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"results": [
{
"id": "mp-1097151",
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"structure_string": "Li2 Hg1 Bi1\n1.0\n-5.562050 5.763049 8.110341\n5.562050 -5.763049 8.110341\n5.562050 5.763049 -8.110341\nLi Hg Bi\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Li\n0.000000 0.744490 0.744490 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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{
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"elements": [
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"spacegroup": 216
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{
"id": "mp-1093670",
"created_at": "2022-09-04T14:46:16.121800Z",
"structure_string": "Li1 Hg2 Rh1\n1.0\n-5.340191 5.688039 7.784648\n5.340191 -5.688039 7.784648\n5.340191 5.688039 -7.784648\nLi Hg Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251017 0.251017 Hg\n0.000000 0.748983 0.748983 Hg\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Li-Rh",
"density": 0.8971688618652377,
"density_atomic": 0.004229038747312381,
"volume": 945.8414166912188,
"volume_molar": 142.39975369880833,
"formula_full": "Li1 Hg2 Rh1",
"formula_reduced": "LiHg2Rh",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -5.38885191,
"band_gap": 0.2458,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.656000Z",
"spacegroup": 71
},
{
"id": "mp-1096762",
"created_at": "2022-09-04T14:46:54.153108Z",
"structure_string": "Sr1 Li2 Si1\n1.0\n-6.105497 6.336943 8.868855\n6.105497 -6.336943 8.868855\n6.105497 6.336943 -8.868855\nSr Li Si\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.200532 0.200532 Li\n0.000000 0.799468 0.799468 Li\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"Li",
"Si"
],
"chemical_system": "Li-Si-Sr",
"density": 0.15677753805597824,
"density_atomic": 0.0029142823266306737,
"volume": 1372.5506151027485,
"volume_molar": 206.64232510933334,
"formula_full": "Sr1 Li2 Si1",
"formula_reduced": "SrLi2Si",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -5.46025058,
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"updated_at": "2021-11-28T01:37:45.383000Z",
"spacegroup": 71
},
{
"id": "mp-1093578",
"created_at": "2022-09-04T14:46:12.865612Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n-6.110811 6.598313 9.302533\n6.110811 -6.598313 9.302533\n6.110811 6.598313 -9.302533\nCa Hg Bi\n2 1 1\ndirect\n0.000000 0.267416 0.267416 Ca\n0.000000 0.732584 0.732584 Ca\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Bi-Ca-Hg",
"density": 0.542012919395413,
"density_atomic": 0.002666042178216822,
"volume": 1500.3513570349414,
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"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.958000Z",
"spacegroup": 71
},
{
"id": "mp-865100",
"created_at": "2022-09-04T14:43:58.445381Z",
"structure_string": "Na1 In1 Hg2\n1.0\n0.000000 3.711129 3.711129\n3.711129 0.000000 3.711129\n3.711129 3.711129 0.000000\nNa In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
],
"chemical_system": "Hg-In-Na",
"density": 8.755477969828611,
"density_atomic": 0.03913017977683796,
"volume": 102.22288838978682,
"volume_molar": 15.39001556942665,
"formula_full": "Na1 In1 Hg2",
"formula_reduced": "NaInHg2",
"formula_anonymous": "ABC2",
"energy": -5.39793804,
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"band_gap": 0.0,
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"total_magnetization": 0.0019639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.005000Z",
"spacegroup": 225
},
{
"id": "mp-973334",
"created_at": "2022-09-04T14:48:12.373812Z",
"structure_string": "Na2 Mg2\n1.0\n3.290952 0.000000 0.000000\n0.000000 5.530791 0.000000\n0.000000 0.000000 6.202480\nNa Mg\n2 2\ndirect\n0.500000 0.750000 0.349190 Na\n0.500000 0.250000 0.650810 Na\n0.000000 0.250000 0.134950 Mg\n0.000000 0.750000 0.865050 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.3912911939665598,
"density_atomic": 0.03543119688990069,
"volume": 112.89485964670192,
"volume_molar": 16.996718396822068,
"formula_full": "Na2 Mg2",
"formula_reduced": "NaMg",
"formula_anonymous": "AB",
"energy": -5.40005619,
"energy_per_atom": -1.3500140475,
"energy_above_hull": null,
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"energy_uncorrected": -5.40005619,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.792000Z",
"spacegroup": 51
},
{
"id": "mp-1187566",
"created_at": "2022-09-04T14:43:07.219910Z",
"structure_string": "Tl1 Zn3\n1.0\n4.311399 0.000000 0.000000\n0.000000 4.311399 0.000000\n0.000000 0.000000 4.311399\nTl Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
"chemical_system": "Tl-Zn",
"density": 8.300735178974698,
"density_atomic": 0.04991204237788621,
"volume": 80.14098020104704,
"volume_molar": 12.065506585376959,
"formula_full": "Tl1 Zn3",
"formula_reduced": "TlZn3",
"formula_anonymous": "AB3",
"energy": -5.40022949,
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"updated_at": "2021-11-28T01:36:08.121000Z",
"spacegroup": 221
},
{
"id": "mp-1096443",
"created_at": "2022-09-04T14:39:20.425879Z",
"structure_string": "Mg2 Hg1 Pt1\n1.0\n-5.255245 6.555867 9.124055\n5.255245 -6.555867 9.124055\n5.255245 6.555867 -9.124055\nMg Hg Pt\n2 1 1\ndirect\n0.000000 0.232476 0.232476 Mg\n0.000000 0.767524 0.767524 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Mg-Pt",
"density": 0.5867306595158562,
"density_atomic": 0.0031811855669195187,
"volume": 1257.392854285258,
"volume_molar": 189.3049189780998,
"formula_full": "Mg2 Hg1 Pt1",
"formula_reduced": "Mg2HgPt",
"formula_anonymous": "ABC2",
"energy": -5.40419075,
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"updated_at": "2021-11-28T01:34:34.895000Z",
"spacegroup": 71
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{
"id": "mp-406",
"created_at": "2022-09-04T14:40:18.881490Z",
"structure_string": "Cd1 Te1\n1.0\n0.000000 3.314524 3.314524\n3.314524 0.000000 3.314524\n3.314524 3.314524 0.000000\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Te\n",
"nsites": 2,
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"elements": [
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"density": 5.472512271905128,
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"volume": 72.82718102978095,
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"formula_full": "Cd1 Te1",
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"formula_anonymous": "AB",
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"spacegroup": 216
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{
"id": "mp-973111",
"created_at": "2022-09-04T14:44:22.099458Z",
"structure_string": "In2\n1.0\n1.711259 -2.963987 0.000000\n1.711259 2.963987 0.000000\n0.000000 0.000000 5.576016\nIn\n2\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n",
"nsites": 2,
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"elements": [
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"density": 6.741290216018945,
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"volume": 56.564772748048966,
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"formula_full": "In2",
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"spacegroup": 194
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{
"id": "mp-1096669",
"created_at": "2022-09-04T14:41:18.459220Z",
"structure_string": "Tl2 Hg1 Pb1\n1.0\n-5.942191 6.535831 9.233616\n5.942191 -6.535831 9.233616\n5.942191 6.535831 -9.233616\nTl Hg Pb\n2 1 1\ndirect\n0.000000 0.257294 0.257294 Tl\n0.000000 0.742706 0.742706 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"volume": 1434.429545526511,
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"formula_full": "Tl2 Hg1 Pb1",
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"updated_at": "2021-11-28T01:35:25.895000Z",
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]
}