Reported geometry of SrNdZnRuO6 at 300 K

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          "87.4(3)",
          "90.2(1)",
          "90.2(3)",
          "158.7(2)",
          "152.6(4)",
          "155.6(2)"
        ]
      }
    },
    {
      "id": "fnd:srndznruo6.p21n.300k.iturbe2012.geometry#tilts",
      "name": "Octahedral tilt angles",
      "description": "",
      "quantities": [
        "ψ_[001]p",
        "φ_[110]p"
      ],
      "symbols": [
        "ψ_[001]p",
        "φ_[110]p"
      ],
      "units": [
        "°",
        "°"
      ],
      "values": [
        [
          7.0
        ],
        [
          12.6
        ]
      ],
      "standard_uncertainties": [
        [
          0.09
        ],
        [
          0.2
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true
        ],
        "reported_as": [
          "7.00(9)",
          "12.6(2)"
        ]
      }
    },
    {
      "id": "fnd:srndznruo6.p21n.300k.iturbe2012.geometry#bvs",
      "name": "Bond-valence sums",
      "description": "",
      "quantities": [
        "M",
        "Ru"
      ],
      "symbols": [
        "$V(M)$",
        "$V(Ru)$"
      ],
      "units": [
        "1",
        "1"
      ],
      "values": [
        [
          2.37
        ],
        [
          4.82
        ]
      ],
      "standard_uncertainties": [
        [
          0.01
        ],
        [
          0.03
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true
        ],
        "reported_as": [
          "2.37(1)",
          "4.82(3)"
        ]
      }
    },
    {
      "id": "fnd:srndznruo6.p21n.300k.iturbe2012.geometry#octahedron:MO6",
      "name": "Octahedron MO6",
      "description": "",
      "quantities": [
        "volume",
        "average_bond",
        "predicted_bond"
      ],
      "symbols": [
        "$volume$",
        "$average_bond$",
        "$predicted_bond$"
      ],
      "units": [
        "Å^3",
        "Å",
        "Å"
      ],
      "values": [
        [
          11.43
        ],
        [
          2.049
        ],
        [
          2.1105
        ]
      ],
      "standard_uncertainties": [
        [
          0.01
        ],
        [
          0.002
        ],
        [
          0.0
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          false
        ],
        "reported_as": [
          "11.43(1)",
          "2.049(2)",
          "2.1105"
        ]
      }
    },
    {
      "id": "fnd:srndznruo6.p21n.300k.iturbe2012.geometry#octahedron:RuO6",
      "name": "Octahedron RuO6",
      "description": "",
      "quantities": [
        "volume",
        "average_bond",
        "predicted_bond"
      ],
      "symbols": [
        "$volume$",
        "$average_bond$",
        "$predicted_bond$"
      ],
      "units": [
        "Å^3",
        "Å",
        "Å"
      ],
      "values": [
        [
          10.37
        ],
        [
          1.982
        ],
        [
          1.9675
        ]
      ],
      "standard_uncertainties": [
        [
          0.01
        ],
        [
          0.002
        ],
        [
          0.0
        ]
      ],
      "atlas": {
        "uncertainty_reported": [
          true,
          true,
          false
        ],
        "reported_as": [
          "10.37(1)",
          "1.982(2)",
          "1.9675"
        ]
      }
    }
  ],
  "measurands": [
    "bond lengths",
    "bond angles",
    "bond-valence sums"
  ],
  "source": {
    "id": "fnd:srndznruo6.p21n.300k.iturbe2012.geometry#derivation",
    "name": "Geometry derived from the refined structure",
    "description": "",
    "model": "Interatomic distances, angles and bond-valence sums computed from the refined coordinates and cell (as reported in the source document)",
    "influence_quantities": [],
    "input_quantities": [
      {
        "id": "str:srndznruo6.p21n.300k.iturbe2012",
        "changelog": [
          {
            "timestamp": "2026-09-30T05:59:03+00:00",
            "user": "perovskite-atlas/fer_export.py",
            "description": "Refined structure. Generated from atlas records at git 98609f0."
          }
        ],
        "description": "Refined crystal structure of SrNdZnRuO6 at 300 K, P2_1/n",
        "correct": true,
        "state": [
          {
            "name": "temperature",
            "description": "conditions of the refined structure",
            "quantity_value": {
              "id": "str:srndznruo6.p21n.300k.iturbe2012#T",
              "name": "Temperature",
              "description": "Temperature of the measurement as reported (uncertainty not reported)",
              "quantities": [
                "Temperature"
              ],
              "symbols": [
                "$T$"
              ],
              "units": [
                "K"
              ],
              "values": [
                [
                  300.0
                ]
              ],
              "standard_uncertainties": [
                [
                  0.0
                ]
              ],
              "atlas": {
                "uncertainty_reported": [
                  false
                ],
                "reported_as": [
                  "300"
                ]
              }
            }
          }
        ],
        "results": [
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#cell",
            "name": "Unit cell",
            "description": "Cell parameters, space group P2_1/n (No. 14)",
            "quantities": [
              "a",
              "b",
              "c",
              "alpha",
              "beta",
              "gamma"
            ],
            "symbols": [
              "$a$",
              "$b$",
              "$c$",
              "$\\alpha$",
              "$\\beta$",
              "$\\gamma$"
            ],
            "units": [
              "Å",
              "Å",
              "Å",
              "°",
              "°",
              "°"
            ],
            "values": [
              [
                5.557
              ],
              [
                5.5932
              ],
              [
                7.8647
              ],
              [
                90.0
              ],
              [
                90.013
              ],
              [
                90.0
              ]
            ],
            "standard_uncertainties": [
              [
                0.0001
              ],
              [
                0.0001
              ],
              [
                0.0002
              ],
              [
                0.0
              ],
              [
                0.008
              ],
              [
                0.0
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                true,
                true,
                true,
                false,
                true,
                false
              ],
              "reported_as": [
                "5.5570(1)",
                "5.5932(1)",
                "7.8647(2)",
                "90",
                "90.013(8)",
                "90"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#volume",
            "name": "Cell volume",
            "description": "",
            "quantities": [
              "V"
            ],
            "symbols": [
              "$V$"
            ],
            "units": [
              "Å^3"
            ],
            "values": [
              [
                244.45
              ]
            ],
            "standard_uncertainties": [
              [
                0.01
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                true
              ],
              "reported_as": [
                "244.45(1)"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#atom:Sr/Nd",
            "name": "Atom Sr/Nd (Sr, Wyckoff 4e)",
            "description": "Fractional coordinates and isotropic displacement; occupancy 0.5/0.5 (Sr/Nd)",
            "quantities": [
              "x",
              "y",
              "z",
              "B_iso"
            ],
            "symbols": [
              "$x$",
              "$y$",
              "$z$",
              "$B_{\\mathrm{iso}}$"
            ],
            "units": [
              "1",
              "1",
              "1",
              "Å^2"
            ],
            "values": [
              [
                -0.0066
              ],
              [
                0.4645
              ],
              [
                0.75
              ],
              [
                0.27
              ]
            ],
            "standard_uncertainties": [
              [
                0.0005
              ],
              [
                0.0002
              ],
              [
                0.001
              ],
              [
                0.02
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                true,
                true,
                true,
                true
              ],
              "reported_as": [
                "-0.0066(5)",
                "0.4645(2)",
                "0.750(1)",
                "0.27(2)"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#atom:O1",
            "name": "Atom O1 (O, Wyckoff 4e)",
            "description": "Fractional coordinates and isotropic displacement; occupancy 1",
            "quantities": [
              "x",
              "y",
              "z",
              "B_iso"
            ],
            "symbols": [
              "$x$",
              "$y$",
              "$z$",
              "$B_{\\mathrm{iso}}$"
            ],
            "units": [
              "1",
              "1",
              "1",
              "Å^2"
            ],
            "values": [
              [
                -0.2771
              ],
              [
                0.2168
              ],
              [
                -0.0362
              ],
              [
                0.71
              ]
            ],
            "standard_uncertainties": [
              [
                0.0007
              ],
              [
                0.0007
              ],
              [
                0.0007
              ],
              [
                0.02
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                true,
                true,
                true,
                true
              ],
              "reported_as": [
                "-0.2771(7)",
                "0.2168(7)",
                "-0.0362(7)",
                "0.71(2)"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#atom:O2",
            "name": "Atom O2 (O, Wyckoff 4e)",
            "description": "Fractional coordinates and isotropic displacement; occupancy 1",
            "quantities": [
              "x",
              "y",
              "z",
              "B_iso"
            ],
            "symbols": [
              "$x$",
              "$y$",
              "$z$",
              "$B_{\\mathrm{iso}}$"
            ],
            "units": [
              "1",
              "1",
              "1",
              "Å^2"
            ],
            "values": [
              [
                -0.7982
              ],
              [
                0.2942
              ],
              [
                0.04
              ],
              [
                0.71
              ]
            ],
            "standard_uncertainties": [
              [
                0.0007
              ],
              [
                0.0007
              ],
              [
                0.0007
              ],
              [
                0.02
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                true,
                true,
                true,
                true
              ],
              "reported_as": [
                "-0.7982(7)",
                "0.2942(7)",
                "0.0400(7)",
                "0.71(2)"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#atom:O3",
            "name": "Atom O3 (O, Wyckoff 4e)",
            "description": "Fractional coordinates and isotropic displacement; occupancy 1",
            "quantities": [
              "x",
              "y",
              "z",
              "B_iso"
            ],
            "symbols": [
              "$x$",
              "$y$",
              "$z$",
              "$B_{\\mathrm{iso}}$"
            ],
            "units": [
              "1",
              "1",
              "1",
              "Å^2"
            ],
            "values": [
              [
                0.0753
              ],
              [
                0.0128
              ],
              [
                0.758
              ],
              [
                0.71
              ]
            ],
            "standard_uncertainties": [
              [
                0.0004
              ],
              [
                0.00030000000000000003
              ],
              [
                0.0008
              ],
              [
                0.02
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                true,
                true,
                true,
                true
              ],
              "reported_as": [
                "0.0753(4)",
                "0.0128(3)",
                "0.7580(8)",
                "0.71(2)"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#atom:Ru",
            "name": "Atom Ru (Ru, Wyckoff 2a)",
            "description": "Fractional coordinates and isotropic displacement; occupancy 1; B_iso fixed",
            "quantities": [
              "x",
              "y",
              "z",
              "B_iso"
            ],
            "symbols": [
              "$x$",
              "$y$",
              "$z$",
              "$B_{\\mathrm{iso}}$"
            ],
            "units": [
              "1",
              "1",
              "1",
              "Å^2"
            ],
            "values": [
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.5
              ]
            ],
            "standard_uncertainties": [
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                false,
                false,
                false,
                false
              ],
              "reported_as": [
                "0",
                "0",
                "0",
                "0.5"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#atom:Zn",
            "name": "Atom Zn (Zn, Wyckoff 2b)",
            "description": "Fractional coordinates and isotropic displacement; occupancy 1; B_iso fixed",
            "quantities": [
              "x",
              "y",
              "z",
              "B_iso"
            ],
            "symbols": [
              "$x$",
              "$y$",
              "$z$",
              "$B_{\\mathrm{iso}}$"
            ],
            "units": [
              "1",
              "1",
              "1",
              "Å^2"
            ],
            "values": [
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.5
              ]
            ],
            "standard_uncertainties": [
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                false,
                false,
                false,
                false
              ],
              "reported_as": [
                "0",
                "0",
                "0",
                "0.5"
              ]
            }
          },
          {
            "id": "str:srndznruo6.p21n.300k.iturbe2012#reliability",
            "name": "Rietveld reliability factors",
            "description": "As reported; no uncertainties",
            "quantities": [
              "r_p",
              "r_wp",
              "r_exp",
              "r_bragg",
              "chi2"
            ],
            "symbols": [
              "$R_p$",
              "$R_{wp}$",
              "$R_{exp}$",
              "$R_{Bragg}$",
              "$\\chi^2$"
            ],
            "units": [
              "%",
              "%",
              "%",
              "%",
              "1"
            ],
            "values": [
              [
                3.82
              ],
              [
                4.77
              ],
              [
                2.36
              ],
              [
                6.33
              ],
              [
                4.08
              ]
            ],
            "standard_uncertainties": [
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ],
              [
                0.0
              ]
            ],
            "atlas": {
              "uncertainty_reported": [
                false,
                false,
                false,
                false,
                false
              ],
              "reported_as": [
                "3.82",
                "4.77",
                "2.36",
                "6.33",
                "4.08"
              ]
            }
          }
        ],
        "measurands": [
          "unit cell",
          "atomic coordinates",
          "displacement parameters"
        ],
        "source": {
          "id": "ref:srndznruo6.p21n.300k.iturbe2012.all-modes",
          "name": "Rietveld refinement (FullProf, symmetry-mode)",
          "description": "",
          "model": "Least-squares Rietveld refinement of the powder pattern; symmetry-mode parametrisation where method = symmetry-mode; variant all-modes",
          "influence_quantities": [
            {
              "id": "str:srndznruo6.p21n.300k.iturbe2012#T",
              "name": "Temperature",
              "description": "Temperature of the measurement as reported (uncertainty not reported)",
              "quantities": [
                "Temperature"
              ],
              "symbols": [
                "$T$"
              ],
              "units": [
                "K"
              ],
              "values": [
                [
                  300.0
                ]
              ],
              "standard_uncertainties": [
                [
                  0.0
                ]
              ],
              "atlas": {
                "uncertainty_reported": [
                  false
                ],
                "reported_as": [
                  "300"
                ]
              }
            }
          ],
          "input_quantities": [
            {
              "id": "dat:srndznruo6.iturbe2012.npd.rt",
              "changelog": [
                {
                  "timestamp": "2026-09-30T05:59:03+00:00",
                  "user": "perovskite-atlas/fer_export.py",
                  "description": "Dataset stub. Generated from atlas records at git 98609f0."
                }
              ],
              "description": "NPD pattern of mat:srndznruo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)",
              "correct": true,
              "state": [],
              "results": [],
              "measurands": [
                "diffraction pattern"
              ],
              "source": {
                "id": "ins:ill-d2b",
                "name": "D2B high-resolution neutron powder diffractometer",
                "description": "",
                "model": "powder diffraction",
                "influence_quantities": [],
                "input_quantities": []
              },
              "atlas": {
                "record_id": "dat:srndznruo6.iturbe2012.npd.rt",
                "status": "published",
                "evidence": [
                  {
                    "doc": "doc:thesis-03",
                    "md_line": 950,
                    "table": "5.1",
                    "status": "thesis-only",
                    "cell": {
                      "col": "SrNdZnRuO6"
                    }
                  }
                ],
                "atlas_schema_version": "0.1",
                "note": "raw pattern not yet attached; results are empty by design until data rescue"
              }
            }
          ]
        },
        "atlas": {
          "record_id": "str:srndznruo6.p21n.300k.iturbe2012",
          "status": "published",
          "evidence": [
            {
              "doc": "doc:thesis-03",
              "md_line": 950,
              "table": "5.1",
              "status": "thesis-only",
              "cell": {
                "col": "SrNdZnRuO6"
              }
            }
          ],
          "atlas_schema_version": "0.1",
          "refinement": {
            "record_id": "ref:srndznruo6.p21n.300k.iturbe2012.all-modes",
            "status": "published",
            "evidence": [
              {
                "doc": "doc:thesis-03",
                "md_line": 950,
                "table": "5.1",
                "status": "thesis-only",
                "cell": {
                  "col": "SrNdZnRuO6"
                }
              }
            ],
            "atlas_schema_version": "0.1"
          }
        }
      }
    ]
  },
  "atlas": {
    "record_id": "fnd:srndznruo6.p21n.300k.iturbe2012.geometry",
    "status": "published",
    "evidence": [
      {
        "doc": "doc:thesis-03",
        "md_line": 998,
        "table": "5.2",
        "status": "thesis-only",
        "cell": {
          "col": "Zn"
        }
      }
    ],
    "atlas_schema_version": "0.1"
  }
}

id fnd:srndznruo6.p21n.300k.iturbe2012.geometry · correct true · measurands bond lengths, bond angles, bond-valence sums

Open in the atlas Download fer JSON

State

Temperature · Temperature of the measurement as reported (uncertainty not reported)

quantity	symbol	value	u (standard)	unit
Temperature	T	300	0	K	not reported

Results

Bond lengths

quantity	symbol	value	u (standard)	unit
M-O1(×2)	d(M-O1(×2))	2.031	0.004	Å
M-O2(×2)	d(M-O2(×2))	2.042	0.004	Å
M-O3(×2)	d(M-O3(×2))	2.073	0.006	Å
Ru-O1(×2)	d(Ru-O1(×2))	1.981	0.004	Å
Ru-O2(×2)	d(Ru-O2(×2))	2.016	0.004	Å
Ru-O3(×2)	d(Ru-O3(×2))	1.951	0.006	Å

Bond angles

quantity	symbol	value	u (standard)	unit
O1-M-O2	\angle(O1-M-O2)	94.4	0.3	°
O1-M-O3	\angle(O1-M-O3)	90.7	0.1	°
O2-M-O3	\angle(O2-M-O3)	90.4	0.3	°
O1-Ru-O2	\angle(O1-Ru-O2)	87.4	0.3	°
O1-Ru-O3	\angle(O1-Ru-O3)	90.2	0.1	°
O2-Ru-O3	\angle(O2-Ru-O3)	90.2	0.3	°
M-O1-Ru	\angle(M-O1-Ru)	158.7	0.2	°
M-O2-Ru	\angle(M-O2-Ru)	152.6	0.4	°
M-O3-Ru	\angle(M-O3-Ru)	155.6	0.2	°

Octahedral tilt angles

quantity	symbol	value	u (standard)	unit
ψ_[001]p	ψ_[001]p	7.00	0.09	°
φ_[110]p	φ_[110]p	12.6	0.2	°

Bond-valence sums

quantity	symbol	value	u (standard)	unit
M	V(M)	2.37	0.01
Ru	V(Ru)	4.82	0.03

Octahedron MO6

quantity	symbol	value	u (standard)	unit
volume	volume	11.43	0.01	Å³
average_bond	average_bond	2.049	0.002	Å
predicted_bond	predicted_bond	2.1105	0	Å	not reported

Octahedron RuO6

quantity	symbol	value	u (standard)	unit
volume	volume	10.37	0.01	Å³
average_bond	average_bond	1.982	0.002	Å
predicted_bond	predicted_bond	1.9675	0	Å	not reported

Source

Geometry derived from the refined structure · model: Interatomic distances, angles and bond-valence sums computed from the refined coordinates and cell (as reported in the source document)

Input quantities

str:srndznruo6.p21n.300k.iturbe2012 · Refined crystal structure of SrNdZnRuO6 at 300 K, P2_1/n · own page

id str:srndznruo6.p21n.300k.iturbe2012 · correct true · measurands unit cell, atomic coordinates, displacement parameters

State

Temperature · Temperature of the measurement as reported (uncertainty not reported)

quantity	symbol	value	u (standard)	unit
Temperature	T	300	0	K	not reported

Results

Unit cell · Cell parameters, space group P2_1/n (No. 14)

quantity	symbol	value	u (standard)	unit
a	a	5.5570	0.0001	Å
b	b	5.5932	0.0001	Å
c	c	7.8647	0.0002	Å
alpha	\alpha	90	0	°	not reported
beta	\beta	90.013	0.008	°
gamma	\gamma	90	0	°	not reported

Cell volume

quantity	symbol	value	u (standard)	unit
V	V	244.45	0.01	Å³

Atom Sr/Nd (Sr, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 0.5/0.5 (Sr/Nd)

quantity	symbol	value	u (standard)	unit
x	x	-0.0066	0.0005
y	y	0.4645	0.0002
z	z	0.750	0.001
B_iso	B_{\mathrm{iso}}	0.27	0.02	Å²

Atom O1 (O, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	-0.2771	0.0007
y	y	0.2168	0.0007
z	z	-0.0362	0.0007
B_iso	B_{\mathrm{iso}}	0.71	0.02	Å²

Atom O2 (O, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	-0.7982	0.0007
y	y	0.2942	0.0007
z	z	0.0400	0.0007
B_iso	B_{\mathrm{iso}}	0.71	0.02	Å²

Atom O3 (O, Wyckoff 4e) · Fractional coordinates and isotropic displacement; occupancy 1

quantity	symbol	value	u (standard)	unit
x	x	0.0753	0.0004
y	y	0.0128	0.0003
z	z	0.7580	0.0008
B_iso	B_{\mathrm{iso}}	0.71	0.02	Å²

Atom Ru (Ru, Wyckoff 2a) · Fractional coordinates and isotropic displacement; occupancy 1; B_iso fixed

quantity	symbol	value	unit
x	x	0		not reported
y	y	0		not reported
z	z	0		not reported
B_iso	B_{\mathrm{iso}}	0.5	Å²	not reported

Atom Zn (Zn, Wyckoff 2b) · Fractional coordinates and isotropic displacement; occupancy 1; B_iso fixed

quantity	symbol	value	unit
x	x	0		not reported
y	y	0		not reported
z	z	0		not reported
B_iso	B_{\mathrm{iso}}	0.5	Å²	not reported

Rietveld reliability factors · As reported; no uncertainties

quantity	symbol	value	unit
r_p	R_p	3.82	%	not reported
r_wp	R_{wp}	4.77	%	not reported
r_exp	R_{exp}	2.36	%	not reported
r_bragg	R_{Bragg}	6.33	%	not reported
chi2	\chi^2	4.08		not reported

Source

Rietveld refinement (FullProf, symmetry-mode) · model: Least-squares Rietveld refinement of the powder pattern; symmetry-mode parametrisation where method = symmetry-mode; variant all-modes

Influence quantities

Temperature · Temperature of the measurement as reported (uncertainty not reported)

quantity	symbol	value	u (standard)	unit
Temperature	T	300	0	K	not reported

Input quantities

dat:srndznruo6.iturbe2012.npd.rt · NPD pattern of mat:srndznruo6 at 300 K on D2B high-resolution neutron powder diffractometer (Institut Laue-Langevin, Grenoble)

id dat:srndznruo6.iturbe2012.npd.rt · correct true · measurands diffraction pattern

Results

Empty (no results attached yet).

Source

D2B high-resolution neutron powder diffractometer · model: powder diffraction

Changelog

timestamp	user	description
2026-09-30T05:59:03+00:00	perovskite-atlas/fer_export.py	Dataset stub. Generated from atlas records at git 98609f0.

Changelog

timestamp	user	description
2026-09-30T05:59:03+00:00	perovskite-atlas/fer_export.py	Refined structure. Generated from atlas records at git 98609f0.

Changelog

timestamp	user	description
2026-09-30T05:59:03+00:00	perovskite-atlas/fer_export.py	Geometry. Generated from atlas records at git 98609f0.

Atlas extension

record fnd:srndznruo6.p21n.300k.iturbe2012.geometry · status published

doc doc:thesis-03 · md_line 998 · table 5.2 · status thesis-only · cell {‘col’: ‘Zn’}