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{
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{
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"structure_string": "Na1 Co4 Bi1 O12\n1.0\n0.000000 -3.552251 -3.888417\n0.000000 -3.552251 3.888417\n-7.247267 0.000000 0.000000\nNa Co Bi O\n1 4 1 12\ndirect\n0.012249 0.987751 0.500000 Na\n0.501955 0.010263 0.254739 Co\n0.501955 0.010263 0.745261 Co\n0.989737 0.498045 0.745261 Co\n0.989737 0.498045 0.254739 Co\n0.487933 0.512067 -0.000000 Bi\n0.296963 0.294617 0.230034 O\n0.705383 0.703037 0.230034 O\n0.705383 0.703037 0.769966 O\n0.296963 0.294617 0.769966 O\n0.236008 0.763992 0.176681 O\n0.787247 0.212753 0.311584 O\n0.787247 0.212753 0.688415 O\n0.236008 0.763992 0.823319 O\n0.568401 0.081234 -0.000000 O\n0.434759 0.961895 0.500000 O\n0.918766 0.431599 -0.000000 O\n0.038105 0.565241 0.500000 O\n",
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{
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{
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"structure_string": "Ca4 Al6 W1 O16\n1.0\n0.000000 5.335339 5.870278\n5.235061 0.000000 5.870278\n5.235061 5.335339 0.000000\nCa Al W O\n4 6 1 16\ndirect\n0.662914 0.950133 0.337086 Ca\n0.382358 0.617642 0.999471 Ca\n0.049867 0.337086 0.950133 Ca\n0.000529 0.999471 0.617642 Ca\n0.494996 0.204060 0.855188 Al\n0.445755 0.855188 0.204060 Al\n0.795940 0.505004 0.554245 Al\n0.190454 0.309546 0.309546 Al\n0.690454 0.809546 0.809546 Al\n0.144812 0.554245 0.505004 Al\n0.615285 0.384715 0.384715 W\n0.713342 0.067666 0.534568 O\n0.629176 0.712807 0.682878 O\n0.975140 0.682878 0.712807 O\n0.362087 0.385375 0.637913 O\n0.684424 0.534568 0.067666 O\n0.614625 0.637913 0.385375 O\n0.057985 0.317042 0.614824 O\n0.682958 0.942015 0.989851 O\n0.932334 0.286658 0.315576 O\n0.287193 0.370824 0.024860 O\n0.465432 0.315576 0.286658 O\n0.010149 0.614824 0.317042 O\n0.687106 0.312894 0.696612 O\n0.385176 0.989851 0.942015 O\n0.317122 0.024860 0.370824 O\n0.303388 0.696612 0.312894 O\n",
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{
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"structure_string": "Na2 Sr2 P6 O18\n1.0\n6.905743 0.000000 0.000000\n0.913441 7.200373 0.000000\n1.293665 0.686136 7.707622\nNa Sr P O\n2 2 6 18\ndirect\n0.465635 0.368664 0.342309 Na\n0.534365 0.631336 0.657691 Na\n0.011244 0.732350 0.643134 Sr\n0.988756 0.267650 0.356866 Sr\n0.834030 0.789231 0.271644 P\n0.165970 0.210769 0.728356 P\n0.798656 0.335632 0.943287 P\n0.201344 0.664368 0.056713 P\n0.602875 0.120105 0.724772 P\n0.397125 0.879895 0.275228 P\n0.087988 0.055323 0.657552 O\n0.912012 0.944677 0.342448 O\n0.368535 0.147274 0.801293 O\n0.631465 0.852726 0.198707 O\n0.178768 0.384602 0.602916 O\n0.821232 0.615398 0.397084 O\n0.031681 0.253076 0.912165 O\n0.968319 0.746924 0.087835 O\n0.749132 0.342610 0.135915 O\n0.250868 0.657390 0.864085 O\n0.771841 0.508737 0.823122 O\n0.228159 0.491263 0.176878 O\n0.687454 0.170899 0.892724 O\n0.312546 0.829101 0.107276 O\n0.646807 0.263993 0.574049 O\n0.353193 0.736007 0.425951 O\n0.662612 0.917525 0.703949 O\n0.337388 0.082475 0.296051 O\n",
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{
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{
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{
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"formula_full": "Sb4 Te4 N36 F24",
"formula_reduced": "SbTe(N3F2)3",
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"updated_at": "2021-11-28T01:38:09.963000Z",
"spacegroup": 14
},
{
"id": "mp-553248",
"created_at": "2022-09-04T14:47:29.419908Z",
"structure_string": "Cs1 La1 Nb2 O7\n1.0\n3.952105 0.000000 0.000000\n0.000000 3.952105 0.000000\n0.000000 0.000000 11.503833\nCs La Nb O\n1 1 2 7\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.198177 Nb\n0.500000 0.500000 0.801823 Nb\n0.500000 0.500000 0.644568 O\n0.000000 0.500000 0.160970 O\n0.500000 0.000000 0.160970 O\n0.000000 0.500000 0.839030 O\n0.500000 0.000000 0.839030 O\n0.500000 0.500000 0.355432 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 179.6799083471451,
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"formula_full": "Cs1 La1 Nb2 O7",
"formula_reduced": "CsLaNb2O7",
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"energy": -95.82496059999998,
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"updated_at": "2021-11-28T01:38:09.787000Z",
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},
{
"id": "mp-1208711",
"created_at": "2022-09-04T14:47:29.426544Z",
"structure_string": "Sm4 Br8\n1.0\n3.970520 0.000000 0.000000\n0.000000 7.071918 0.000000\n0.000000 0.000000 15.169980\nSm Br\n4 8\ndirect\n0.250000 0.788900 0.001142 Sm\n0.750000 0.211100 0.998858 Sm\n0.750000 0.711100 0.501142 Sm\n0.250000 0.288900 0.498858 Sm\n0.250000 0.592058 0.636413 Br\n0.750000 0.407942 0.363587 Br\n0.750000 0.907942 0.136413 Br\n0.250000 0.092058 0.863587 Br\n0.250000 0.423773 0.106892 Br\n0.750000 0.576227 0.893108 Br\n0.750000 0.076227 0.606892 Br\n0.250000 0.923773 0.393108 Br\n",
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],
"chemical_system": "Br-Sm",
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"formula_full": "Sm4 Br8",
"formula_reduced": "SmBr2",
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{
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"structure_string": "Mn2 In1 Cu1 Se4\n1.0\n-2.821510 2.821510 5.578386\n2.821510 -2.821510 5.578386\n2.821510 2.821510 -5.578386\nMn In Cu Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.918147 0.371756 0.000000 Se\n0.081853 0.081853 0.453609 Se\n0.628244 0.628244 0.546391 Se\n0.371756 0.918147 0.000000 Se\n",
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"formula_full": "Mn2 In1 Cu1 Se4",
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}
]
}