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{
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"results": [
{
"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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"formula_full": "Rb1 Sr3",
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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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"formula_full": "Zr1 Ag1 Hg2",
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"updated_at": "2021-11-28T01:35:56.401000Z",
"spacegroup": 71
},
{
"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,
"volume_molar": 160.54011669474946,
"formula_full": "Li2 Cd1 Bi1",
"formula_reduced": "Li2CdBi",
"formula_anonymous": "ABC2",
"energy": -5.4955908,
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"energy_uncorrected": -5.4955908,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.5559261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.930000Z",
"spacegroup": 71
},
{
"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": [
"Yb",
"Cd"
],
"chemical_system": "Cd-Yb",
"density": 8.961233071518041,
"density_atomic": 0.04230347830161362,
"volume": 94.5548725681837,
"volume_molar": 14.235568803736625,
"formula_full": "Yb1 Cd3",
"formula_reduced": "YbCd3",
"formula_anonymous": "AB3",
"energy": -5.49152121,
"energy_per_atom": -1.3728803025,
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"is_stable": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0040442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.009000Z",
"spacegroup": 225
},
{
"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,
"nelements": 2,
"elements": [
"Rb",
"Sr"
],
"chemical_system": "Rb-Sr",
"density": 2.359346761240622,
"density_atomic": 0.016316031396576704,
"volume": 245.157655239573,
"volume_molar": 36.9093477061065,
"formula_full": "Rb1 Sr3",
"formula_reduced": "RbSr3",
"formula_anonymous": "AB3",
"energy": -5.48782108,
"energy_per_atom": -1.37195527,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0154661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.668000Z",
"spacegroup": 225
},
{
"id": "mp-1009018",
"created_at": "2022-09-04T14:39:33.233565Z",
"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",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Ag"
],
"chemical_system": "Ag-In",
"density": 8.549371644466563,
"density_atomic": 0.04624042214589195,
"volume": 43.252200286793496,
"volume_molar": 13.023541915339141,
"formula_full": "In1 Ag1",
"formula_reduced": "InAg",
"formula_anonymous": "AB",
"energy": -5.48688848,
"energy_per_atom": -2.74344424,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.48688848,
"band_gap": 0.0,
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"total_magnetization": 0.0001598,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.668000Z",
"spacegroup": 221
},
{
"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",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 2.3314997790365335,
"density_atomic": 0.0347059280895231,
"volume": 57.62704270120794,
"volume_molar": 17.351908136460242,
"formula_full": "H1 Br1",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy": -5.47572459,
"energy_per_atom": -2.737862295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.94172459,
"band_gap": 2.4739000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.672000Z",
"spacegroup": 8
},
{
"id": "mp-8093",
"created_at": "2022-09-04T14:48:16.492483Z",
"structure_string": "Ba2 Cd1\n1.0\n-2.157938 2.157938 7.661260\n2.157938 -2.157938 7.661260\n2.157938 2.157938 -7.661260\nBa Cd\n2 1\ndirect\n0.632710 0.632710 0.000000 Ba\n0.367290 0.367290 0.000000 Ba\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Cd"
],
"chemical_system": "Ba-Cd",
"density": 4.503963701831319,
"density_atomic": 0.021022440726802094,
"volume": 142.70464780881588,
"volume_molar": 28.646249207030493,
"formula_full": "Ba2 Cd1",
"formula_reduced": "Ba2Cd",
"formula_anonymous": "AB2",
"energy": -5.47420027,
"energy_per_atom": -1.8247334233333332,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:40:08.147000Z",
"spacegroup": 139
},
{
"id": "mp-1185079",
"created_at": "2022-09-04T14:48:22.794659Z",
"structure_string": "K3 Tm1\n1.0\n0.000000 4.831621 4.831621\n4.831621 0.000000 4.831621\n4.831621 4.831621 0.000000\nK Tm\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
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"elements": [
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"density": 2.1069504457291157,
"density_atomic": 0.01773174246729873,
"volume": 225.58414703895502,
"volume_molar": 33.962487167328106,
"formula_full": "K3 Tm1",
"formula_reduced": "K3Tm",
"formula_anonymous": "AB3",
"energy": -5.47307033,
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"energy_above_hull": null,
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"energy_uncorrected": -5.47307033,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:59.075000Z",
"spacegroup": 225
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{
"id": "mp-1221597",
"created_at": "2022-09-04T14:44:20.720634Z",
"structure_string": "Na6\n1.0\n-5.961352 0.000000 -5.961352\n5.961352 -5.961352 0.000000\n-5.961352 -5.961352 0.000000\nNa\n6\ndirect\n0.500000 0.250000 0.250000 Na\n0.500000 0.750000 0.750000 Na\n0.796385 0.398193 0.805422 Na\n0.203615 0.398193 0.398193 Na\n0.203615 0.805422 0.398193 Na\n0.796385 0.398193 0.398193 Na\n",
"nsites": 6,
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"elements": [
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"density": 0.5405933087459964,
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"volume": 423.7056885899896,
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"formula_full": "Na6",
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"formula_anonymous": "A",
"energy": -5.47045194,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:21.157000Z",
"spacegroup": 216
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{
"id": "mp-974631",
"created_at": "2022-09-04T14:39:43.797207Z",
"structure_string": "K3 Tm1\n1.0\n6.074285 0.000000 0.000000\n0.000000 6.074285 0.000000\n0.000000 0.000000 6.074285\nK Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
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"elements": [
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"density": 2.120691049104739,
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"volume": 224.12251862608505,
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"formula_full": "K3 Tm1",
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"energy": -5.47012334,
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"updated_at": "2021-11-28T01:34:28.281000Z",
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{
"id": "mp-1094430",
"created_at": "2022-09-04T14:44:28.141223Z",
"structure_string": "Mg1 Zn3\n1.0\n-1.460979 2.423608 4.695450\n1.460979 -2.423608 4.695450\n1.460979 2.423608 -4.695450\nMg Zn\n1 3\ndirect\n0.336646 0.000000 0.336646 Mg\n0.830951 0.500000 0.330951 Zn\n0.248101 0.248567 0.999534 Zn\n0.750968 0.751433 0.999534 Zn\n",
"nsites": 4,
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"elements": [
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"density": 5.506519114635221,
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"volume": 66.50335607882299,
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"formula_full": "Mg1 Zn3",
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"energy": -5.46385219,
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"total_magnetization": 1.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.050000Z",
"spacegroup": 44
}
]
}