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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1755",
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"results": [
{
"id": "mp-321",
"created_at": "2022-09-04T14:47:20.996496Z",
"structure_string": "Rh2 Pb4\n1.0\n-3.406370 3.406370 2.974163\n3.406370 -3.406370 2.974163\n3.406370 3.406370 -2.974163\nRh Pb\n2 4\ndirect\n0.750000 0.750000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n0.667249 0.167249 0.834498 Pb\n0.332751 0.832751 0.165502 Pb\n0.832751 0.667249 0.500000 Pb\n0.167249 0.332751 0.500000 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rh",
"Pb"
],
"chemical_system": "Pb-Rh",
"density": 12.445655994001731,
"density_atomic": 0.043465317267446665,
"volume": 138.04109522729053,
"volume_molar": 13.855048435388463,
"formula_full": "Rh2 Pb4",
"formula_reduced": "RhPb2",
"formula_anonymous": "AB2",
"energy": -30.0014006,
"energy_per_atom": -5.000233433333333,
"energy_above_hull": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -30.0014006,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:07.711000Z",
"spacegroup": 140
},
{
"id": "mp-1184936",
"created_at": "2022-09-04T14:46:28.075882Z",
"structure_string": "K1 Al1 O3\n1.0\n3.867014 0.000000 0.000000\n0.000000 3.867014 0.000000\n0.000000 0.000000 3.867014\nK Al O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Al",
"O"
],
"chemical_system": "Al-K-O",
"density": 3.275849264581703,
"density_atomic": 0.08646548287809948,
"volume": 57.826543420211806,
"volume_molar": 6.9647916828153456,
"formula_full": "K1 Al1 O3",
"formula_reduced": "KAlO3",
"formula_anonymous": "ABC3",
"energy": -30.00279104,
"energy_per_atom": -6.000558208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.94179104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.405000Z",
"spacegroup": 221
},
{
"id": "mp-865804",
"created_at": "2022-09-04T14:45:55.655406Z",
"structure_string": "Ta1 Zn1 Rh2\n1.0\n0.000000 3.110348 3.110348\n3.110348 0.000000 3.110348\n3.110348 3.110348 0.000000\nTa Zn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"Rh"
],
"chemical_system": "Rh-Ta-Zn",
"density": 12.476473909289775,
"density_atomic": 0.06646653636359627,
"volume": 60.180659604684934,
"volume_molar": 9.060410079226465,
"formula_full": "Ta1 Zn1 Rh2",
"formula_reduced": "TaZnRh2",
"formula_anonymous": "ABC2",
"energy": -30.00339761,
"energy_per_atom": -7.5008494025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00339761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024565,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.860000Z",
"spacegroup": 225
},
{
"id": "mp-1112445",
"created_at": "2022-09-04T14:45:09.259384Z",
"structure_string": "K2 Tl1 Ag1 Br6\n1.0\n0.000000 5.598411 5.598411\n5.598411 0.000000 5.598411\n5.598411 5.598411 0.000000\nK Tl Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748349 0.251651 0.251651 Br\n0.251651 0.251651 0.748349 Br\n0.251651 0.748349 0.748349 Br\n0.251651 0.748349 0.251651 Br\n0.748349 0.251651 0.748349 Br\n0.748349 0.748349 0.251651 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Tl",
"density": 4.116045510673685,
"density_atomic": 0.028495459790478406,
"volume": 350.93309858932133,
"volume_molar": 21.1336851704785,
"formula_full": "K2 Tl1 Ag1 Br6",
"formula_reduced": "K2TlAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.00442795,
"energy_per_atom": -3.000442795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.80042795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029737,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.159000Z",
"spacegroup": 225
},
{
"id": "mp-1187180",
"created_at": "2022-09-04T14:40:40.314783Z",
"structure_string": "Pa3 H1\n1.0\n4.285466 0.000000 0.000000\n0.000000 4.285466 0.000000\n0.000000 0.000000 4.285466\nPa H\n3 1\ndirect\n0.000000 0.500000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n0.500000 0.000000 0.500000 Pa\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pa",
"H"
],
"chemical_system": "H-Pa",
"density": 14.64491072331565,
"density_atomic": 0.0508236474530182,
"volume": 78.7035209091916,
"volume_molar": 11.849092030568874,
"formula_full": "Pa3 H1",
"formula_reduced": "Pa3H",
"formula_anonymous": "AB3",
"energy": -30.00452432,
"energy_per_atom": -7.50113108,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.82552432,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.909000Z",
"spacegroup": 221
},
{
"id": "mp-675475",
"created_at": "2022-09-04T14:39:45.270643Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n-2.767214 2.769659 5.473449\n2.767214 -2.769659 5.473449\n2.767214 2.769659 -5.473449\nLi Mn Br\n2 1 4\ndirect\n0.242818 0.748420 0.494398 Li\n0.745979 0.251580 0.494398 Li\n0.507803 0.500000 0.007803 Mn\n0.733089 0.737670 0.995419 Br\n0.257749 0.262330 0.995419 Br\n0.997122 0.500000 0.497122 Br\n0.498693 0.000000 0.498693 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Br"
],
"chemical_system": "Br-Li-Mn",
"density": 3.8439568649573403,
"density_atomic": 0.04171650580702112,
"volume": 167.79928866482058,
"volume_molar": 14.435870510963172,
"formula_full": "Li2 Mn1 Br4",
"formula_reduced": "Li2MnBr4",
"formula_anonymous": "AB2C4",
"energy": -30.0053047,
"energy_per_atom": -4.2864721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.8693047,
"band_gap": 1.4413999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0010905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.538000Z",
"spacegroup": 44
},
{
"id": "mp-5982",
"created_at": "2022-09-04T14:41:55.951190Z",
"structure_string": "La1 Ni2 As2\n1.0\n-2.074364 2.074364 5.054984\n2.074364 -2.074364 5.054984\n2.074364 2.074364 -5.054984\nLa Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.634114 0.634114 0.000000 As\n0.365886 0.365886 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Ni",
"As"
],
"chemical_system": "As-La-Ni",
"density": 7.75122435911369,
"density_atomic": 0.057467233986057256,
"volume": 87.00610161980484,
"volume_molar": 10.479259818666575,
"formula_full": "La1 Ni2 As2",
"formula_reduced": "La(NiAs)2",
"formula_anonymous": "AB2C2",
"energy": -30.00598565,
"energy_per_atom": -6.0011971299999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.00598565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003861,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.586000Z",
"spacegroup": 139
},
{
"id": "mp-36125",
"created_at": "2022-09-04T14:47:44.119804Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n-2.760139 2.760139 5.488623\n2.760139 -2.760139 5.488623\n2.760139 2.760139 -5.488623\nLi Mn Br\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.262574 0.262574 0.000000 Br\n0.737426 0.737426 0.000000 Br\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Br"
],
"chemical_system": "Br-Li-Mn",
"density": 3.8564110741051203,
"density_atomic": 0.041851664994932807,
"volume": 167.2573839260045,
"volume_molar": 14.389250130739438,
"formula_full": "Li2 Mn1 Br4",
"formula_reduced": "Li2MnBr4",
"formula_anonymous": "AB2C4",
"energy": -30.00651825,
"energy_per_atom": -4.286645464285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -27.87051825,
"band_gap": 1.62,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9997812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.641000Z",
"spacegroup": 139
},
{
"id": "mp-1183119",
"created_at": "2022-09-04T14:39:17.134192Z",
"structure_string": "Ac6 Br2\n1.0\n3.970873 -6.877754 0.000000\n3.970873 6.877754 0.000000\n0.000000 0.000000 5.857292\nAc Br\n6 2\ndirect\n0.170874 0.341747 0.250000 Ac\n0.658253 0.829126 0.250000 Ac\n0.170874 0.829126 0.250000 Ac\n0.829126 0.658253 0.750000 Ac\n0.341747 0.170874 0.750000 Ac\n0.829126 0.170874 0.750000 Ac\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"Br"
],
"chemical_system": "Ac-Br",
"density": 7.898587871097114,
"density_atomic": 0.0250052085316484,
"volume": 319.9333446819538,
"volume_molar": 24.083545443654046,
"formula_full": "Ac6 Br2",
"formula_reduced": "Ac3Br",
"formula_anonymous": "AB3",
"energy": -30.00682418,
"energy_per_atom": -3.7508530225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.93882418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.813000Z",
"spacegroup": 194
},
{
"id": "mp-1205779",
"created_at": "2022-09-04T14:39:27.233457Z",
"structure_string": "Er3 Mg3 In3\n1.0\n3.769812 -6.529507 0.000000\n3.769812 6.529507 0.000000\n0.000000 0.000000 4.612717\nEr Mg In\n3 3 3\ndirect\n0.575623 0.000000 0.000000 Er\n0.000000 0.575623 0.000000 Er\n0.424377 0.424377 0.000000 Er\n0.245508 0.000000 0.500000 Mg\n0.000000 0.245508 0.500000 Mg\n0.754492 0.754492 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mg",
"In"
],
"chemical_system": "Er-In-Mg",
"density": 6.721198293827235,
"density_atomic": 0.0396328787741647,
"volume": 227.08418561476762,
"volume_molar": 15.194810334912196,
"formula_full": "Er3 Mg3 In3",
"formula_reduced": "ErMgIn",
"formula_anonymous": "ABC",
"energy": -30.00775231,
"energy_per_atom": -3.334194701111111,
"energy_above_hull": null,
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"energy_uncorrected": -30.00775231,
"band_gap": 0.0,
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"total_magnetization": 0.002432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.591000Z",
"spacegroup": 189
},
{
"id": "mp-1008530",
"created_at": "2022-09-04T14:47:17.752101Z",
"structure_string": "Al1 V1 Fe1 Co1\n1.0\n0.000000 2.865330 2.865330\n2.865330 0.000000 2.865330\n2.865330 2.865330 0.000000\nAl V Fe Co\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Al",
"V",
"Fe",
"Co"
],
"chemical_system": "Al-Co-Fe-V",
"density": 6.801107759541363,
"density_atomic": 0.08501705464129475,
"volume": 47.04938340756288,
"volume_molar": 7.083450238788803,
"formula_full": "Al1 V1 Fe1 Co1",
"formula_reduced": "AlVFeCo",
"formula_anonymous": "ABCD",
"energy": -30.00977609,
"energy_per_atom": -7.5024440225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -30.00977609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9839994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.683000Z",
"spacegroup": 216
},
{
"id": "mp-1216782",
"created_at": "2022-09-04T14:43:08.497573Z",
"structure_string": "V2 Ga1 Fe1\n1.0\n-1.572935 -1.467763 1.467763\n-1.572935 1.467763 -1.467763\n0.000000 -5.696481 -5.696481\nV Ga Fe\n2 1 1\ndirect\n0.000000 0.000000 0.505282 V\n0.500000 0.500000 0.758256 V\n0.500000 0.500000 0.239867 Ga\n0.000000 0.000000 0.996595 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-V",
"density": 7.179655262517211,
"density_atomic": 0.07603729086984914,
"volume": 52.60576691043195,
"volume_molar": 7.919983328059288,
"formula_full": "V2 Ga1 Fe1",
"formula_reduced": "V2GaFe",
"formula_anonymous": "ABC2",
"energy": -30.01030082,
"energy_per_atom": -7.502575205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -30.01030082,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.6798082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.888000Z",
"spacegroup": 35
}
]
}