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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=140",
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"results": [
{
"id": "mp-1096621",
"created_at": "2022-09-04T14:48:04.832791Z",
"structure_string": "Mn1 Zn1 Pd2\n1.0\n-4.856570 5.193537 7.344018\n4.856570 -5.193537 7.344018\n4.856570 5.193537 -7.344018\nMn Zn Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.247501 0.247501 Pd\n0.000000 0.752499 0.752499 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Pd-Zn",
"density": 0.7467076445284941,
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"volume": 740.946083466003,
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"formula_full": "Mn1 Zn1 Pd2",
"formula_reduced": "MnZnPd2",
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"spacegroup": 71
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{
"id": "mp-1096155",
"created_at": "2022-09-04T14:45:02.548384Z",
"structure_string": "Li1 Ag1 Pb2\n1.0\n-5.547650 6.124165 8.655279\n5.547650 -6.124165 8.655279\n5.547650 6.124165 -8.655279\nLi Ag Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.257688 0.257688 Pb\n0.000000 0.742312 0.742312 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Li-Pb",
"density": 0.7471012844052582,
"density_atomic": 0.003400658263854875,
"volume": 1176.2428593650368,
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"formula_full": "Li1 Ag1 Pb2",
"formula_reduced": "LiAgPb2",
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"energy_uncorrected": -7.2305293,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.009000Z",
"spacegroup": 71
},
{
"id": "mp-1097127",
"created_at": "2022-09-04T14:47:59.818987Z",
"structure_string": "Na1 Bi1 Pd2\n1.0\n-5.323317 5.416255 8.569197\n5.323317 -5.416255 8.569197\n5.323317 5.416255 -8.569197\nNa Bi Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Bi\n0.000000 0.264810 0.264810 Pd\n0.000000 0.735190 0.735190 Pd\n",
"nsites": 4,
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"elements": [
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"Bi",
"Pd"
],
"chemical_system": "Bi-Na-Pd",
"density": 0.7473813472612426,
"density_atomic": 0.004047421562727665,
"volume": 988.283512850659,
"volume_molar": 148.78956062934844,
"formula_full": "Na1 Bi1 Pd2",
"formula_reduced": "NaBiPd2",
"formula_anonymous": "ABC2",
"energy": -9.8701802,
"energy_per_atom": -2.46754505,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.8701802,
"band_gap": 0.387,
"is_gap_direct": true,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.432000Z",
"spacegroup": 71
},
{
"id": "mp-1093751",
"created_at": "2022-09-04T14:44:26.381859Z",
"structure_string": "Ca1 Hf1 Rh2\n1.0\n-4.962541 5.743516 8.269315\n4.962541 -5.743516 8.269315\n4.962541 5.743516 -8.269315\nCa Hf Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Hf\n0.000000 0.274901 0.274901 Rh\n0.000000 0.725099 0.725099 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hf",
"Rh"
],
"chemical_system": "Ca-Hf-Rh",
"density": 0.7474661200744656,
"density_atomic": 0.004242760541850622,
"volume": 942.7824079497229,
"volume_molar": 141.93920916812436,
"formula_full": "Ca1 Hf1 Rh2",
"formula_reduced": "CaHfRh2",
"formula_anonymous": "ABC2",
"energy": -19.15311483,
"energy_per_atom": -4.7882787075,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.15311483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.547000Z",
"spacegroup": 71
},
{
"id": "mp-1093835",
"created_at": "2022-09-04T14:41:55.981325Z",
"structure_string": "La2 Hg1 Pb1\n1.0\n-6.110293 6.635819 9.385778\n6.110293 -6.635819 9.385778\n6.110293 6.635819 -9.385778\nLa Hg Pb\n2 1 1\ndirect\n0.000000 0.255506 0.255506 La\n0.000000 0.744494 0.744494 La\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-La-Pb",
"density": 0.747883006436318,
"density_atomic": 0.0026276841092592027,
"volume": 1522.2529930082353,
"volume_molar": 229.1805449056722,
"formula_full": "La2 Hg1 Pb1",
"formula_reduced": "La2HgPb",
"formula_anonymous": "ABC2",
"energy": -7.63728,
"energy_per_atom": -1.90932,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.63728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0059078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.863000Z",
"spacegroup": 71
},
{
"id": "mp-1097070",
"created_at": "2022-09-04T14:43:35.390990Z",
"structure_string": "Zr1 Ga1 Rh2\n1.0\n-4.703209 5.530166 7.819981\n4.703209 -5.530166 7.819981\n4.703209 5.530166 -7.819981\nZr Ga Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.264636 0.264636 Rh\n0.000000 0.735364 0.735364 Rh\n",
"nsites": 4,
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"elements": [
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"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Zr",
"density": 0.748566793754354,
"density_atomic": 0.004916565802854708,
"volume": 813.5760122802542,
"volume_molar": 122.48673162277949,
"formula_full": "Zr1 Ga1 Rh2",
"formula_reduced": "ZrGaRh2",
"formula_anonymous": "ABC2",
"energy": -18.82763248,
"energy_per_atom": -4.70690812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82763248,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.985000Z",
"spacegroup": 71
},
{
"id": "mp-1097125",
"created_at": "2022-09-04T14:48:27.451060Z",
"structure_string": "In2 Sn1 Hg1\n1.0\n-5.796529 6.153839 8.533711\n5.796529 -6.153839 8.533711\n5.796529 6.153839 -8.533711\nIn Sn Hg\n2 1 1\ndirect\n0.000000 0.239687 0.239687 In\n0.000000 0.760313 0.760313 In\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Sn",
"Hg"
],
"chemical_system": "Hg-In-Sn",
"density": 0.7486153805827451,
"density_atomic": 0.0032850949462438044,
"volume": 1217.620819323235,
"volume_molar": 183.31709915677627,
"formula_full": "In2 Sn1 Hg1",
"formula_reduced": "In2SnHg",
"formula_anonymous": "ABC2",
"energy": -6.07700574,
"energy_per_atom": -1.519251435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.07700574,
"band_gap": 0.6062000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2863612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:25.423000Z",
"spacegroup": 71
},
{
"id": "mp-1095741",
"created_at": "2022-09-04T14:47:57.046630Z",
"structure_string": "Mg1 Zn2 Pt1\n1.0\n-5.106305 5.276678 7.205836\n5.106305 -5.276678 7.205836\n5.106305 5.276678 -7.205836\nMg Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.263447 0.263447 Zn\n0.000000 0.736553 0.736553 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Pt"
],
"chemical_system": "Mg-Pt-Zn",
"density": 0.7487937494306194,
"density_atomic": 0.005150486838741307,
"volume": 776.6256133133879,
"volume_molar": 116.9237190298638,
"formula_full": "Mg1 Zn2 Pt1",
"formula_reduced": "MgZn2Pt",
"formula_anonymous": "ABC2",
"energy": -5.36654704,
"energy_per_atom": -1.34163676,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -5.36654704,
"band_gap": 0.2315999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.115000Z",
"spacegroup": 71
},
{
"id": "mp-1093800",
"created_at": "2022-09-04T14:40:59.225077Z",
"structure_string": "Y1 Zn2 Pt1\n1.0\n-4.873840 5.529029 8.531445\n4.873840 -5.529029 8.531445\n4.873840 5.529029 -8.531445\nY Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.720718 0.000000 0.720718 Zn\n0.279282 0.000000 0.279282 Zn\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Pt"
],
"chemical_system": "Pt-Y-Zn",
"density": 0.7490198748096175,
"density_atomic": 0.004349679611608022,
"volume": 919.6079613140172,
"volume_molar": 138.45021467624113,
"formula_full": "Y1 Zn2 Pt1",
"formula_reduced": "YZn2Pt",
"formula_anonymous": "ABC2",
"energy": -8.00989446,
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"energy_above_hull": null,
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"energy_uncorrected": -8.00989446,
"band_gap": 0.1137000000000001,
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"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.433000Z",
"spacegroup": 71
},
{
"id": "mp-1095960",
"created_at": "2022-09-04T14:43:09.128045Z",
"structure_string": "Mg1 Cu2 Pt1\n1.0\n-4.828672 5.737697 6.930330\n4.828672 -5.737697 6.930330\n4.828672 5.737697 -6.930330\nMg Cu Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.252913 0.252913 Cu\n0.000000 0.747087 0.747087 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cu-Mg-Pt",
"density": 0.7491163908648225,
"density_atomic": 0.005208117447098275,
"volume": 768.0318350402442,
"volume_molar": 115.62989546933628,
"formula_full": "Mg1 Cu2 Pt1",
"formula_reduced": "MgCu2Pt",
"formula_anonymous": "ABC2",
"energy": -8.27632894,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.045000Z",
"spacegroup": 71
},
{
"id": "mp-1097522",
"created_at": "2022-09-04T14:45:35.922730Z",
"structure_string": "Be2 Ni1 Pd1\n1.0\n-7.213165 0.000000 -4.164523\n-7.199941 -0.000603 4.141619\n-4.804085 6.775904 -0.008127\nBe Ni Pd\n2 1 1\ndirect\n0.752850 0.000000 0.000000 Be\n0.247150 0.000000 0.000000 Be\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.7497578874762142,
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"volume": 405.6074857917634,
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"formula_full": "Be2 Ni1 Pd1",
"formula_reduced": "Be2NiPd",
"formula_anonymous": "ABC2",
"energy": -9.85158677,
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"energy_above_hull": null,
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"energy_uncorrected": -9.85158677,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:08.265000Z",
"spacegroup": 71
},
{
"id": "mp-1097339",
"created_at": "2022-09-04T14:47:17.017798Z",
"structure_string": "Cd1 In2 Bi1\n1.0\n-5.712744 6.150606 8.683020\n5.712744 -6.150606 8.683020\n5.712744 6.150606 -8.683020\nCd In Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.257404 0.257404 In\n0.000000 0.742596 0.742596 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"In",
"Bi"
],
"chemical_system": "Bi-Cd-In",
"density": 0.7497713290808158,
"density_atomic": 0.003277679827244395,
"volume": 1220.3754517911143,
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"formula_full": "Cd1 In2 Bi1",
"formula_reduced": "CdIn2Bi",
"formula_anonymous": "ABC2",
"energy": -6.94822849,
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"energy_uncorrected": -6.94822849,
"band_gap": 0.0186999999999999,
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"total_magnetization": 0.0007034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.961000Z",
"spacegroup": 71
}
]
}