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{
"id": "mp-1226680",
"created_at": "2022-09-04T14:46:01.019267Z",
"structure_string": "Ce2 Fe2 Cu2\n1.0\n-3.785014 -0.111470 -3.581262\n3.785014 -3.581262 -0.111470\n-3.785014 -3.581262 -0.111470\nCe Fe Cu\n2 2 2\ndirect\n0.500000 0.758420 0.741580 Ce\n0.000000 0.991580 0.008420 Ce\n0.250000 0.875000 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n0.750000 0.375000 0.875000 Cu\n0.250000 0.375000 0.375000 Cu\n",
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{
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{
"id": "mp-2067",
"created_at": "2022-09-04T14:46:00.727460Z",
"structure_string": "Th2 Ga4\n1.0\n-2.135756 2.135756 7.384285\n2.135756 -2.135756 7.384285\n2.135756 2.135756 -7.384285\nTh Ga\n2 4\ndirect\n0.500000 0.500000 0.000000 Th\n0.250000 0.750000 0.500000 Th\n0.833211 0.333211 0.500000 Ga\n0.083211 0.083211 0.000000 Ga\n0.666789 0.166789 0.500000 Ga\n0.916789 0.916789 0.000000 Ga\n",
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"volume": 134.7322962904157,
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"formula_full": "Th2 Ga4",
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},
{
"id": "mp-1232271",
"created_at": "2022-09-04T14:45:41.356087Z",
"structure_string": "Pm2 S4\n1.0\n3.942432 0.000000 0.000000\n0.000000 3.942432 0.000000\n0.000000 0.000000 8.180332\nPm S\n2 4\ndirect\n0.000000 0.500000 0.725392 Pm\n0.500000 0.000000 0.274608 Pm\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.000000 S\n0.000000 0.500000 0.366956 S\n0.500000 0.000000 0.633044 S\n",
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"density": 5.462558212807222,
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"formula_full": "Pm2 S4",
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"updated_at": "2021-11-28T01:37:11.604000Z",
"spacegroup": 129
},
{
"id": "mp-1226124",
"created_at": "2022-09-04T14:45:59.196711Z",
"structure_string": "Co1 Cu2 O3\n1.0\n-1.494253 1.494253 6.549175\n1.494253 -1.494253 6.549175\n1.494253 1.494253 -6.549175\nCo Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.334642 0.334642 0.000000 Cu\n0.665358 0.665358 0.000000 Cu\n0.837322 0.837322 0.000000 O\n0.162678 0.162678 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 58.49178292014338,
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"formula_full": "Co1 Cu2 O3",
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"formula_anonymous": "AB2C3",
"energy": -34.78218772,
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"updated_at": "2021-11-28T01:37:19.936000Z",
"spacegroup": 139
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{
"id": "mp-8653",
"created_at": "2022-09-04T14:46:03.218482Z",
"structure_string": "Ce2 Si2 Ru2\n1.0\n4.215574 0.000000 0.000000\n0.000000 4.215574 0.000000\n0.000000 0.000000 6.736706\nCe Si Ru\n2 2 2\ndirect\n0.500000 0.000000 0.679644 Ce\n0.000000 0.500000 0.320356 Ce\n0.500000 0.000000 0.187145 Si\n0.000000 0.500000 0.812855 Si\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n",
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"Ru"
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"density": 7.469791051078486,
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"volume": 119.71843448215986,
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"formula_full": "Ce2 Si2 Ru2",
"formula_reduced": "CeSiRu",
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"energy": -45.71386248,
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"updated_at": "2021-11-28T01:37:20.226000Z",
"spacegroup": 129
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{
"id": "mp-1071422",
"created_at": "2022-09-04T14:45:57.693823Z",
"structure_string": "Ce2 Ag4\n1.0\n-2.489575 3.265021 4.281735\n2.489575 -3.265021 4.281735\n2.489575 3.265021 -4.281735\nCe Ag\n2 4\ndirect\n0.231953 0.481953 0.750000 Ce\n0.768047 0.518047 0.250000 Ce\n0.352681 0.833534 0.519147 Ag\n0.647319 0.166466 0.480853 Ag\n0.185612 0.166466 0.019147 Ag\n0.814388 0.833534 0.980853 Ag\n",
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{
"id": "mp-1206627",
"created_at": "2022-09-04T14:45:57.619324Z",
"structure_string": "Pr1 Zn2 As1 O2\n1.0\n3.598663 0.000000 0.000000\n0.000000 3.598663 0.000000\n0.000000 0.000000 12.480520\nPr Zn As O\n1 2 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 0.182695 Zn\n0.500000 0.500000 0.817305 Zn\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.676376 O\n0.500000 0.500000 0.323624 O\n",
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"formula_full": "Pr1 Zn2 As1 O2",
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"formula_anonymous": "ABC2D2",
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{
"id": "mp-1094576",
"created_at": "2022-09-04T14:45:58.749012Z",
"structure_string": "Li4 Mg2\n1.0\n2.657414 -4.602777 0.000000\n2.657414 4.602777 0.000000\n0.000000 0.000000 5.023369\nLi Mg\n4 2\ndirect\n0.666967 0.000000 0.000000 Li\n0.333033 0.333033 0.000000 Li\n0.000000 0.666967 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n",
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"formula_full": "Li4 Mg2",
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"updated_at": "2021-11-28T01:37:15.812000Z",
"spacegroup": 189
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{
"id": "mp-1215227",
"created_at": "2022-09-04T14:45:58.433180Z",
"structure_string": "Zr1 Ta1 Te4\n1.0\n1.916263 -3.319065 0.000000\n1.916263 3.319065 0.000000\n0.000000 0.000000 14.508207\nZr Ta Te\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.878030 Te\n0.333333 0.666667 0.371320 Te\n0.666667 0.333333 0.628680 Te\n0.666667 0.333333 0.121970 Te\n",
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{
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"structure_string": "Co2 Sb4\n1.0\n3.398553 0.000000 0.000000\n0.000000 5.625834 0.000000\n0.000000 0.000000 6.422020\nCo Sb\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.201054 0.356842 Sb\n0.000000 0.798946 0.643158 Sb\n0.500000 0.701054 0.143158 Sb\n0.500000 0.298946 0.856842 Sb\n",
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{
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"structure_string": "Ho2 O2 F2\n1.0\n6.422564 -1.901514 0.000000\n6.422564 1.901514 0.000000\n5.859587 0.000000 3.245046\nHo O F\n2 2 2\ndirect\n0.259197 0.259197 0.259197 Ho\n0.740803 0.740803 0.740803 Ho\n0.378380 0.378380 0.378380 O\n0.621620 0.621620 0.621620 O\n0.130203 0.130203 0.130203 F\n0.869797 0.869797 0.869797 F\n",
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"formula_full": "Ho2 O2 F2",
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"updated_at": "2021-11-28T01:37:08.132000Z",
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]
}