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{
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"results": [
{
"id": "mp-1096330",
"created_at": "2022-09-04T14:47:25.764481Z",
"structure_string": "Li1 Ag1 Hg2\n1.0\n-5.464573 5.757897 8.131084\n5.464573 -5.757897 8.131084\n5.464573 5.757897 -8.131084\nLi Ag Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.244839 0.244839 Hg\n0.000000 0.755161 0.755161 Hg\n",
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{
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"elements": [
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"spacegroup": 139
},
{
"id": "mp-1093631",
"created_at": "2022-09-04T14:41:17.762349Z",
"structure_string": "Ba1 Hg2 Bi1\n1.0\n-5.992811 6.744829 9.402999\n5.992811 -6.744829 9.402999\n5.992811 6.744829 -9.402999\nBa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.267672 0.267672 Hg\n0.000000 0.732328 0.732328 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.8164414921943298,
"density_atomic": 0.002631068076865408,
"volume": 1520.2951360975444,
"volume_molar": 228.88578265806922,
"formula_full": "Ba1 Hg2 Bi1",
"formula_reduced": "BaHg2Bi",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.913000Z",
"spacegroup": 71
},
{
"id": "mp-1096141",
"created_at": "2022-09-04T14:39:44.327040Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n-6.343284 6.716797 8.963921\n6.343284 -6.716797 8.963921\n6.343284 6.716797 -8.963921\nSr Li Ga\n2 1 1\ndirect\n0.265312 0.000000 0.265311 Sr\n0.734689 0.000000 0.734689 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Li",
"Ga"
],
"chemical_system": "Ga-Li-Sr",
"density": 0.2738102933860131,
"density_atomic": 0.002618337348954047,
"volume": 1527.6870268828761,
"volume_molar": 229.9986578278646,
"formula_full": "Sr2 Li1 Ga1",
"formula_reduced": "Sr2LiGa",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.127000Z",
"spacegroup": 71
},
{
"id": "mp-1703",
"created_at": "2022-09-04T14:45:06.391769Z",
"structure_string": "Yb1 Zn1\n1.0\n3.611772 0.000000 0.000000\n0.000000 3.611772 0.000000\n0.000000 0.000000 3.611772\nYb Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Yb-Zn",
"density": 8.40395314491253,
"density_atomic": 0.0424491516396358,
"volume": 47.11519365519078,
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"formula_full": "Yb1 Zn1",
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"energy": -3.45236542,
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"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.479000Z",
"spacegroup": 221
},
{
"id": "mp-1096324",
"created_at": "2022-09-04T14:42:52.411171Z",
"structure_string": "Mg2 Cd1 Pb1\n1.0\n-5.631653 6.211150 8.780678\n5.631653 -6.211150 8.780678\n5.631653 6.211150 -8.780678\nMg Cd Pb\n2 1 1\ndirect\n0.000000 0.251134 0.251134 Mg\n0.000000 0.748866 0.748866 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Cd",
"Pb"
],
"chemical_system": "Cd-Mg-Pb",
"density": 0.4976931952973727,
"density_atomic": 0.0032558474159927967,
"volume": 1228.558801727596,
"volume_molar": 184.96385089851287,
"formula_full": "Mg2 Cd1 Pb1",
"formula_reduced": "Mg2CdPb",
"formula_anonymous": "ABC2",
"energy": -3.45331789,
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"energy_uncorrected": -3.45331789,
"band_gap": 0.4485999999999999,
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"total_magnetization": 1.9999953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.869000Z",
"spacegroup": 71
},
{
"id": "mp-1183943",
"created_at": "2022-09-04T14:39:31.538412Z",
"structure_string": "Cs3 Yb1\n1.0\n7.108280 0.000000 0.000000\n0.000000 7.108280 0.000000\n0.000000 0.000000 7.108280\nCs Yb\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Yb"
],
"chemical_system": "Cs-Yb",
"density": 2.643422112232733,
"density_atomic": 0.01113695363051883,
"volume": 359.16464526158353,
"volume_molar": 54.07350124451808,
"formula_full": "Cs3 Yb1",
"formula_reduced": "Cs3Yb",
"formula_anonymous": "AB3",
"energy": -3.46184103,
"energy_per_atom": -0.8654602575,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.269000Z",
"spacegroup": 221
},
{
"id": "mp-639727",
"created_at": "2022-09-04T14:42:26.535587Z",
"structure_string": "Cs4\n1.0\n2.737034 -4.740682 0.000000\n2.737034 4.740682 0.000000\n0.000000 0.000000 17.755878\nCs\n4\ndirect\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.500000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
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],
"chemical_system": "Cs",
"density": 1.9158377244386975,
"density_atomic": 0.008680941442910832,
"volume": 460.7795164044728,
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"formula_full": "Cs4",
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"formula_anonymous": "A",
"energy": -3.47676184,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:45.431000Z",
"spacegroup": 194
},
{
"id": "mp-725114",
"created_at": "2022-09-04T14:45:24.627547Z",
"structure_string": "K2 Mg1 Cr2 H4 O10\n1.0\n5.768909 0.000000 0.000000\n-2.224947 6.103870 0.000000\n-0.681228 -3.207834 6.933997\nK Mg Cr H O\n2 1 2 4 10\ndirect\n0.848954 0.216874 0.244200 K\n0.151046 0.783126 0.755800 K\n0.000000 0.000000 0.000000 Mg\n0.198709 0.872393 0.234729 Cr\n0.801291 0.127607 0.765271 Cr\n0.326929 0.358124 0.389575 H\n0.673071 0.641876 0.610425 H\n0.326474 0.262780 0.297574 H\n0.673526 0.737220 0.702426 H\n0.504207 0.451115 0.268032 O\n0.889988 0.452770 0.372454 O\n0.110012 0.547230 0.627546 O\n0.036744 0.902117 0.369183 O\n0.963256 0.097883 0.630817 O\n0.213475 0.081114 0.086428 O\n0.786525 0.918886 0.913572 O\n0.669288 0.079478 0.104015 O\n0.330712 0.920522 0.895985 O\n0.495793 0.548885 0.731968 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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"Mg",
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-K-Mg-O",
"density": 2.5198670278101445,
"density_atomic": 0.0778163735595481,
"volume": 244.16455214866144,
"volume_molar": 7.738912113903156,
"formula_full": "K2 Mg1 Cr2 H4 O10",
"formula_reduced": "K2MgCr2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -14.345496730000002,
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"updated_at": "2021-11-28T01:37:08.148000Z",
"spacegroup": 2
},
{
"id": "mp-1039275",
"created_at": "2022-09-04T14:45:00.119908Z",
"structure_string": "Ca1 Zn1\n1.0\n3.013921 -2.449982 0.000000\n3.013921 2.449982 0.000000\n1.022358 0.000000 3.747121\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"density": 3.165377913303534,
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"volume": 55.337874123100725,
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"formula_full": "Ca1 Zn1",
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"energy": -3.4821986,
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"updated_at": "2021-11-28T01:36:48.201000Z",
"spacegroup": 166
},
{
"id": "mp-1811",
"created_at": "2022-09-04T14:42:26.360458Z",
"structure_string": "Hg1 Te1\n1.0\n0.000000 3.077117 3.077117\n3.077117 0.000000 3.077117\n3.077117 3.077117 0.000000\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
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"volume": 58.27228180488751,
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"formula_full": "Hg1 Te1",
"formula_reduced": "HgTe",
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"energy": -3.90656384,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:44.285000Z",
"spacegroup": 225
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{
"id": "mp-976599",
"created_at": "2022-09-04T14:40:57.043494Z",
"structure_string": "Li1 Hg3\n1.0\n4.537367 0.000000 0.000000\n0.000000 4.537367 0.000000\n0.000000 0.000000 4.537367\nLi Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 93.4139473765704,
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"formula_full": "Li1 Hg3",
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"formula_anonymous": "AB3",
"energy": -3.4920656,
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"updated_at": "2021-11-28T01:34:59.453000Z",
"spacegroup": 221
}
]
}