HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11487",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11485",
"results": [
{
"id": "mp-982930",
"created_at": "2022-09-04T14:41:52.880991Z",
"structure_string": "Hf1 Tl3\n1.0\n-2.222356 2.222356 5.056244\n2.222356 -2.222356 5.056244\n2.222356 2.222356 -5.056244\nHf Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Tl"
],
"chemical_system": "Hf-Tl",
"density": 13.160169952865427,
"density_atomic": 0.040044669759099365,
"volume": 99.88845017484702,
"volume_molar": 15.038557681279384,
"formula_full": "Hf1 Tl3",
"formula_reduced": "HfTl3",
"formula_anonymous": "AB3",
"energy": -16.0252646,
"energy_per_atom": -4.00631615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0252646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.848000Z",
"spacegroup": 139
},
{
"id": "mp-1183441",
"created_at": "2022-09-04T14:41:02.659251Z",
"structure_string": "Be2 Te2\n1.0\n1.998319 -3.461189 0.000000\n1.998319 3.461189 0.000000\n0.000000 0.000000 6.586771\nBe Te\n2 2\ndirect\n0.000000 0.000000 0.000433 Be\n0.333334 0.666670 0.500431 Be\n0.000000 0.000000 0.374568 Te\n0.333334 0.666670 0.874569 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"Te"
],
"chemical_system": "Be-Te",
"density": 4.979386394106737,
"density_atomic": 0.043900280831620606,
"volume": 91.11559024740612,
"volume_molar": 13.717772747509072,
"formula_full": "Be2 Te2",
"formula_reduced": "BeTe",
"formula_anonymous": "AB",
"energy": -16.02360709,
"energy_per_atom": -4.0059017725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.17960709,
"band_gap": 2.2711999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.382000Z",
"spacegroup": 186
},
{
"id": "mp-1008987",
"created_at": "2022-09-04T14:45:39.769220Z",
"structure_string": "Ir1 N1\n1.0\n0.000000 2.322966 2.322966\n2.322966 0.000000 2.322966\n2.322966 2.322966 0.000000\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 13.659321162582431,
"density_atomic": 0.07977584996830624,
"volume": 25.070243698996254,
"volume_molar": 7.548826822142925,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -16.02242393,
"energy_per_atom": -8.011211965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.66142393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003683,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.884000Z",
"spacegroup": 216
},
{
"id": "mp-1094695",
"created_at": "2022-09-04T14:42:06.893444Z",
"structure_string": "Y2 Mg2\n1.0\n3.764127 0.000000 0.000000\n0.000000 5.503159 0.000000\n0.000000 0.000000 5.537999\nY Mg\n2 2\ndirect\n0.500000 0.000000 0.587920 Y\n0.000000 0.500000 0.412080 Y\n0.000000 0.000000 0.083229 Mg\n0.500000 0.500000 0.916771 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.277464094135288,
"density_atomic": 0.03486830125831474,
"volume": 114.71737525630546,
"volume_molar": 17.271104535280315,
"formula_full": "Y2 Mg2",
"formula_reduced": "YMg",
"formula_anonymous": "AB",
"energy": -16.0223026,
"energy_per_atom": -4.00557565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0223026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1798001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.898000Z",
"spacegroup": 59
},
{
"id": "mp-1064703",
"created_at": "2022-09-04T14:43:52.865507Z",
"structure_string": "Sr2 U1 Ni1\n1.0\n0.000000 3.981669 3.981669\n3.981669 0.000000 3.981669\n3.981669 3.981669 0.000000\nSr U Ni\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"U",
"Ni"
],
"chemical_system": "Ni-Sr-U",
"density": 6.207703397804226,
"density_atomic": 0.03168360089671256,
"volume": 126.2482762940949,
"volume_molar": 19.007122263760266,
"formula_full": "Sr2 U1 Ni1",
"formula_reduced": "Sr2UNi",
"formula_anonymous": "ABC2",
"energy": -16.0218213,
"energy_per_atom": -4.005455325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.0218213,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.418317,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.549000Z",
"spacegroup": 225
},
{
"id": "mp-1187023",
"created_at": "2022-09-04T14:40:09.303500Z",
"structure_string": "Sn3 Ge1\n1.0\n4.685681 0.000000 0.000000\n0.000000 4.685681 0.000000\n0.000000 0.000000 4.685681\nSn Ge\n3 1\ndirect\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"Ge"
],
"chemical_system": "Ge-Sn",
"density": 6.920784603682166,
"density_atomic": 0.03888139475002246,
"volume": 102.87696791015166,
"volume_molar": 15.488489542923409,
"formula_full": "Sn3 Ge1",
"formula_reduced": "Sn3Ge",
"formula_anonymous": "AB3",
"energy": -16.02165101,
"energy_per_atom": -4.0054127525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.02165101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.274000Z",
"spacegroup": 221
},
{
"id": "mp-1039186",
"created_at": "2022-09-04T14:44:28.306519Z",
"structure_string": "Mg6 Cd6\n1.0\n4.974291 0.000000 0.000000\n0.000000 9.640728 0.000000\n0.000000 0.000000 5.473542\nMg Cd\n6 6\ndirect\n-0.000000 0.169312 0.160908 Mg\n0.000000 0.330688 0.660908 Mg\n0.500000 0.500000 0.842844 Mg\n-0.000000 0.669312 0.660908 Mg\n0.000000 0.830688 0.160908 Mg\n0.500000 0.000000 0.342844 Mg\n0.000000 0.500000 0.158689 Cd\n0.500000 0.332833 0.338326 Cd\n0.500000 0.167167 0.838326 Cd\n0.000000 0.000000 0.658689 Cd\n0.500000 0.832833 0.838326 Cd\n0.500000 0.667167 0.338326 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.189317201386956,
"density_atomic": 0.04571637357125884,
"volume": 262.48801168131604,
"volume_molar": 13.17283128464508,
"formula_full": "Mg6 Cd6",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -16.02158789,
"energy_per_atom": -1.3351323241666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.02158789,
"band_gap": 1.0967000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.979000Z",
"spacegroup": 38
},
{
"id": "mp-1023918",
"created_at": "2022-09-04T14:39:11.084902Z",
"structure_string": "Al2 Sb2\n1.0\n2.844294 -3.242469 0.000000\n2.844294 3.242469 0.000000\n0.000000 0.000000 5.218031\nAl Sb\n2 2\ndirect\n0.625944 0.374056 0.750000 Al\n0.374056 0.625944 0.250000 Al\n0.195299 0.804701 0.750000 Sb\n0.804701 0.195299 0.250000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Sb"
],
"chemical_system": "Al-Sb",
"density": 5.13244606627408,
"density_atomic": 0.04155975923848894,
"volume": 96.24694832917986,
"volume_molar": 14.490316763969199,
"formula_full": "Al2 Sb2",
"formula_reduced": "AlSb",
"formula_anonymous": "AB",
"energy": -16.01996699,
"energy_per_atom": -4.0049917475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63596699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.674000Z",
"spacegroup": 63
},
{
"id": "mp-1069922",
"created_at": "2022-09-04T14:43:17.184184Z",
"structure_string": "Mg1 Br2 O2\n1.0\n4.394797 3.907991 0.000000\n-4.394797 3.907991 0.000000\n0.000000 0.427198 3.796759\nMg Br O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.237712 0.237712 0.443597 Br\n0.762288 0.762288 0.556403 Br\n0.771789 0.228211 0.000000 O\n0.228211 0.771789 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Br",
"O"
],
"chemical_system": "Br-Mg-O",
"density": 2.7516435669978345,
"density_atomic": 0.03833845465063907,
"volume": 130.41735890407503,
"volume_molar": 15.707833857355586,
"formula_full": "Mg1 Br2 O2",
"formula_reduced": "Mg(BrO)2",
"formula_anonymous": "AB2C2",
"energy": -16.01890017,
"energy_per_atom": -3.2037800339999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.64490017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0057767,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.810000Z",
"spacegroup": 12
},
{
"id": "mp-1100762",
"created_at": "2022-09-04T14:39:43.036295Z",
"structure_string": "Pm2 Tl1 Ag1\n1.0\n0.000000 3.825064 3.825064\n3.825064 0.000000 3.825064\n3.825064 3.825064 0.000000\nPm Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Tl",
"Ag"
],
"chemical_system": "Ag-Pm-Tl",
"density": 8.934718498810748,
"density_atomic": 0.03573665318851574,
"volume": 111.9298995040037,
"volume_molar": 16.85144025164411,
"formula_full": "Pm2 Tl1 Ag1",
"formula_reduced": "Pm2TlAg",
"formula_anonymous": "ABC2",
"energy": -16.01775877,
"energy_per_atom": -4.0044396925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.01775877,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1341835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.603000Z",
"spacegroup": 225
},
{
"id": "mp-981368",
"created_at": "2022-09-04T14:46:18.775873Z",
"structure_string": "Zn2 Pd1 Pt1\n1.0\n0.000000 3.078596 3.078596\n3.078596 0.000000 3.078596\n3.078596 3.078596 0.000000\nZn Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Zn",
"density": 12.301790762995255,
"density_atomic": 0.06854438645308522,
"volume": 58.35634698893651,
"volume_molar": 8.785753395169444,
"formula_full": "Zn2 Pd1 Pt1",
"formula_reduced": "Zn2PdPt",
"formula_anonymous": "ABC2",
"energy": -16.01717614,
"energy_per_atom": -4.004294035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.01717614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.646000Z",
"spacegroup": 225
},
{
"id": "mp-9200",
"created_at": "2022-09-04T14:40:53.565637Z",
"structure_string": "K3 Au1 O1\n1.0\n5.318752 0.000000 0.000000\n0.000000 5.318752 0.000000\n0.000000 0.000000 5.318752\nK Au O\n3 1 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Au",
"O"
],
"chemical_system": "Au-K-O",
"density": 3.64482762945894,
"density_atomic": 0.0332307988902618,
"volume": 150.46282867022006,
"volume_molar": 18.122166667996577,
"formula_full": "K3 Au1 O1",
"formula_reduced": "K3AuO",
"formula_anonymous": "ABC3",
"energy": -16.01455064,
"energy_per_atom": -3.202910128,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.32755064,
"band_gap": 0.5612,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.601000Z",
"spacegroup": 221
}
]
}