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"results": [
{
"id": "mp-730522",
"created_at": "2022-09-04T14:40:14.257336Z",
"structure_string": "H1 Br1\n1.0\n0.000000 4.038815 4.254400\n1.676888 0.000000 4.254400\n1.676888 4.038815 0.000000\nH Br\n1 1\ndirect\n0.984730 0.011799 0.016527 H\n0.490234 0.498512 0.507042 Br\n",
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{
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"structure_string": "In1 Ag1\n1.0\n3.510234 0.000000 0.000000\n0.000000 3.510234 0.000000\n0.000000 0.000000 3.510234\nIn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "mp-975219",
"created_at": "2022-09-04T14:39:22.552225Z",
"structure_string": "Rb1 Sr3\n1.0\n0.000000 4.967507 4.967507\n4.967507 0.000000 4.967507\n4.967507 4.967507 0.000000\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Rb-Sr",
"density": 2.359346761240622,
"density_atomic": 0.016316031396576704,
"volume": 245.157655239573,
"volume_molar": 36.9093477061065,
"formula_full": "Rb1 Sr3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.668000Z",
"spacegroup": 225
},
{
"id": "mp-865366",
"created_at": "2022-09-04T14:39:49.672031Z",
"structure_string": "Yb1 Cd3\n1.0\n0.000000 3.615913 3.615913\n3.615913 0.000000 3.615913\n3.615913 3.615913 0.000000\nYb Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Yb",
"density": 8.961233071518041,
"density_atomic": 0.04230347830161362,
"volume": 94.5548725681837,
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"formula_full": "Yb1 Cd3",
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"energy": -5.49152121,
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"updated_at": "2021-11-28T01:34:42.009000Z",
"spacegroup": 225
},
{
"id": "mp-1095979",
"created_at": "2022-09-04T14:45:28.346116Z",
"structure_string": "Li2 Cd1 Bi1\n1.0\n-5.645826 5.784125 8.163333\n5.645826 -5.784125 8.163333\n5.645826 5.784125 -8.163333\nLi Cd Bi\n2 1 1\ndirect\n0.000000 0.257360 0.257360 Li\n0.000000 0.742640 0.742640 Li\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Li",
"density": 0.5221022115637686,
"density_atomic": 0.003751175023405821,
"volume": 1066.332542481119,
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"formula_full": "Li2 Cd1 Bi1",
"formula_reduced": "Li2CdBi",
"formula_anonymous": "ABC2",
"energy": -5.4955908,
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"updated_at": "2021-11-28T01:36:58.930000Z",
"spacegroup": 71
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{
"id": "mp-1093739",
"created_at": "2022-09-04T14:43:07.588531Z",
"structure_string": "Zr1 Ag1 Hg2\n1.0\n-5.749821 6.047442 8.409362\n5.749821 -6.047442 8.409362\n5.749821 6.047442 -8.409362\nZr Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Ag\n0.000000 0.259519 0.259519 Hg\n0.000000 0.740481 0.740481 Hg\n",
"nsites": 4,
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"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Zr",
"density": 0.8522131910734714,
"density_atomic": 0.003419880378232928,
"volume": 1169.6315536237623,
"volume_molar": 176.0921463314946,
"formula_full": "Zr1 Ag1 Hg2",
"formula_reduced": "ZrAgHg2",
"formula_anonymous": "ABC2",
"energy": -5.50197985,
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"updated_at": "2021-11-28T01:35:56.401000Z",
"spacegroup": 71
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{
"id": "mp-975222",
"created_at": "2022-09-04T14:46:06.133188Z",
"structure_string": "Rb1 Sr3\n1.0\n-3.090649 3.090649 6.376005\n3.090649 -3.090649 6.376005\n3.090649 3.090649 -6.376005\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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"Sr"
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"density": 2.3742651753738055,
"density_atomic": 0.016419199492671305,
"volume": 243.61723613781515,
"volume_molar": 36.677432189602044,
"formula_full": "Rb1 Sr3",
"formula_reduced": "RbSr3",
"formula_anonymous": "AB3",
"energy": -5.50214984,
"energy_per_atom": -1.37553746,
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"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:19.791000Z",
"spacegroup": 139
},
{
"id": "mp-975199",
"created_at": "2022-09-04T14:43:55.020402Z",
"structure_string": "Rb1 Sr3\n1.0\n6.247385 0.000000 0.000000\n0.000000 6.247385 0.000000\n0.000000 0.000000 6.247385\nRb Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
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"elements": [
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"Sr"
],
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"density": 2.3721515027838405,
"density_atomic": 0.016404582417764595,
"volume": 243.83430788633683,
"volume_molar": 36.71011310521746,
"formula_full": "Rb1 Sr3",
"formula_reduced": "RbSr3",
"formula_anonymous": "AB3",
"energy": -5.50301104,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:07.551000Z",
"spacegroup": 221
},
{
"id": "mp-1039074",
"created_at": "2022-09-04T14:42:17.029789Z",
"structure_string": "Mg1 Bi1\n1.0\n1.882775 -3.261063 0.000000\n1.882775 3.261063 0.000000\n0.000000 0.000000 4.580231\nMg Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 Bi\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Bi-Mg",
"density": 6.887500884946844,
"density_atomic": 0.03555944763633575,
"volume": 56.24384328052211,
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"formula_full": "Mg1 Bi1",
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"updated_at": "2021-11-28T01:35:43.458000Z",
"spacegroup": 187
},
{
"id": "mp-1095868",
"created_at": "2022-09-04T14:48:28.157125Z",
"structure_string": "Mg2 Ga1 Au1\n1.0\n-5.287244 5.626722 7.898679\n5.287244 -5.626722 7.898679\n5.287244 5.626722 -7.898679\nMg Ga Au\n2 1 1\ndirect\n0.000000 0.255904 0.255904 Mg\n0.000000 0.744096 0.744096 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Au-Ga-Mg",
"density": 0.5570231015530198,
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"volume": 939.9381292210319,
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"formula_full": "Mg2 Ga1 Au1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:39:20.261000Z",
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{
"id": "mp-1094476",
"created_at": "2022-09-04T14:39:39.185906Z",
"structure_string": "Mg1 Zn3\n1.0\n-2.059242 2.059242 3.886386\n2.059242 -2.059242 3.886386\n2.059242 2.059242 -3.886386\nMg Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"formula_full": "Mg1 Zn3",
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{
"id": "mp-975170",
"created_at": "2022-09-04T14:44:00.884897Z",
"structure_string": "Rb2 Hg6\n1.0\n3.821519 -6.619065 0.000000\n3.821519 6.619065 0.000000\n0.000000 0.000000 5.646818\nRb Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.144779 0.289557 0.250000 Hg\n0.710443 0.855221 0.250000 Hg\n0.144779 0.855221 0.250000 Hg\n0.855221 0.710443 0.750000 Hg\n0.289557 0.144779 0.750000 Hg\n0.855221 0.144779 0.750000 Hg\n",
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"elements": [
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"density": 7.989501393515817,
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"volume": 285.6711974217589,
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"formula_full": "Rb2 Hg6",
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"updated_at": "2021-11-28T01:36:25.850000Z",
"spacegroup": 194
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]
}