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"results": [
{
"id": "mp-1209830",
"created_at": "2022-09-04T14:41:17.344370Z",
"structure_string": "P1 Br2\n1.0\n10.104816 0.000000 0.000000\n0.000000 10.104816 0.000000\n0.000000 0.000000 14.527105\nP Br\n1 2\ndirect\n0.500000 0.500000 0.500000 P\n0.500000 0.500000 0.079361 Br\n0.500000 0.500000 0.920639 Br\n",
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"density": 0.21357482431456934,
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"volume": 1483.3235612507174,
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"formula_full": "P1 Br2",
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{
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"created_at": "2022-09-04T14:42:22.389369Z",
"structure_string": "Cd6 Hg2\n1.0\n3.201539 -5.545229 0.000000\n3.201539 5.545229 0.000000\n0.000000 0.000000 5.197813\nCd Hg\n6 2\ndirect\n0.166729 0.333459 0.250000 Cd\n0.666541 0.833271 0.250000 Cd\n0.166729 0.833271 0.250000 Cd\n0.833271 0.666541 0.750000 Cd\n0.333459 0.166729 0.750000 Cd\n0.833271 0.166729 0.750000 Cd\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
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"elements": [
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"formula_full": "Cd6 Hg2",
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"updated_at": "2021-11-28T01:35:45.024000Z",
"spacegroup": 194
},
{
"id": "mp-1185111",
"created_at": "2022-09-04T14:43:56.321893Z",
"structure_string": "K3 Pr1\n1.0\n-2.913011 2.913011 6.766311\n2.913011 -2.913011 6.766311\n2.913011 2.913011 -6.766311\nK Pr\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "K-Pr",
"density": 1.8668672136069886,
"density_atomic": 0.017416616752166787,
"volume": 229.66572997033788,
"volume_molar": 34.57698384073814,
"formula_full": "K3 Pr1",
"formula_reduced": "K3Pr",
"formula_anonymous": "AB3",
"energy": -5.98301898,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -5.98301898,
"band_gap": 0.0,
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"total_magnetization": 0.0348548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.781000Z",
"spacegroup": 139
},
{
"id": "mp-1093825",
"created_at": "2022-09-04T14:39:29.891096Z",
"structure_string": "Sr1 Mg1 Pb2\n1.0\n-6.038349 6.800592 9.616726\n6.038349 -6.800592 9.616726\n6.038349 6.800592 -9.616726\nSr Mg Pb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.233524 0.233524 Pb\n0.000000 0.766476 0.766476 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Pb"
],
"chemical_system": "Mg-Pb-Sr",
"density": 0.5532875938500602,
"density_atomic": 0.0025322572722771917,
"volume": 1579.6183285922234,
"volume_molar": 237.81709804645755,
"formula_full": "Sr1 Mg1 Pb2",
"formula_reduced": "SrMgPb2",
"formula_anonymous": "ABC2",
"energy": -5.98385943,
"energy_per_atom": -1.4959648575,
"energy_above_hull": null,
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"energy_uncorrected": -5.98385943,
"band_gap": 0.4216000000000002,
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"is_magnetic": true,
"total_magnetization": 4.0009535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.811000Z",
"spacegroup": 71
},
{
"id": "mp-1094790",
"created_at": "2022-09-04T14:42:20.632226Z",
"structure_string": "Sr2 Mg2\n1.0\n2.035092 -3.524882 0.000000\n2.035092 3.524882 0.000000\n0.000000 0.000000 11.109896\nSr Mg\n2 2\ndirect\n0.666667 0.333333 0.161368 Sr\n0.333333 0.666667 0.838632 Sr\n0.333333 0.666667 0.408498 Mg\n0.666667 0.333333 0.591502 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.332048492789627,
"density_atomic": 0.025095241076753642,
"volume": 159.3927704366746,
"volume_molar": 23.997142492400528,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -5.99241568,
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"energy_above_hull": null,
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"energy_uncorrected": -5.99241568,
"band_gap": 0.0,
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"total_magnetization": 0.022446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.362000Z",
"spacegroup": 164
},
{
"id": "mp-1097156",
"created_at": "2022-09-04T14:43:01.484187Z",
"structure_string": "Ca1 Tl2 Pb1\n1.0\n-6.233171 6.751380 9.270306\n6.233171 -6.751380 9.270306\n6.233171 6.751380 -9.270306\nCa Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.266097 0.266097 Tl\n0.000000 0.733903 0.733903 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
"Ca",
"Tl",
"Pb"
],
"chemical_system": "Ca-Pb-Tl",
"density": 0.698114738892654,
"density_atomic": 0.0025633289112935746,
"volume": 1560.470832430714,
"volume_molar": 234.9343751193033,
"formula_full": "Ca1 Tl2 Pb1",
"formula_reduced": "CaTl2Pb",
"formula_anonymous": "ABC2",
"energy": -5.9925486,
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"formation_energy": null,
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"energy_uncorrected": -5.9925486,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 5.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.752000Z",
"spacegroup": 71
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{
"id": "mp-1222403",
"created_at": "2022-09-04T14:44:59.610398Z",
"structure_string": "Li1 Au1\n1.0\n4.349236 -1.477795 0.000000\n4.349236 1.477795 0.000000\n3.847107 0.000000 2.509880\nLi Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Au"
],
"chemical_system": "Au-Li",
"density": 10.494755470169604,
"density_atomic": 0.06198974860514591,
"volume": 32.263399110380895,
"volume_molar": 9.714736541938628,
"formula_full": "Li1 Au1",
"formula_reduced": "LiAu",
"formula_anonymous": "AB",
"energy": -5.99316394,
"energy_per_atom": -2.99658197,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 8.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.230000Z",
"spacegroup": 166
},
{
"id": "mp-22898",
"created_at": "2022-09-04T14:41:35.911351Z",
"structure_string": "K1 I1\n1.0\n0.000000 3.592672 3.592672\n3.592672 0.000000 3.592672\n3.592672 3.592672 0.000000\nK I\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"I"
],
"chemical_system": "I-K",
"density": 2.972225316080415,
"density_atomic": 0.021564892236505834,
"volume": 92.7433338439933,
"volume_molar": 27.92567054800998,
"formula_full": "K1 I1",
"formula_reduced": "KI",
"formula_anonymous": "AB",
"energy": -5.99533565,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:28.188000Z",
"spacegroup": 225
},
{
"id": "mp-1093569",
"created_at": "2022-09-04T14:46:34.559847Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-4.905398 5.108005 6.847493\n4.905398 -5.108005 6.847493\n4.905398 5.108005 -6.847493\nLi Zn Pd\n2 1 1\ndirect\n0.726792 0.000000 0.726792 Li\n0.273208 0.000000 0.273208 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
"Li",
"Zn",
"Pd"
],
"chemical_system": "Li-Pd-Zn",
"density": 0.4493343026489218,
"density_atomic": 0.005828312635833888,
"volume": 686.3049822356859,
"volume_molar": 103.325630182815,
"formula_full": "Li2 Zn1 Pd1",
"formula_reduced": "Li2ZnPd",
"formula_anonymous": "ABC2",
"energy": -5.99614272,
"energy_per_atom": -1.49903568,
"energy_above_hull": null,
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"energy_uncorrected": -5.99614272,
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"total_magnetization": 3.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.860000Z",
"spacegroup": 71
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{
"id": "mp-1059621",
"created_at": "2022-09-04T14:44:05.426652Z",
"structure_string": "K1 Se1\n1.0\n0.000000 3.372713 3.372713\n3.372713 0.000000 3.372713\n3.372713 3.372713 0.000000\nK Se\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
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"elements": [
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],
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"density": 2.554920948508089,
"density_atomic": 0.026065246726245474,
"volume": 76.73052248479854,
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"formula_full": "K1 Se1",
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"formula_anonymous": "AB",
"energy": -5.999219930000001,
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"updated_at": "2021-11-28T01:36:26.177000Z",
"spacegroup": 225
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{
"id": "mp-1097470",
"created_at": "2022-09-04T14:42:05.424395Z",
"structure_string": "Li1 La1 Tl2\n1.0\n-5.946364 6.769157 9.519408\n5.946364 -6.769157 9.519408\n5.946364 6.769157 -9.519408\nLi La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.233983 0.233983 Tl\n0.000000 0.766017 0.766017 Tl\n",
"nsites": 4,
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"elements": [
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"density": 0.6008736889529516,
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"volume": 1532.6959501035353,
"volume_molar": 230.75276884513565,
"formula_full": "Li1 La1 Tl2",
"formula_reduced": "LiLaTl2",
"formula_anonymous": "ABC2",
"energy": -6.00063972,
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"updated_at": "2021-11-28T01:35:35.110000Z",
"spacegroup": 71
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{
"id": "mp-1183948",
"created_at": "2022-09-04T14:48:12.075617Z",
"structure_string": "Cs1 Ba3\n1.0\n0.000000 5.221284 5.221284\n5.221284 0.000000 5.221284\n5.221284 5.221284 0.000000\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 4,
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"elements": [
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"density": 3.1782873732697547,
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"volume": 284.68326931373963,
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"formula_full": "Cs1 Ba3",
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"formula_anonymous": "AB3",
"energy": -6.00099648,
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"updated_at": "2021-11-28T01:38:47.685000Z",
"spacegroup": 225
}
]
}