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=-nsites&page=12163",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12161",
"results": [
{
"id": "mp-1220316",
"created_at": "2022-09-04T14:42:55.686047Z",
"structure_string": "Nb1 W1\n1.0\n1.623335 -2.294311 0.000000\n1.623335 2.294311 0.000000\n0.000000 0.000000 4.593246\nNb W\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"W"
],
"chemical_system": "Nb-W",
"density": 13.431388320259298,
"density_atomic": 0.058454756369188156,
"volume": 34.21449552143223,
"volume_molar": 10.302225403122723,
"formula_full": "Nb1 W1",
"formula_reduced": "NbW",
"formula_anonymous": "AB",
"energy": -23.14246864,
"energy_per_atom": -11.57123432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.14246864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.715000Z",
"spacegroup": 65
},
{
"id": "mp-1094974",
"created_at": "2022-09-04T14:42:58.463862Z",
"structure_string": "Mg1 Zr1\n1.0\n3.156415 0.000000 0.000000\n0.000000 3.156415 0.000000\n0.000000 0.000000 4.460166\nMg Zr\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zr"
],
"chemical_system": "Mg-Zr",
"density": 4.3171873092633275,
"density_atomic": 0.04500810995101491,
"volume": 44.43643605956177,
"volume_molar": 13.380123641171036,
"formula_full": "Mg1 Zr1",
"formula_reduced": "MgZr",
"formula_anonymous": "AB",
"energy": -9.99492193,
"energy_per_atom": -4.997460965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.99492193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.912000Z",
"spacegroup": 123
},
{
"id": "mp-1096851",
"created_at": "2022-09-04T14:42:53.607398Z",
"structure_string": "Bi2\n1.0\n3.174595 0.000000 0.000000\n0.000000 3.464599 0.000000\n0.000000 0.000000 6.466649\nBi\n2\ndirect\n0.102802 0.000000 0.250000 Bi\n0.897198 0.000000 0.750000 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.75807286887985,
"density_atomic": 0.02811961714258334,
"volume": 71.12472370654264,
"volume_molar": 21.416154883845433,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -7.58197212,
"energy_per_atom": -3.79098606,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.58197212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.504000Z",
"spacegroup": 51
},
{
"id": "mp-2802",
"created_at": "2022-09-04T14:42:57.307616Z",
"structure_string": "Hf1 Ru1\n1.0\n3.244216 0.000000 0.000000\n0.000000 3.244216 0.000000\n0.000000 0.000000 3.244216\nHf Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ru"
],
"chemical_system": "Hf-Ru",
"density": 13.595489341688483,
"density_atomic": 0.0585734372192171,
"volume": 34.145170489394275,
"volume_molar": 10.281351148066522,
"formula_full": "Hf1 Ru1",
"formula_reduced": "HfRu",
"formula_anonymous": "AB",
"energy": -20.88034947,
"energy_per_atom": -10.440174735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.88034947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.61e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.930000Z",
"spacegroup": 221
},
{
"id": "mp-21215",
"created_at": "2022-09-04T14:42:57.308583Z",
"structure_string": "In1 Pd1\n1.0\n3.309616 0.000000 0.000000\n0.000000 3.309616 0.000000\n0.000000 0.000000 3.309616\nIn Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Pd"
],
"chemical_system": "In-Pd",
"density": 10.133885637642187,
"density_atomic": 0.05516926185981926,
"volume": 36.25207103698146,
"volume_molar": 10.915753731311076,
"formula_full": "In1 Pd1",
"formula_reduced": "InPd",
"formula_anonymous": "AB",
"energy": -8.92246151,
"energy_per_atom": -4.461230755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.92246151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.623000Z",
"spacegroup": 221
},
{
"id": "mp-1132",
"created_at": "2022-09-04T14:42:57.584763Z",
"structure_string": "Cd1 O1\n1.0\n0.000000 2.391850 2.391850\n2.391850 0.000000 2.391850\n2.391850 2.391850 0.000000\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 7.791435499806187,
"density_atomic": 0.07307993950413479,
"volume": 27.367291401313242,
"volume_molar": 8.2404840519323,
"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy": -8.60027389,
"energy_per_atom": -4.300136945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.91327389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:02.413000Z",
"spacegroup": 225
},
{
"id": "mp-1094336",
"created_at": "2022-09-04T14:44:16.222527Z",
"structure_string": "Sr1 Mg1\n1.0\n0.000000 3.924116 3.924116\n3.924116 0.000000 3.924116\n3.924116 3.924116 0.000000\nSr Mg\n1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.537873784960668,
"density_atomic": 0.016549104145360944,
"volume": 120.8524632169072,
"volume_molar": 36.38952723424688,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -1.900486,
"energy_per_atom": -0.950243,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.900486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2148265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.928000Z",
"spacegroup": 216
},
{
"id": "mp-2724",
"created_at": "2022-09-04T14:44:11.451969Z",
"structure_string": "Tb1 Sb1\n1.0\n0.000000 3.114590 3.114590\n3.114590 0.000000 3.114590\n3.114590 3.114590 0.000000\nTb Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Sb"
],
"chemical_system": "Sb-Tb",
"density": 7.71322842344794,
"density_atomic": 0.03309766419664478,
"volume": 60.42722495815117,
"volume_molar": 18.195062721708574,
"formula_full": "Tb1 Sb1",
"formula_reduced": "TbSb",
"formula_anonymous": "AB",
"energy": -11.2367957,
"energy_per_atom": -5.61839785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.0447957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007771,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.813000Z",
"spacegroup": 225
},
{
"id": "mp-1217337",
"created_at": "2022-09-04T14:44:12.128983Z",
"structure_string": "Tc1 W1\n1.0\n1.556058 -2.259437 0.000000\n1.556058 2.259437 0.000000\n0.000000 0.000000 4.415078\nTc W\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"W"
],
"chemical_system": "Tc-W",
"density": 15.075000469619319,
"density_atomic": 0.06442220750531263,
"volume": 31.045195087968203,
"volume_molar": 9.347926737070255,
"formula_full": "Tc1 W1",
"formula_reduced": "TcW",
"formula_anonymous": "AB",
"energy": -23.1074703,
"energy_per_atom": -11.55373515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.1074703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.715000Z",
"spacegroup": 65
},
{
"id": "mp-1184069",
"created_at": "2022-09-04T14:44:04.589004Z",
"structure_string": "Cu1 Ni1\n1.0\n1.249967 -2.165006 0.000000\n1.249967 2.165006 0.000000\n0.000000 0.000000 4.143761\nCu Ni\n1 1\ndirect\n0.333333 0.666667 0.500000 Cu\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni",
"density": 9.050612289389317,
"density_atomic": 0.08917593049331682,
"volume": 22.427576465264778,
"volume_molar": 6.753101118974387,
"formula_full": "Cu1 Ni1",
"formula_reduced": "CuNi",
"formula_anonymous": "AB",
"energy": -9.82079214,
"energy_per_atom": -4.91039607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.82079214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1095001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.675000Z",
"spacegroup": 187
},
{
"id": "mp-11573",
"created_at": "2022-09-04T14:44:14.247434Z",
"structure_string": "Ti1 Tc1\n1.0\n3.106861 0.000000 0.000000\n0.000000 3.106861 0.000000\n0.000000 0.000000 3.106861\nTi Tc\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Tc"
],
"chemical_system": "Tc-Ti",
"density": 8.076825091014111,
"density_atomic": 0.06669058472278946,
"volume": 29.989240734855354,
"volume_molar": 9.02997144954124,
"formula_full": "Ti1 Tc1",
"formula_reduced": "TiTc",
"formula_anonymous": "AB",
"energy": -19.24926416,
"energy_per_atom": -9.62463208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.24926416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.098000Z",
"spacegroup": 221
},
{
"id": "mp-1217812",
"created_at": "2022-09-04T14:44:15.380682Z",
"structure_string": "Ta1 V1\n1.0\n1.606700 -2.307775 0.000000\n1.606700 2.307775 0.000000\n0.000000 0.000000 4.341361\nTa V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"V"
],
"chemical_system": "Ta-V",
"density": 11.96040270853948,
"density_atomic": 0.062122058959320235,
"volume": 32.19468307239578,
"volume_molar": 9.694045659277833,
"formula_full": "Ta1 V1",
"formula_reduced": "TaV",
"formula_anonymous": "AB",
"energy": -20.77116494,
"energy_per_atom": -10.38558247,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.77116494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4025704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.232000Z",
"spacegroup": 65
}
]
}