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"results": [
{
"id": "mp-567713",
"created_at": "2022-09-04T14:40:26.666188Z",
"structure_string": "Nb3 Te1 I7\n1.0\n3.867157 -6.698113 0.000000\n3.867157 6.698113 0.000000\n0.000000 0.000000 7.245336\nNb Te I\n3 1 7\ndirect\n0.264780 0.132390 0.498608 Nb\n0.867610 0.132390 0.498608 Nb\n0.867610 0.735220 0.498608 Nb\n0.000000 0.000000 0.211209 Te\n0.665158 0.832579 0.754797 I\n0.499236 0.998472 0.285507 I\n0.167421 0.832579 0.754797 I\n0.001528 0.500764 0.285507 I\n0.666667 0.333333 0.701654 I\n0.167421 0.334842 0.754797 I\n0.499236 0.500764 0.285507 I\n",
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{
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"structure_string": "Tl8 Te6 Pb2\n1.0\n-4.498212 4.498212 6.745637\n4.498212 -4.498212 6.745637\n4.498212 4.498212 -6.745637\nTl Te Pb\n8 6 2\ndirect\n0.010771 0.510771 0.206386 Tl\n0.695614 0.195614 0.206386 Tl\n0.304386 0.804386 0.793614 Tl\n0.804386 0.010771 0.500000 Tl\n0.510771 0.304386 0.500000 Tl\n0.195614 0.989229 0.500000 Tl\n0.489229 0.695614 0.500000 Tl\n0.989229 0.489229 0.793614 Tl\n0.164315 0.335685 0.500000 Te\n0.664315 0.164315 0.828631 Te\n0.750000 0.750000 0.000000 Te\n0.250000 0.250000 0.000000 Te\n0.335685 0.835685 0.171369 Te\n0.835685 0.664315 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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"formula_full": "Tl8 Te6 Pb2",
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},
{
"id": "mp-1078331",
"created_at": "2022-09-04T14:41:00.599744Z",
"structure_string": "Sb4 Te6\n1.0\n2.152638 8.046128 0.000000\n-2.152638 8.046128 0.000000\n0.000000 0.881118 9.850552\nSb Te\n4 6\ndirect\n0.974207 0.974207 0.790889 Sb\n0.025793 0.025793 0.209111 Sb\n0.236164 0.236164 0.806104 Sb\n0.763836 0.763836 0.193896 Sb\n0.831909 0.831909 0.632315 Te\n0.168091 0.168091 0.367685 Te\n0.433280 0.433280 0.356761 Te\n0.566720 0.566720 0.643239 Te\n0.642177 0.642177 0.997226 Te\n0.357823 0.357823 0.002774 Te\n",
"nsites": 10,
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"volume": 341.2310191701586,
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"formula_full": "Sb4 Te6",
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"formula_anonymous": "A2B3",
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"spacegroup": 12
},
{
"id": "mp-862740",
"created_at": "2022-09-04T14:40:56.451680Z",
"structure_string": "Sr2 Tl1 Cd1\n1.0\n0.000000 4.086590 4.086590\n4.086590 0.000000 4.086590\n4.086590 4.086590 0.000000\nSr Tl Cd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
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"formula_full": "Sr2 Tl1 Cd1",
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"spacegroup": 225
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{
"id": "mp-989405",
"created_at": "2022-09-04T14:41:06.454636Z",
"structure_string": "Cs2 Li1 In1 Br6\n1.0\n0.000000 5.546396 5.546396\n5.546396 0.000000 5.546396\n5.546396 5.546396 0.000000\nCs Li In Br\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.254074 0.745926 0.745926 Br\n0.254074 0.745926 0.254074 Br\n0.745926 0.254074 0.745926 Br\n0.745926 0.745926 0.254074 Br\n0.254074 0.254074 0.745926 Br\n0.745926 0.254074 0.254074 Br\n",
"nsites": 10,
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"elements": [
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"density": 4.218931981310846,
"density_atomic": 0.02930470692555257,
"volume": 341.24210917394936,
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"formula_full": "Cs2 Li1 In1 Br6",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:00.330000Z",
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{
"id": "mp-1179899",
"created_at": "2022-09-04T14:40:18.097993Z",
"structure_string": "Pt4 N8 Cl8 O8\n1.0\n7.528554 0.000000 0.000000\n0.000000 7.528554 0.000000\n0.000000 0.000000 16.857680\nPt N Cl O\n4 8 8 8\ndirect\n0.500000 0.500000 0.073586 Pt\n0.000000 0.000000 0.573586 Pt\n0.000000 0.000000 0.426414 Pt\n0.500000 0.500000 0.926414 Pt\n0.500000 0.131304 0.284991 N\n0.500000 0.868696 0.284991 N\n0.631304 0.000000 0.784991 N\n0.368696 0.000000 0.784991 N\n0.000000 0.368696 0.215009 N\n0.000000 0.631304 0.215009 N\n0.868696 0.500000 0.715009 N\n0.131304 0.500000 0.715009 N\n0.500000 0.207204 0.082800 Cl\n0.500000 0.792796 0.082800 Cl\n0.707204 0.000000 0.582800 Cl\n0.292796 0.000000 0.582800 Cl\n0.000000 0.292796 0.417200 Cl\n0.000000 0.707204 0.417200 Cl\n0.792796 0.500000 0.917200 Cl\n0.207204 0.500000 0.917200 Cl\n0.126465 0.500000 0.215041 O\n0.873535 0.500000 0.215041 O\n0.000000 0.626465 0.715041 O\n0.000000 0.373535 0.715041 O\n0.373535 0.000000 0.284959 O\n0.626465 0.000000 0.284959 O\n0.500000 0.873535 0.784959 O\n0.500000 0.126465 0.784959 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Cl-N-O-Pt",
"density": 2.266254473817407,
"density_atomic": 0.02930468693406719,
"volume": 955.4785575084759,
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"formula_full": "Pt4 N8 Cl8 O8",
"formula_reduced": "PtN2(ClO)2",
"formula_anonymous": "AB2C2D2",
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"spacegroup": 137
},
{
"id": "mp-867207",
"created_at": "2022-09-04T14:46:25.509309Z",
"structure_string": "Sr2 Hg1 Pb1\n1.0\n0.000000 4.086642 4.086642\n4.086642 0.000000 4.086642\n4.086642 4.086642 0.000000\nSr Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n",
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"density": 7.092677637515413,
"density_atomic": 0.02930422318795452,
"volume": 136.49909688253388,
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"formula_full": "Sr2 Hg1 Pb1",
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"formula_anonymous": "ABC2",
"energy": -9.79574095,
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"updated_at": "2021-11-28T01:37:38.742000Z",
"spacegroup": 225
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{
"id": "mp-1111878",
"created_at": "2022-09-04T14:42:03.817693Z",
"structure_string": "Cs2 Y1 Cu1 Br6\n1.0\n0.000000 5.546463 5.546463\n5.546463 0.000000 5.546463\n5.546463 5.546463 0.000000\nCs Y Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.753837 0.246163 0.246163 Br\n0.246163 0.246163 0.753837 Br\n0.246163 0.753837 0.753837 Br\n0.246163 0.753837 0.246163 Br\n0.753837 0.246163 0.753837 Br\n0.753837 0.753837 0.246163 Br\n",
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{
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"structure_string": "In2 Br2\n1.0\n2.305499 -6.309095 0.000000\n2.305499 6.309095 0.000000\n0.000000 0.000000 4.692583\nIn Br\n2 2\ndirect\n0.390452 0.609548 0.750000 In\n0.609548 0.390452 0.250000 In\n0.148545 0.851455 0.750000 Br\n0.851455 0.148545 0.250000 Br\n",
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{
"id": "mp-1560",
"created_at": "2022-09-04T14:40:00.129356Z",
"structure_string": "La1 Te1\n1.0\n0.000000 3.243755 3.243755\n3.243755 0.000000 3.243755\n3.243755 3.243755 0.000000\nLa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "mp-1112334",
"created_at": "2022-09-04T14:45:31.679013Z",
"structure_string": "Cs2 Ta1 Ag1 Br6\n1.0\n0.000000 5.546797 5.546797\n5.546797 0.000000 5.546797\n5.546797 5.546797 0.000000\nCs Ta Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.738956 0.261044 0.261044 Br\n0.261044 0.261044 0.738956 Br\n0.261044 0.738956 0.738956 Br\n0.261044 0.738956 0.261044 Br\n0.738956 0.261044 0.738956 Br\n0.738956 0.738956 0.261044 Br\n",
"nsites": 10,
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"formula_full": "Cs2 Ta1 Ag1 Br6",
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"energy": -39.9091954,
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{
"id": "mp-582657",
"created_at": "2022-09-04T14:39:07.480487Z",
"structure_string": "Ti8 Te18 I8 O2\n1.0\n3.164953 11.531509 0.000000\n-3.164953 11.531509 0.000000\n0.000000 10.986938 16.834840\nTi Te I O\n8 18 8 2\ndirect\n0.004378 0.124067 0.139471 Ti\n0.595530 0.257441 0.234168 Ti\n0.124067 0.004378 0.639471 Ti\n0.404470 0.742559 0.765832 Ti\n0.257441 0.595530 0.734168 Ti\n0.875933 0.995622 0.360529 Ti\n0.742559 0.404470 0.265832 Ti\n0.995622 0.875933 0.860529 Ti\n0.695243 0.304757 0.750000 Te\n0.405634 0.653089 0.569820 Te\n0.816354 0.846240 0.327898 Te\n0.461045 0.212395 0.401188 Te\n0.067186 0.035376 0.874909 Te\n0.183646 0.153760 0.672102 Te\n0.594366 0.346911 0.430180 Te\n0.846240 0.816354 0.827898 Te\n0.153760 0.183646 0.172102 Te\n0.304757 0.695243 0.250000 Te\n0.964624 0.932814 0.625091 Te\n0.212395 0.461045 0.901188 Te\n0.653089 0.405634 0.069820 Te\n0.932814 0.964624 0.125091 Te\n0.787605 0.538955 0.098812 Te\n0.538955 0.787605 0.598812 Te\n0.035376 0.067186 0.374909 Te\n0.346911 0.594366 0.930180 Te\n0.734147 0.591486 0.784806 I\n0.265853 0.408513 0.215194 I\n0.408514 0.265853 0.715194 I\n0.591487 0.734147 0.284806 I\n0.966335 0.319116 0.503186 I\n0.033665 0.680884 0.496814 I\n0.680884 0.033665 0.996814 I\n0.319116 0.966335 0.003186 I\n0.804186 0.195814 0.250000 O\n0.195814 0.804186 0.750000 O\n",
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"volume": 1228.8316714783914,
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"formula_full": "Ti8 Te18 I8 O2",
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"energy": -181.95517908,
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"spacegroup": 15
}
]
}