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{
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"results": [
{
"id": "mp-574379",
"created_at": "2022-09-04T14:43:03.222227Z",
"structure_string": "Cs2 Hg4\n1.0\n-2.893306 4.497847 4.759781\n2.893306 -4.497847 4.759781\n2.893306 4.497847 -4.759781\nCs Hg\n2 4\ndirect\n0.310016 0.060016 0.250000 Cs\n0.689984 0.939984 0.750000 Cs\n0.906090 0.334108 0.571982 Hg\n0.093910 0.665892 0.428018 Hg\n0.262125 0.334108 0.928018 Hg\n0.737875 0.665892 0.071982 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
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],
"chemical_system": "Cs-Hg",
"density": 7.158859401908476,
"density_atomic": 0.024216158029134696,
"volume": 247.7684524845494,
"volume_molar": 24.86827494582214,
"formula_full": "Cs2 Hg4",
"formula_reduced": "CsHg2",
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"updated_at": "2021-11-28T01:36:09.969000Z",
"spacegroup": 74
},
{
"id": "mp-1097218",
"created_at": "2022-09-04T14:42:52.462496Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-5.868143 5.922758 8.383652\n5.868143 -5.922758 8.383652\n5.868143 5.922758 -8.383652\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.237874 0.237874 Cd\n0.000000 0.762126 0.762126 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 0.49378277643198976,
"density_atomic": 0.003431958919346041,
"volume": 1165.5151165860107,
"volume_molar": 175.47240224971915,
"formula_full": "Li1 Cd2 In1",
"formula_reduced": "LiCd2In",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -3.03514741,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.0696575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.570000Z",
"spacegroup": 71
},
{
"id": "mp-1093766",
"created_at": "2022-09-04T14:42:04.973341Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n-6.223460 6.789714 9.322966\n6.223460 -6.789714 9.322966\n6.223460 6.789714 -9.322966\nCa Zn In\n2 1 1\ndirect\n0.000000 0.256219 0.256219 Ca\n0.000000 0.743781 0.743781 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"In"
],
"chemical_system": "Ca-In-Zn",
"density": 0.27438745309605744,
"density_atomic": 0.002538414360220736,
"volume": 1575.7868623356537,
"volume_molar": 237.24025731860124,
"formula_full": "Ca2 Zn1 In1",
"formula_reduced": "Ca2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.05550134,
"energy_per_atom": -0.763875335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.05550134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6635124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.455000Z",
"spacegroup": 71
},
{
"id": "mp-1097309",
"created_at": "2022-09-04T14:48:11.098255Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"In",
"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 0.5207355583039572,
"density_atomic": 0.002125839543591916,
"volume": 1881.6095561198456,
"volume_molar": 283.28294005787075,
"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
"energy": -3.05814698,
"energy_per_atom": -0.764536745,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.05814698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2287469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.337000Z",
"spacegroup": 71
},
{
"id": "mp-1097201",
"created_at": "2022-09-04T14:42:00.666246Z",
"structure_string": "Cd1 In2 Hg1\n1.0\n-6.093363 6.119091 8.625274\n6.093363 -6.119091 8.625274\n6.093363 6.119091 -8.625274\nCd In Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750284 0.000000 0.750284 In\n0.249716 0.000000 0.249716 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"In",
"Hg"
],
"chemical_system": "Cd-Hg-In",
"density": 0.7004572680600556,
"density_atomic": 0.0031094468427921014,
"volume": 1286.40243819323,
"volume_molar": 193.67241392017075,
"formula_full": "Cd1 In2 Hg1",
"formula_reduced": "CdIn2Hg",
"formula_anonymous": "ABC2",
"energy": -3.08135271,
"energy_per_atom": -0.7703381775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.08135271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7852873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.003000Z",
"spacegroup": 71
},
{
"id": "mp-1093779",
"created_at": "2022-09-04T14:40:07.568343Z",
"structure_string": "K1 Na2 Tl1\n1.0\n-6.988985 7.105538 10.012567\n6.988985 -7.105538 10.012567\n6.988985 7.105538 -10.012567\nK Na Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.261422 0.261422 Na\n0.000000 0.738578 0.738578 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"Tl"
],
"chemical_system": "K-Na-Tl",
"density": 0.2416700668348954,
"density_atomic": 0.002011145492899554,
"volume": 1988.916273895744,
"volume_molar": 299.4383440313721,
"formula_full": "K1 Na2 Tl1",
"formula_reduced": "KNa2Tl",
"formula_anonymous": "ABC2",
"energy": -3.10075358,
"energy_per_atom": -0.775188395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.10075358,
"band_gap": 0.4707999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.614000Z",
"spacegroup": 71
},
{
"id": "mp-1093755",
"created_at": "2022-09-04T14:46:11.847803Z",
"structure_string": "Ca1 Cd2 Ag1\n1.0\n-6.076641 6.452671 9.096077\n6.076641 -6.452671 9.096077\n6.076641 6.452671 -9.096077\nCa Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.273937 0.273937 Cd\n0.000000 0.726063 0.726063 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Ag"
],
"chemical_system": "Ag-Ca-Cd",
"density": 0.43388110010760905,
"density_atomic": 0.002803772487947881,
"volume": 1426.6492795667791,
"volume_molar": 214.78706941759341,
"formula_full": "Ca1 Cd2 Ag1",
"formula_reduced": "CaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -3.10897079,
"energy_per_atom": -0.7772426975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.10897079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.710000Z",
"spacegroup": 71
},
{
"id": "mp-1095813",
"created_at": "2022-09-04T14:41:45.555962Z",
"structure_string": "Ca2 Ga1 Hg1\n1.0\n-6.134766 6.323271 8.915663\n6.134766 -6.323271 8.915663\n6.134766 6.323271 -8.915663\nCa Ga Hg\n2 1 1\ndirect\n0.000000 0.233437 0.233437 Ca\n0.000000 0.766563 0.766563 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Hg"
],
"chemical_system": "Ca-Ga-Hg",
"density": 0.42067361559243605,
"density_atomic": 0.0028913892275679205,
"volume": 1383.4180337472526,
"volume_molar": 208.27845322870965,
"formula_full": "Ca2 Ga1 Hg1",
"formula_reduced": "Ca2GaHg",
"formula_anonymous": "ABC2",
"energy": -3.12074854,
"energy_per_atom": -0.780187135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.12074854,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8464312,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.736000Z",
"spacegroup": 71
},
{
"id": "mp-1096378",
"created_at": "2022-09-04T14:39:21.373829Z",
"structure_string": "Sr1 Hg2 Bi1\n1.0\n-6.045760 6.446940 9.041174\n6.045760 -6.446940 9.041174\n6.045760 6.446940 -9.041174\nSr Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.261840 0.261840 Hg\n0.000000 0.738160 0.738160 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Sr",
"density": 0.8220126742627188,
"density_atomic": 0.002837727189026709,
"volume": 1409.5787697519754,
"volume_molar": 212.21704409385066,
"formula_full": "Sr1 Hg2 Bi1",
"formula_reduced": "SrHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.12091105,
"energy_per_atom": -0.7802277625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -3.12091105,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.9992635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.872000Z",
"spacegroup": 71
},
{
"id": "mp-1095781",
"created_at": "2022-09-04T14:43:01.198516Z",
"structure_string": "Ba2 Mg1 In1\n1.0\n-7.119667 7.256252 9.501031\n7.119667 -7.256252 9.501031\n7.119667 7.256252 -9.501031\nBa Mg In\n2 1 1\ndirect\n0.732615 0.000000 0.732615 Ba\n0.267385 0.000000 0.267385 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"In"
],
"chemical_system": "Ba-In-Mg",
"density": 0.3499553839748595,
"density_atomic": 0.002037310515320815,
"volume": 1963.3727749989648,
"volume_molar": 295.5926803848893,
"formula_full": "Ba2 Mg1 In1",
"formula_reduced": "Ba2MgIn",
"formula_anonymous": "ABC2",
"energy": -3.14161037,
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"energy_above_hull": null,
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"energy_uncorrected": -3.14161037,
"band_gap": 0.0,
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"total_magnetization": 2.3671317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.673000Z",
"spacegroup": 71
},
{
"id": "mp-1093809",
"created_at": "2022-09-04T14:48:23.004610Z",
"structure_string": "Na1 Hg2 Pb1\n1.0\n-5.987376 6.065027 8.784337\n5.987376 -6.065027 8.784337\n5.987376 6.065027 -8.784337\nNa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.249769 0.249769 Hg\n0.000000 0.750231 0.750231 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Na-Pb",
"density": 0.8216647017492857,
"density_atomic": 0.0031348859156246247,
"volume": 1275.9634984046945,
"volume_molar": 192.10079480037766,
"formula_full": "Na1 Hg2 Pb1",
"formula_reduced": "NaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -3.14733028,
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"energy_above_hull": null,
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"energy_uncorrected": -3.14733028,
"band_gap": 0.0,
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"total_magnetization": 2.9096091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:11.197000Z",
"spacegroup": 71
},
{
"id": "mp-1093603",
"created_at": "2022-09-04T14:40:15.814535Z",
"structure_string": "Ba2 Zn1 In1\n1.0\n-6.703487 7.025847 9.288618\n6.703487 -7.025847 9.288618\n6.703487 7.025847 -9.288618\nBa Zn In\n2 1 1\ndirect\n0.740505 0.000000 0.740505 Ba\n0.259495 0.000000 0.259495 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 0.43165456785755274,
"density_atomic": 0.002285858998932451,
"volume": 1749.8892109566218,
"volume_molar": 263.45197856965274,
"formula_full": "Ba2 Zn1 In1",
"formula_reduced": "Ba2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.15202952,
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"energy_above_hull": null,
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"energy_uncorrected": -3.15202952,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.2773028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.327000Z",
"spacegroup": 71
}
]
}