{
 "id": "mod:sr2co0.8mg0.2teo6.i2m.300k.orayech2015",
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  {
   "timestamp": "2026-09-30T05:59:03+00:00",
   "user": "perovskite-atlas/fer_export.py",
   "description": "Mode decomposition. Generated from atlas records at git 98609f0."
  }
 ],
 "description": "Symmetry-mode decomposition of Sr2Co0.8Mg0.2TeO6 at 300 K",
 "correct": true,
 "state": [
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   "name": "temperature",
   "description": "conditions of the refined structure",
   "quantity_value": {
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    "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": [
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   "id": "mod:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#amplitudes",
   "name": "Symmetry-mode amplitudes by irrep",
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    "GM3+",
    "GM4+",
    "GM5+"
   ],
   "symbols": [
    "$A(GM1+)$",
    "$A(GM3+)$",
    "$A(GM4+)$",
    "$A(GM5+)$"
   ],
   "units": [
    "Å",
    "Å",
    "Å",
    "Å"
   ],
   "values": [
    [
     0.0622
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    [
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    ],
    [
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    [
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   ],
   "standard_uncertainties": [
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    ],
    [
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   ],
   "atlas": {
    "uncertainty_reported": [
     true,
     true,
     true,
     true
    ],
    "reported_as": [
     "0.0622(3)",
     "0.0943(1)",
     "0.5741(3)",
     "0.0765(5)"
    ]
   }
  }
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 "measurands": [
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 "source": {
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  "name": "Symmetry-mode decomposition (AMPLIMODES)",
  "description": "",
  "model": "Projection of the refined structure onto symmetry-adapted modes of the parent Fm-3m; transformation a+b, -a+b, c (Table 9.1; origin shift as given there); normalization amplimodes-cell",
  "influence_quantities": [],
  "input_quantities": [
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      "timestamp": "2026-09-30T05:59:03+00:00",
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     }
    ],
    "description": "Refined crystal structure of Sr2Co0.8Mg0.2TeO6 at 300 K, I2/m",
    "correct": true,
    "state": [
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      "description": "conditions of the refined structure",
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       "quantities": [
        "Temperature"
       ],
       "symbols": [
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       "units": [
        "K"
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       "standard_uncertainties": [
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         0.0
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       ],
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        "uncertainty_reported": [
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       }
      }
     }
    ],
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      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#cell",
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      "description": "Cell parameters, space group I2/m (No. 12)",
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       "c",
       "alpha",
       "beta",
       "gamma"
      ],
      "symbols": [
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       "$b$",
       "$c$",
       "$\\alpha$",
       "$\\beta$",
       "$\\gamma$"
      ],
      "units": [
       "Å",
       "Å",
       "Å",
       "°",
       "°",
       "°"
      ],
      "values": [
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       [
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       [
        90.0
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      "standard_uncertainties": [
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       [
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      ],
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        true,
        true,
        false,
        true,
        false
       ],
       "reported_as": [
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        "5.5986(4)",
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        "90",
        "89.985(6)",
        "90"
       ]
      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#volume",
      "name": "Cell volume",
      "description": "",
      "quantities": [
       "V"
      ],
      "symbols": [
       "$V$"
      ],
      "units": [
       "Å^3"
      ],
      "values": [
       [
        249.28
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      ],
      "standard_uncertainties": [
       [
        0.03
       ]
      ],
      "atlas": {
       "uncertainty_reported": [
        true
       ],
       "reported_as": [
        "249.28(3)"
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      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#atom:Sr",
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      "quantities": [
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       "z",
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      "symbols": [
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       "$y$",
       "$z$",
       "$B_{\\mathrm{iso}}$"
      ],
      "units": [
       "1",
       "1",
       "1",
       "Å^2"
      ],
      "values": [
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        0.001
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       [
        0.5
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       [
        -0.7533
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       [
        0.94
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      ],
      "standard_uncertainties": [
       [
        0.003
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       [
        0.0
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       [
        0.0007
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       [
        0.02
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      ],
      "atlas": {
       "uncertainty_reported": [
        true,
        false,
        true,
        true
       ],
       "reported_as": [
        "0.001(3)",
        "0.5",
        "-0.7533(7)",
        "0.94(2)"
       ]
      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#atom:O1",
      "name": "Atom O1 (O, Wyckoff 8j)",
      "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": [
       [
        0.223
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       [
        0.271
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       [
        -0.023
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       [
        1.06
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      ],
      "standard_uncertainties": [
       [
        0.004
       ],
       [
        0.004
       ],
       [
        0.004
       ],
       [
        0.0
       ]
      ],
      "atlas": {
       "uncertainty_reported": [
        true,
        true,
        true,
        false
       ],
       "reported_as": [
        "0.223(4)",
        "0.271(4)",
        "-0.023(4)",
        "1.06"
       ]
      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#atom:O2",
      "name": "Atom O2 (O, Wyckoff 4i)",
      "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": [
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        0.057
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       [
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       [
        -0.743
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       [
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      "standard_uncertainties": [
       [
        0.007
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       [
        0.0
       ],
       [
        0.004
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       [
        0.0
       ]
      ],
      "atlas": {
       "uncertainty_reported": [
        true,
        false,
        true,
        false
       ],
       "reported_as": [
        "0.057(7)",
        "0",
        "-0.743(4)",
        "1.06"
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      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#atom:Te",
      "name": "Atom Te (Te, Wyckoff 2a)",
      "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": [
       [
        0.0
       ],
       [
        0.0
       ],
       [
        0.0
       ],
       [
        1.62
       ]
      ],
      "standard_uncertainties": [
       [
        0.0
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       [
        0.0
       ],
       [
        0.0
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       [
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      ],
      "atlas": {
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        false,
        false,
        true
       ],
       "reported_as": [
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        "0",
        "0",
        "1.62(2)"
       ]
      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#atom:Co/Mg",
      "name": "Atom Co/Mg (Co, Wyckoff 2d)",
      "description": "Fractional coordinates and isotropic displacement; occupancy 0.8/0.2 (Co/Mg)",
      "quantities": [
       "x",
       "y",
       "z",
       "B_iso"
      ],
      "symbols": [
       "$x$",
       "$y$",
       "$z$",
       "$B_{\\mathrm{iso}}$"
      ],
      "units": [
       "1",
       "1",
       "1",
       "Å^2"
      ],
      "values": [
       [
        0.0
       ],
       [
        0.0
       ],
       [
        0.5
       ],
       [
        1.62
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      ],
      "standard_uncertainties": [
       [
        0.0
       ],
       [
        0.0
       ],
       [
        0.0
       ],
       [
        0.02
       ]
      ],
      "atlas": {
       "uncertainty_reported": [
        false,
        false,
        false,
        true
       ],
       "reported_as": [
        "0",
        "0",
        "0.5",
        "1.62(2)"
       ]
      }
     },
     {
      "id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#reliability",
      "name": "Rietveld reliability factors",
      "description": "As reported; no uncertainties",
      "quantities": [
       "chi2"
      ],
      "symbols": [
       "$\\chi^2$"
      ],
      "units": [
       "1"
      ],
      "values": [
       [
        6.57
       ]
      ],
      "standard_uncertainties": [
       [
        0.0
       ]
      ],
      "atlas": {
       "uncertainty_reported": [
        false
       ],
       "reported_as": [
        "6.57"
       ]
      }
     }
    ],
    "measurands": [
     "unit cell",
     "atomic coordinates",
     "displacement parameters"
    ],
    "source": {
     "id": "ref:sr2co0.8mg0.2teo6.i2m.300k.orayech2015.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:sr2co0.8mg0.2teo6.i2m.300k.orayech2015#T",
       "name": "Temperature",
       "description": "Temperature of the measurement as reported (uncertainty not reported)",
       "quantities": [
        "Temperature"
       ],
       "symbols": [
        "$T$"
       ],
       "units": [
        "K"
       ],
       "values": [
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         300.0
        ]
       ],
       "standard_uncertainties": [
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         0.0
        ]
       ],
       "atlas": {
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        ],
        "reported_as": [
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        ]
       }
      }
     ],
     "input_quantities": [
      {
       "id": "dat:sr2co0.8mg0.2teo6.orayech2015.xrpd.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": "XRPD pattern of mat:sr2co0.8mg0.2teo6 at 300 K on Laboratory X-ray powder diffractometer (Cu Kα) (UPV/EHU)",
       "correct": true,
       "state": [],
       "results": [],
       "measurands": [
        "diffraction pattern"
       ],
       "source": {
        "id": "ins:lab-xrd",
        "name": "Laboratory X-ray powder diffractometer (Cu Kα)",
        "description": "",
        "model": "powder diffraction",
        "influence_quantities": [],
        "input_quantities": []
       },
       "atlas": {
        "record_id": "dat:sr2co0.8mg0.2teo6.orayech2015.xrpd.rt",
        "status": "published",
        "evidence": [
         {
          "doc": "doc:thesis-04",
          "md_line": 2002,
          "table": "9.3",
          "status": "thesis-only",
          "cell": {
           "col": "Sr2Co0.8Mg0.2TeO6"
          }
         }
        ],
        "atlas_schema_version": "0.1",
        "note": "raw pattern not yet attached; results are empty by design until data rescue"
       }
      }
     ]
    },
    "atlas": {
     "record_id": "str:sr2co0.8mg0.2teo6.i2m.300k.orayech2015",
     "status": "published",
     "evidence": [
      {
       "doc": "doc:thesis-04",
       "md_line": 2002,
       "table": "9.3",
       "status": "thesis-only",
       "cell": {
        "col": "Sr2Co0.8Mg0.2TeO6"
       }
      }
     ],
     "atlas_schema_version": "0.1",
     "refinement": {
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      "status": "published",
      "evidence": [
       {
        "doc": "doc:thesis-04",
        "md_line": 2002,
        "table": "9.3",
        "status": "thesis-only",
        "cell": {
         "col": "Sr2Co0.8Mg0.2TeO6"
        }
       }
      ],
      "atlas_schema_version": "0.1"
     }
    }
   }
  ]
 },
 "atlas": {
  "record_id": "mod:sr2co0.8mg0.2teo6.i2m.300k.orayech2015",
  "status": "published",
  "evidence": [
   {
    "doc": "doc:thesis-04",
    "md_line": 1981,
    "table": "9.2",
    "status": "thesis-only",
    "cell": {
     "col": "Sr2Co0.8Mg0.2TeO6"
    }
   },
   {
    "doc": "doc:thesis-04",
    "md_line": 1953,
    "table": "9.1",
    "status": "thesis-only",
    "note": "parent structure and transformation"
   }
  ],
  "atlas_schema_version": "0.1",
  "irreps": [
   {
    "label": "GM1+",
    "k_vector": "(0,0,0)",
    "dimension": 1,
    "isotropy_subgroup": "Fm-3m",
    "amplitude": "0.0622(3)"
   },
   {
    "label": "GM3+",
    "k_vector": "(0,0,0)",
    "dimension": 1,
    "isotropy_subgroup": "I4/mmm",
    "amplitude": "0.0943(1)"
   },
   {
    "label": "GM4+",
    "k_vector": "(0,0,0)",
    "dimension": 1,
    "isotropy_subgroup": "C2/m",
    "amplitude": "0.5741(3)",
    "primary": true,
    "physical": "octahedral rotation about the monoclinic b axis (pseudo-cubic [110])"
   },
   {
    "label": "GM5+",
    "k_vector": "(0,0,0)",
    "dimension": 4,
    "isotropy_subgroup": "C2/m",
    "amplitude": "0.0765(5)"
   }
  ]
 }
}