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{
"id": "mp-1038896",
"created_at": "2022-09-04T14:44:26.826465Z",
"structure_string": "Mg2 Bi4\n1.0\n1.781397 6.660722 0.000000\n-1.781397 6.660722 0.000000\n0.000000 2.447953 7.542695\nMg Bi\n2 4\ndirect\n0.800537 0.800537 0.643833 Mg\n0.199463 0.199463 0.356167 Mg\n0.156538 0.156538 0.966330 Bi\n0.556693 0.556693 0.655560 Bi\n0.443307 0.443307 0.344440 Bi\n0.843462 0.843462 0.033670 Bi\n",
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{
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{
"id": "mp-1185806",
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"structure_string": "Mg5 As1\n1.0\n1.653246 -7.715773 0.000000\n1.653246 7.715773 0.000000\n0.000000 0.000000 5.138454\nMg As\n5 1\ndirect\n0.328733 0.671267 0.000000 Mg\n0.667880 0.332120 0.000000 Mg\n0.000321 0.999679 0.000000 Mg\n0.440928 0.559072 0.500000 Mg\n0.120070 0.879930 0.500000 Mg\n0.775397 0.224603 0.500000 As\n",
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"formula_full": "Mg5 As1",
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"updated_at": "2021-11-28T01:36:56.367000Z",
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{
"id": "mp-1226655",
"created_at": "2022-09-04T14:44:29.161669Z",
"structure_string": "Ce1 B2 Ru2 Rh1\n1.0\n2.810129 -4.744408 0.000000\n2.810129 4.744408 0.000000\n0.000000 0.000000 3.004278\nCe B Ru Rh\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.671709 0.328291 0.000000 B\n0.328291 0.671709 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Rh\n",
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"density": 9.675784653080736,
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"volume": 80.10846305343185,
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"formula_full": "Ce1 B2 Ru2 Rh1",
"formula_reduced": "CeB2Ru2Rh",
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"energy": -48.74801596,
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"spacegroup": 65
},
{
"id": "mp-1023942",
"created_at": "2022-09-04T14:44:26.346685Z",
"structure_string": "Te4 W2\n1.0\n1.778297 -3.080101 0.000000\n1.778297 3.080101 0.000000\n0.000000 0.000000 25.054130\nTe W\n4 2\ndirect\n0.333333 0.666667 0.222961 Te\n0.666667 0.333333 0.777039 Te\n0.666667 0.333333 0.922042 Te\n0.333333 0.666667 0.077958 Te\n0.333333 0.666667 0.849502 W\n0.666667 0.333333 0.150498 W\n",
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"elements": [
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"W"
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"density": 5.312569284997263,
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"volume": 274.45969461852934,
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"formula_full": "Te4 W2",
"formula_reduced": "Te2W",
"formula_anonymous": "AB2",
"energy": -40.65473605,
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"updated_at": "2021-11-28T01:36:36.671000Z",
"spacegroup": 164
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{
"id": "mp-715",
"created_at": "2022-09-04T14:44:53.039166Z",
"structure_string": "Zr2 Ir4\n1.0\n0.000000 3.718669 3.718669\n3.718669 0.000000 3.718669\n3.718669 3.718669 0.000000\nZr Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n",
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"Ir"
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"density": 15.359650468177957,
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"volume": 102.8472220741256,
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"formula_full": "Zr2 Ir4",
"formula_reduced": "ZrIr2",
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"updated_at": "2021-11-28T01:36:43.883000Z",
"spacegroup": 227
},
{
"id": "mp-974974",
"created_at": "2022-09-04T14:44:28.529128Z",
"structure_string": "Rb3 Mg3\n1.0\n5.018498 -5.970926 0.000000\n5.018498 5.970926 0.000000\n0.000000 0.000000 5.426578\nRb Mg\n3 3\ndirect\n0.896862 0.896862 0.500000 Rb\n0.437918 0.044655 0.000000 Rb\n0.044655 0.437918 0.000000 Rb\n0.651847 0.397743 0.500000 Mg\n0.570977 0.570977 0.000000 Mg\n0.397743 0.651847 0.500000 Mg\n",
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"volume": 325.2156898453328,
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"formula_full": "Rb3 Mg3",
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"energy": -6.55921332,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:33.303000Z",
"spacegroup": 38
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{
"id": "mp-471",
"created_at": "2022-09-04T14:44:22.227976Z",
"structure_string": "Cd2 As4\n1.0\n-4.078293 4.078293 2.383873\n4.078293 -4.078293 2.383873\n4.078293 4.078293 -2.383873\nCd As\n2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750000 0.500000 Cd\n0.563058 0.375000 0.688058 As\n0.625000 0.436942 0.311942 As\n0.686942 0.875000 0.311942 As\n0.125000 0.313058 0.688058 As\n",
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"volume": 158.5988208014568,
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"formula_full": "Cd2 As4",
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"energy": -20.96789645,
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"updated_at": "2021-11-28T01:36:28.652000Z",
"spacegroup": 98
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{
"id": "mp-1221139",
"created_at": "2022-09-04T14:44:26.285624Z",
"structure_string": "Na4 Te1 Se1\n1.0\n5.007416 0.000000 0.000000\n0.000000 5.007416 0.000000\n0.000000 0.000000 7.113163\nNa Te Se\n4 1 1\ndirect\n0.500000 0.000000 0.761359 Na\n0.000000 0.500000 0.238641 Na\n0.500000 0.000000 0.238641 Na\n0.000000 0.500000 0.761359 Na\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
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"volume": 178.35697837110385,
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"formula_full": "Na4 Te1 Se1",
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"spacegroup": 123
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{
"id": "mp-862373",
"created_at": "2022-09-04T14:44:30.655409Z",
"structure_string": "Sc2 S4\n1.0\n6.061861 0.000000 0.000000\n0.000000 6.061861 0.000000\n0.000000 0.000000 3.771367\nSc S\n2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.296809 0.296809 0.000000 S\n0.703191 0.703191 0.000000 S\n0.203191 0.796809 0.500000 S\n0.796809 0.203191 0.500000 S\n",
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{
"id": "mp-1219181",
"created_at": "2022-09-04T14:44:52.229216Z",
"structure_string": "Sm2 Si3 Pd1\n1.0\n-1.997218 2.116987 7.198381\n1.997218 -2.116987 7.198381\n1.997218 2.116987 -7.198381\nSm Si Pd\n2 3 1\ndirect\n0.131506 0.131506 0.000000 Sm\n0.369106 0.869106 0.500000 Sm\n0.703924 0.703924 0.000000 Si\n0.540264 0.540264 0.000000 Si\n0.794982 0.294982 0.500000 Si\n0.960218 0.460218 0.500000 Pd\n",
"nsites": 6,
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"formula_full": "Sm2 Si3 Pd1",
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"updated_at": "2021-11-28T01:36:45.079000Z",
"spacegroup": 44
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{
"id": "mp-1219640",
"created_at": "2022-09-04T14:44:29.453502Z",
"structure_string": "Rb3 I2 Br1\n1.0\n-2.586788 3.683159 7.790009\n2.586788 -3.683159 7.790009\n2.586788 3.683159 -7.790009\nRb I Br\n3 2 1\ndirect\n0.345717 0.345717 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.654283 0.654283 0.000000 Rb\n0.168849 0.668849 0.500000 I\n0.831151 0.331151 0.500000 I\n0.500000 0.000000 0.500000 Br\n",
"nsites": 6,
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"density": 3.3007108574993445,
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"volume": 296.8788478344328,
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"formula_full": "Rb3 I2 Br1",
"formula_reduced": "Rb3I2Br",
"formula_anonymous": "AB2C3",
"energy": -18.42748869,
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"updated_at": "2021-11-28T01:36:44.822000Z",
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}
]
}