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{
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"results": [
{
"id": "mp-1097256",
"created_at": "2022-09-04T14:48:07.692457Z",
"structure_string": "Li2 Ga1 Hg1\n1.0\n-5.460114 5.573614 7.705546\n5.460114 -5.573614 7.705546\n5.460114 5.573614 -7.705546\nLi Ga Hg\n2 1 1\ndirect\n0.244165 0.000000 0.244165 Li\n0.755835 0.000000 0.755835 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
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{
"id": "mp-974940",
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"spacegroup": 139
},
{
"id": "mp-1093984",
"created_at": "2022-09-04T14:47:04.282827Z",
"structure_string": "Sr1 Li2 In1\n1.0\n-6.302284 6.518525 8.821404\n6.302284 -6.518525 8.821404\n6.302284 6.518525 -8.821404\nSr Li In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.277335 0.000000 0.277335 Li\n0.722665 0.000000 0.722665 Li\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.2477996923158396,
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"volume": 1449.5894144576832,
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"formula_full": "Sr1 Li2 In1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.587000Z",
"spacegroup": 71
},
{
"id": "mp-23903",
"created_at": "2022-09-04T14:39:46.021406Z",
"structure_string": "H1 Br1\n1.0\n0.000000 2.445822 2.445822\n2.445822 0.000000 2.445822\n2.445822 2.445822 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"density": 4.591527340139851,
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"volume": 29.262035782695108,
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"formula_full": "H1 Br1",
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"updated_at": "2021-11-28T01:34:29.084000Z",
"spacegroup": 225
},
{
"id": "mp-1226726",
"created_at": "2022-09-04T14:40:56.784293Z",
"structure_string": "Cd1 Ag1\n1.0\n4.952694 -1.527641 0.000000\n4.952694 1.527641 0.000000\n4.481499 0.000000 2.603657\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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"elements": [
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"density": 9.28423275787772,
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"volume": 39.39821703080705,
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"formula_full": "Cd1 Ag1",
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"updated_at": "2021-11-28T01:34:58.214000Z",
"spacegroup": 166
},
{
"id": "mp-1226716",
"created_at": "2022-09-04T14:42:02.581837Z",
"structure_string": "Cd1 Ag1\n1.0\n1.701778 -2.414078 0.000000\n1.701778 2.414078 0.000000\n0.000000 0.000000 4.790232\nCd Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
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"elements": [
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"density": 9.293554316663222,
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"volume": 39.35870009427415,
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"formula_full": "Cd1 Ag1",
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"updated_at": "2021-11-28T01:35:40.184000Z",
"spacegroup": 65
},
{
"id": "mp-1096608",
"created_at": "2022-09-04T14:44:13.182627Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n-6.228109 7.204033 10.201383\n6.228109 -7.204033 10.201383\n6.228109 7.204033 -10.201383\nBa Sr Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.247226 0.247226 Tl\n0.000000 0.752774 0.752774 Tl\n",
"nsites": 4,
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"elements": [
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"Sr",
"Tl"
],
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"density": 0.5747661491472121,
"density_atomic": 0.0021847867272811092,
"volume": 1830.8423197800457,
"volume_molar": 275.6397539770092,
"formula_full": "Ba1 Sr1 Tl2",
"formula_reduced": "BaSrTl2",
"formula_anonymous": "ABC2",
"energy": -3.79513794,
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"energy_uncorrected": -3.79513794,
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"updated_at": "2021-11-28T01:36:30.482000Z",
"spacegroup": 71
},
{
"id": "mp-1183766",
"created_at": "2022-09-04T14:45:43.172439Z",
"structure_string": "Cs2 K1 Rb1\n1.0\n0.000000 5.811153 5.811153\n5.811153 0.000000 5.811153\n5.811153 5.811153 0.000000\nCs K Rb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
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"elements": [
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"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.6516438261446424,
"density_atomic": 0.010191616322728976,
"volume": 392.4794530460633,
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"formula_full": "Cs2 K1 Rb1",
"formula_reduced": "Cs2KRb",
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"updated_at": "2021-11-28T01:37:12.841000Z",
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{
"id": "mp-1058581",
"created_at": "2022-09-04T14:47:06.097477Z",
"structure_string": "Ba2\n1.0\n2.178574 -3.956087 0.000000\n2.178574 3.956087 0.000000\n0.000000 0.000000 7.368098\nBa\n2\ndirect\n0.649218 0.350782 0.750000 Ba\n0.350782 0.649218 0.250000 Ba\n",
"nsites": 2,
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"elements": [
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"volume": 127.00579558430923,
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"formula_full": "Ba2",
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"spacegroup": 63
},
{
"id": "mp-10630",
"created_at": "2022-09-04T14:40:20.720922Z",
"structure_string": "Sb1\n1.0\n0.000000 2.395458 2.395458\n2.395458 0.000000 2.395458\n2.395458 2.395458 0.000000\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
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"updated_at": "2021-11-28T01:34:50.829000Z",
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{
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"structure_string": "Ba2\n1.0\n2.239279 -3.878544 0.000000\n2.239279 3.878544 0.000000\n0.000000 0.000000 7.352020\nBa\n2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n",
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{
"id": "mp-1185559",
"created_at": "2022-09-04T14:40:58.597494Z",
"structure_string": "Cs1 Rb3\n1.0\n0.000000 5.790249 5.790249\n5.790249 0.000000 5.790249\n5.790249 5.790249 0.000000\nCs Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n",
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]
}