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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=89",
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"results": [
{
"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",
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"elements": [
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"chemical_system": "Hg-Li-Rh",
"density": 0.8971688618652377,
"density_atomic": 0.004229038747312381,
"volume": 945.8414166912188,
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"formula_full": "Li1 Hg2 Rh1",
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"spacegroup": 71
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{
"id": "mp-1097227",
"created_at": "2022-09-04T14:45:39.832408Z",
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"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Sb-Sr",
"density": 0.5332884598962254,
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"volume": 1549.3821754745647,
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"formula_full": "Sr2 Hg1 Sb1",
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"total_magnetization": 0.0043102,
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"updated_at": "2021-11-28T01:37:16.991000Z",
"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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"Hg",
"Bi"
],
"chemical_system": "Bi-Ca-Hg",
"density": 0.542012919395413,
"density_atomic": 0.002666042178216822,
"volume": 1500.3513570349414,
"volume_molar": 225.88317653803583,
"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.39313568,
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"energy_above_hull": null,
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"energy_uncorrected": -5.39313568,
"band_gap": 0.0,
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"total_magnetization": 0.0008611,
"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,
"nelements": 3,
"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",
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"band_gap": 0.0,
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"is_magnetic": false,
"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,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0044096,
"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,
"nelements": 2,
"elements": [
"Tl",
"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,
"energy_per_atom": -1.3500573725,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.003113,
"is_theoretical": true,
"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,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Pt"
],
"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,
"energy_per_atom": -1.3510476875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -5.40419075,
"band_gap": 0.0294000000000003,
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"total_magnetization": 0.0027057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.895000Z",
"spacegroup": 71
},
{
"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,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.741290216018945,
"density_atomic": 0.03535769530814537,
"volume": 56.564772748048966,
"volume_molar": 17.032051177308144,
"formula_full": "In2",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -5.4079664,
"energy_per_atom": -2.7039832,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 1.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.865000Z",
"spacegroup": 194
},
{
"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,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Tl",
"density": 0.9452706398991341,
"density_atomic": 0.00278856498213845,
"volume": 1434.429545526511,
"volume_molar": 215.95841583658697,
"formula_full": "Tl2 Hg1 Pb1",
"formula_reduced": "Tl2HgPb",
"formula_anonymous": "ABC2",
"energy": -5.41379928,
"energy_per_atom": -1.35344982,
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"energy_uncorrected": -5.41379928,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:25.895000Z",
"spacegroup": 71
},
{
"id": "mp-23302",
"created_at": "2022-09-04T14:43:08.148441Z",
"structure_string": "Rb1 I1\n1.0\n4.487542 0.000000 0.000000\n0.000000 4.487542 0.000000\n0.000000 0.000000 4.487542\nRb I\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"I"
],
"chemical_system": "I-Rb",
"density": 3.9023060550311066,
"density_atomic": 0.022131172172448702,
"volume": 90.37026979031045,
"volume_molar": 27.211124259821258,
"formula_full": "Rb1 I1",
"formula_reduced": "RbI",
"formula_anonymous": "AB",
"energy": -5.797005990000001,
"energy_per_atom": -2.8985029950000003,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:01.370000Z",
"spacegroup": 221
},
{
"id": "mp-1185577",
"created_at": "2022-09-04T14:44:14.008628Z",
"structure_string": "Cs2 Hg6\n1.0\n3.922969 -6.794781 0.000000\n3.922969 6.794781 0.000000\n0.000000 0.000000 5.920655\nCs Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.140578 0.281156 0.250000 Hg\n0.718844 0.859422 0.250000 Hg\n0.140578 0.859422 0.250000 Hg\n0.859422 0.718844 0.750000 Hg\n0.281156 0.140578 0.750000 Hg\n0.859422 0.140578 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cs-Hg",
"density": 7.730089655937429,
"density_atomic": 0.0253454435648675,
"volume": 315.63858724844624,
"volume_molar": 23.760250021221058,
"formula_full": "Cs2 Hg6",
"formula_reduced": "CsHg3",
"formula_anonymous": "AB3",
"energy": -5.4190519,
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"updated_at": "2021-11-28T01:36:35.600000Z",
"spacegroup": 194
},
{
"id": "mp-1094232",
"created_at": "2022-09-04T14:45:53.832671Z",
"structure_string": "Mg1 Sn1\n1.0\n0.000000 2.996797 2.996797\n2.996797 0.000000 2.996797\n2.996797 2.996797 0.000000\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 2,
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"elements": [
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"density": 4.411931047871228,
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"volume": 53.82722260004151,
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"formula_full": "Mg1 Sn1",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -5.4199715,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:14.301000Z",
"spacegroup": 225
}
]
}