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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=103",
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"results": [
{
"id": "mp-1096538",
"created_at": "2022-09-04T14:46:00.002287Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n-4.677771 5.733713 7.852329\n4.677771 -5.733713 7.852329\n4.677771 5.733713 -7.852329\nAl Ni Pt\n2 1 1\ndirect\n0.500000 0.250699 0.750699 Al\n0.500000 0.749301 0.249301 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.606597105593812,
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"volume": 842.429151165306,
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"formula_full": "Al2 Ni1 Pt1",
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{
"id": "mp-1096299",
"created_at": "2022-09-04T14:43:21.353508Z",
"structure_string": "Li2 Hg1 Sb1\n1.0\n-5.434846 5.526715 7.660605\n5.434846 -5.526715 7.660605\n5.434846 5.526715 -7.660605\nLi Hg Sb\n2 1 1\ndirect\n0.239994 0.000000 0.239994 Li\n0.760006 0.000000 0.760006 Li\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Li-Sb",
"density": 0.6066116801475472,
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"volume": 920.4016172343541,
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"formula_full": "Li2 Hg1 Sb1",
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"updated_at": "2021-11-28T01:36:20.502000Z",
"spacegroup": 71
},
{
"id": "mp-1096223",
"created_at": "2022-09-04T14:48:10.440688Z",
"structure_string": "Ti1 Be1 Cu2\n1.0\n-7.967434 0.000000 -4.600000\n-7.799430 0.040588 4.309009\n-5.274755 7.181448 -0.063857\nTi Be Cu\n1 1 2\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Be\n0.771684 0.000000 0.000000 Cu\n0.228316 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Cu"
],
"chemical_system": "Be-Cu-Ti",
"density": 0.6070502072424695,
"density_atomic": 0.007948509669660478,
"volume": 503.2389927470342,
"volume_molar": 75.76440125608147,
"formula_full": "Ti1 Be1 Cu2",
"formula_reduced": "TiBeCu2",
"formula_anonymous": "ABC2",
"energy": -10.19049662,
"energy_per_atom": -2.547624155,
"energy_above_hull": null,
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"energy_uncorrected": -10.19049662,
"band_gap": 0.2543000000000002,
"is_gap_direct": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.256000Z",
"spacegroup": 71
},
{
"id": "mp-1096433",
"created_at": "2022-09-04T14:41:30.270959Z",
"structure_string": "Li1 Be2 Os1\n1.0\n-4.672184 4.718864 6.672237\n4.672184 -4.718864 6.672237\n4.672184 4.718864 -6.672237\nLi Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.274179 0.274179 Be\n0.000000 0.725821 0.725821 Be\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
"Os"
],
"chemical_system": "Be-Li-Os",
"density": 0.607285839050836,
"density_atomic": 0.006797843108892766,
"volume": 588.4219355941448,
"volume_molar": 88.58899306048984,
"formula_full": "Li1 Be2 Os1",
"formula_reduced": "LiBe2Os",
"formula_anonymous": "ABC2",
"energy": -9.59955191,
"energy_per_atom": -2.3998879775,
"energy_above_hull": null,
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"energy_uncorrected": -9.59955191,
"band_gap": 0.5736000000000003,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.340000Z",
"spacegroup": 71
},
{
"id": "mp-1093550",
"created_at": "2022-09-04T14:46:36.187894Z",
"structure_string": "Ca1 Sb1 Pd2\n1.0\n-4.968552 6.008016 8.578464\n4.968552 -6.008016 8.578464\n4.968552 6.008016 -8.578464\nCa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sb\n0.000000 0.246030 0.246030 Pd\n0.000000 0.753970 0.753970 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sb",
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],
"chemical_system": "Ca-Pd-Sb",
"density": 0.6074028794582432,
"density_atomic": 0.0039050765077116175,
"volume": 1024.3077164047697,
"volume_molar": 154.21313124359213,
"formula_full": "Ca1 Sb1 Pd2",
"formula_reduced": "CaSbPd2",
"formula_anonymous": "ABC2",
"energy": -11.62453303,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -11.62453303,
"band_gap": 0.0245999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.002453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.264000Z",
"spacegroup": 71
},
{
"id": "mp-1096510",
"created_at": "2022-09-04T14:40:22.315184Z",
"structure_string": "Y2 Sn1 Hg1\n1.0\n-6.024798 6.319706 8.921769\n6.024798 -6.319706 8.921769\n6.024798 6.319706 -8.921769\nY Sn Hg\n2 1 1\ndirect\n0.000000 0.233193 0.233193 Y\n0.000000 0.766807 0.766807 Y\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Hg-Sn-Y",
"density": 0.607509048963736,
"density_atomic": 0.002943809213983619,
"volume": 1358.7837081966068,
"volume_molar": 204.5696688288683,
"formula_full": "Y2 Sn1 Hg1",
"formula_reduced": "Y2SnHg",
"formula_anonymous": "ABC2",
"energy": -10.52790831,
"energy_per_atom": -2.6319770775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.52790831,
"band_gap": 0.1323000000000003,
"is_gap_direct": true,
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"total_magnetization": 0.0003059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.738000Z",
"spacegroup": 71
},
{
"id": "mp-1096682",
"created_at": "2022-09-04T14:45:09.116652Z",
"structure_string": "V1 Zn1 Fe2\n1.0\n-4.497952 4.840844 7.156109\n4.497952 -4.840844 7.156109\n4.497952 4.840844 -7.156109\nV Zn Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Zn\n0.000000 0.220267 0.220267 Fe\n0.000000 0.779733 0.779733 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Zn",
"Fe"
],
"chemical_system": "Fe-V-Zn",
"density": 0.6075586938405791,
"density_atomic": 0.006417814336548319,
"volume": 623.2651476407952,
"volume_molar": 93.83476124737628,
"formula_full": "V1 Zn1 Fe2",
"formula_reduced": "VZnFe2",
"formula_anonymous": "ABC2",
"energy": -16.81036157,
"energy_per_atom": -4.2025903925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -16.81036157,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0976362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.268000Z",
"spacegroup": 71
},
{
"id": "mp-1095847",
"created_at": "2022-09-04T14:47:25.779520Z",
"structure_string": "Be1 Co2 P1\n1.0\n-4.214202 4.286336 5.966350\n4.214202 -4.286336 5.966350\n4.214202 4.286336 -5.966350\nBe Co P\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.740531 0.000000 0.740531 Co\n0.259469 0.000000 0.259469 Co\n0.500000 0.000000 0.500000 P\n",
"nsites": 4,
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"elements": [
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"Co",
"P"
],
"chemical_system": "Be-Co-P",
"density": 0.6080367467850146,
"density_atomic": 0.00927875511212203,
"volume": 431.0923126718029,
"volume_molar": 64.90246468658822,
"formula_full": "Be1 Co2 P1",
"formula_reduced": "BeCo2P",
"formula_anonymous": "ABC2",
"energy": -14.09931895,
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"energy_above_hull": null,
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"energy_uncorrected": -14.09931895,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.337000Z",
"spacegroup": 71
},
{
"id": "mp-1095732",
"created_at": "2022-09-04T14:42:08.596989Z",
"structure_string": "Zr2 Co1 Rh1\n1.0\n-4.522870 6.072855 8.557916\n4.522870 -6.072855 8.557916\n4.522870 6.072855 -8.557916\nZr Co Rh\n2 1 1\ndirect\n0.000000 0.240540 0.240540 Zr\n0.000000 0.759460 0.759460 Zr\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Co",
"Rh"
],
"chemical_system": "Co-Rh-Zr",
"density": 0.6080430231847549,
"density_atomic": 0.004254269163692138,
"volume": 940.231998985352,
"volume_molar": 141.55523612364917,
"formula_full": "Zr2 Co1 Rh1",
"formula_reduced": "Zr2CoRh",
"formula_anonymous": "ABC2",
"energy": -20.28846092,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:38.184000Z",
"spacegroup": 71
},
{
"id": "mp-1097429",
"created_at": "2022-09-04T14:47:58.075799Z",
"structure_string": "Ca1 Sn1 Pd2\n1.0\n-5.011081 5.981352 8.462310\n5.011081 -5.981352 8.462310\n5.011081 5.981352 -8.462310\nCa Sn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.247980 0.247980 Pd\n0.000000 0.752020 0.752020 Pd\n",
"nsites": 4,
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],
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"density": 0.6082439802180609,
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"volume": 1014.5646028772665,
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"formula_full": "Ca1 Sn1 Pd2",
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"updated_at": "2021-11-28T01:38:18.783000Z",
"spacegroup": 71
},
{
"id": "mp-1096029",
"created_at": "2022-09-04T14:47:25.406846Z",
"structure_string": "Ca1 Ag2 Pb1\n1.0\n-5.703744 6.521317 8.492713\n5.703744 -6.521317 8.492713\n5.703744 6.521317 -8.492713\nCa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.250137 0.250137 Ag\n0.000000 0.749863 0.749863 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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],
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"density": 0.608473711359912,
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"volume": 1263.5771854136563,
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"formula_full": "Ca1 Ag2 Pb1",
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"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:04.708000Z",
"spacegroup": 71
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{
"id": "mp-1096706",
"created_at": "2022-09-04T14:41:31.826503Z",
"structure_string": "Sr2 Pd1 Au1\n1.0\n-5.768863 6.327031 8.943889\n5.768863 -6.327031 8.943889\n5.768863 6.327031 -8.943889\nSr Pd Au\n2 1 1\ndirect\n0.000000 0.236115 0.236115 Sr\n0.000000 0.763885 0.763885 Sr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.6086523746894209,
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"volume": 1305.7997457789834,
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"formula_full": "Sr2 Pd1 Au1",
"formula_reduced": "Sr2PdAu",
"formula_anonymous": "ABC2",
"energy": -9.19921192,
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"energy_uncorrected": -9.19921192,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:09.430000Z",
"spacegroup": 71
}
]
}