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"results": [
{
"id": "mp-1221590",
"created_at": "2022-09-04T14:40:40.904826Z",
"structure_string": "Mn1 Hg3 S4\n1.0\n13.673680 -2.095253 0.000000\n13.673680 2.095253 0.000000\n13.352619 0.000000 3.614855\nMn Hg S\n1 3 4\ndirect\n0.750861 0.750861 0.750861 Mn\n0.002244 0.002244 0.002244 Hg\n0.249869 0.249869 0.249869 Hg\n0.496953 0.496953 0.496953 Hg\n0.938840 0.938840 0.938840 S\n0.186249 0.186249 0.186249 S\n0.432916 0.432916 0.432916 S\n0.692068 0.692068 0.692068 S\n",
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{
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"created_at": "2022-09-04T14:48:23.552878Z",
"structure_string": "K2 S1 Br1 Cl6\n1.0\n0.000000 5.293414 5.293414\n5.293414 0.000000 5.293414\n5.293414 5.293414 0.000000\nK S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 Br\n0.279466 0.720534 0.720534 Cl\n0.279466 0.720534 0.279466 Cl\n0.720534 0.279466 0.720534 Cl\n0.720534 0.720534 0.279466 Cl\n0.279466 0.279466 0.720534 Cl\n0.720534 0.279466 0.279466 Cl\n",
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"formula_full": "K2 S1 Br1 Cl6",
"formula_reduced": "K2SBrCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:56.770000Z",
"spacegroup": 225
},
{
"id": "mp-1228804",
"created_at": "2022-09-04T14:41:20.012305Z",
"structure_string": "Al1 V1 Fe2\n1.0\n0.000000 2.925319 2.925319\n2.925319 0.000000 2.925319\n2.925319 2.925319 0.000000\nAl V Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 4,
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"chemical_system": "Al-Fe-V",
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"volume": 50.066783502220474,
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"formula_full": "Al1 V1 Fe2",
"formula_reduced": "AlVFe2",
"formula_anonymous": "ABC2",
"energy": -30.3241423,
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"updated_at": "2021-11-28T01:35:15.624000Z",
"spacegroup": 216
},
{
"id": "mp-30635",
"created_at": "2022-09-04T14:42:45.723244Z",
"structure_string": "Fe3 Pd1\n1.0\n3.731060 0.000000 0.000000\n0.000000 3.731060 0.000000\n0.000000 0.000000 3.731060\nFe Pd\n3 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Pd\n",
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"volume": 51.93937259627501,
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"formula_full": "Fe3 Pd1",
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"energy": -30.32025406,
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"updated_at": "2021-11-28T01:35:55.420000Z",
"spacegroup": 221
},
{
"id": "mp-1022611",
"created_at": "2022-09-04T14:44:08.262915Z",
"structure_string": "Mg12 Zn2 Sn2\n1.0\n5.066990 0.000000 0.000000\n0.000000 6.276454 0.000000\n0.000000 0.000000 11.130103\nMg Zn Sn\n12 2 2\ndirect\n0.000000 0.247327 0.081960 Mg\n0.000000 0.752673 0.081960 Mg\n0.000000 0.000000 0.331167 Mg\n0.500000 0.743401 0.410743 Mg\n0.500000 0.256599 0.410743 Mg\n0.500000 0.000000 0.166021 Mg\n0.000000 0.747327 0.581960 Mg\n0.000000 0.252673 0.581960 Mg\n0.000000 0.500000 0.831167 Mg\n0.500000 0.243401 0.910743 Mg\n0.500000 0.756599 0.910743 Mg\n0.500000 0.500000 0.666021 Mg\n0.000000 0.500000 0.354082 Zn\n0.000000 0.000000 0.854082 Zn\n0.500000 0.500000 0.163323 Sn\n0.500000 0.000000 0.663323 Sn\n",
"nsites": 16,
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"elements": [
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"Zn",
"Sn"
],
"chemical_system": "Mg-Sn-Zn",
"density": 3.095724674712635,
"density_atomic": 0.045201869990252525,
"volume": 353.9676567241641,
"volume_molar": 13.32276908300173,
"formula_full": "Mg12 Zn2 Sn2",
"formula_reduced": "Mg6ZnSn",
"formula_anonymous": "ABC6",
"energy": -30.31896495,
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"updated_at": "2021-11-28T01:36:30.596000Z",
"spacegroup": 38
},
{
"id": "mp-1226895",
"created_at": "2022-09-04T14:46:35.554347Z",
"structure_string": "Ce2 Sb1 Au3\n1.0\n3.597026 0.000000 0.000000\n0.000000 4.797734 0.000000\n0.000000 0.000000 8.439983\nCe Sb Au\n2 1 3\ndirect\n0.000000 0.000000 0.983442 Ce\n0.000000 0.500000 0.518397 Ce\n0.500000 0.000000 0.333424 Sb\n0.500000 0.500000 0.834103 Au\n0.500000 0.500000 0.162272 Au\n0.500000 0.000000 0.668362 Au\n",
"nsites": 6,
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"elements": [
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"density": 11.319563136361547,
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"volume": 145.653630667112,
"volume_molar": 14.619111101373353,
"formula_full": "Ce2 Sb1 Au3",
"formula_reduced": "Ce2SbAu3",
"formula_anonymous": "AB2C3",
"energy": -30.31842606,
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"spacegroup": 25
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{
"id": "mp-998986",
"created_at": "2022-09-04T14:41:06.751547Z",
"structure_string": "Ti3 Si1\n1.0\n0.000000 3.144356 3.144356\n3.144356 0.000000 3.144356\n3.144356 3.144356 0.000000\nTi Si\n3 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.585219362997103,
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"volume": 62.17633615493415,
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"formula_full": "Ti3 Si1",
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{
"id": "mp-1212437",
"created_at": "2022-09-04T14:40:19.307008Z",
"structure_string": "Hf2 Si1 Te2\n1.0\n3.020417 0.000000 0.000000\n0.000000 3.020417 0.000000\n0.000000 0.000000 14.974733\nHf Si Te\n2 1 2\ndirect\n0.500000 0.500000 0.176682 Hf\n0.500000 0.500000 0.823318 Hf\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.628360 Te\n0.500000 0.500000 0.371640 Te\n",
"nsites": 5,
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"density": 7.782449278016662,
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"volume": 136.6132740176538,
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"formula_full": "Hf2 Si1 Te2",
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"energy": -30.31762465,
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"updated_at": "2021-11-28T01:34:59.223000Z",
"spacegroup": 123
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{
"id": "mp-1019094",
"created_at": "2022-09-04T14:42:29.213588Z",
"structure_string": "Pr2 Ge2 Au2\n1.0\n2.261654 -3.917299 0.000000\n2.261654 3.917299 0.000000\n0.000000 0.000000 7.911962\nPr Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.752145 Pr\n0.000000 0.000000 0.252145 Pr\n0.666667 0.333333 0.968362 Ge\n0.333333 0.666667 0.468362 Ge\n0.666667 0.333333 0.519493 Au\n0.333333 0.666667 0.019493 Au\n",
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"volume": 140.1932407213915,
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"formula_full": "Pr2 Ge2 Au2",
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{
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"structure_string": "V1 Fe1 Co1 Ge1\n1.0\n0.000000 2.879034 2.879034\n2.879034 0.000000 2.879034\n2.879034 2.879034 0.000000\nV Fe Co Ge\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "mp-1018826",
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"structure_string": "Nd2 Ge2 Au2\n1.0\n2.256045 -3.907585 0.000000\n2.256045 3.907585 0.000000\n0.000000 0.000000 7.874170\nNd Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.751485 Nd\n0.000000 0.000000 0.251485 Nd\n0.666667 0.333333 0.969386 Ge\n0.333333 0.666667 0.469386 Ge\n0.666667 0.333333 0.519129 Au\n0.333333 0.666667 0.019129 Au\n",
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{
"id": "mp-1218980",
"created_at": "2022-09-04T14:39:49.009287Z",
"structure_string": "Sm2 Ga2 Si2\n1.0\n-2.084814 2.084814 7.138859\n2.084814 -2.084814 7.138859\n2.084814 2.084814 -7.138859\nSm Ga Si\n2 2 2\ndirect\n0.624930 0.124930 0.500000 Sm\n0.874930 0.874930 0.000000 Sm\n0.458300 0.458300 0.000000 Ga\n0.208300 0.708300 0.500000 Ga\n0.041770 0.541770 0.500000 Si\n0.291770 0.291770 0.000000 Si\n",
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"volume": 124.11475808573357,
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"formula_full": "Sm2 Ga2 Si2",
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}
]
}