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=104",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=102",
"results": [
{
"id": "mp-1009015",
"created_at": "2022-09-04T14:41:01.032089Z",
"structure_string": "Ir1 N1\n1.0\n1.405057 -2.433630 0.000000\n1.405057 2.433630 0.000000\n0.000000 0.000000 3.173385\nIr N\n1 1\ndirect\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 15.779252231710036,
"density_atomic": 0.09215708772535895,
"volume": 21.702074678838382,
"volume_molar": 6.534647424999826,
"formula_full": "Ir1 N1",
"formula_reduced": "IrN",
"formula_anonymous": "AB",
"energy": -14.48183719,
"energy_per_atom": -7.240918595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.12083719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.715000Z",
"spacegroup": 187
},
{
"id": "mp-1096",
"created_at": "2022-09-04T14:41:01.368546Z",
"structure_string": "Ce1 S1\n1.0\n0.000000 2.841290 2.841290\n2.841290 0.000000 2.841290\n2.841290 2.841290 0.000000\nCe S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 6.232433296978239,
"density_atomic": 0.04359666932435553,
"volume": 45.875064104557374,
"volume_molar": 13.813304670583392,
"formula_full": "Ce1 S1",
"formula_reduced": "CeS",
"formula_anonymous": "AB",
"energy": -14.66408828,
"energy_per_atom": -7.33204414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.16108828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1440823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.266000Z",
"spacegroup": 225
},
{
"id": "mp-22913",
"created_at": "2022-09-04T14:39:05.459960Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.849508 2.849508\n2.849508 0.000000 2.849508\n2.849508 2.849508 0.000000\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 5.147661876586553,
"density_atomic": 0.04322055687194547,
"volume": 46.274276519056215,
"volume_molar": 13.93351033824597,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -6.771377429999999,
"energy_per_atom": -3.3856887149999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23737743,
"band_gap": 0.4870999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.084000Z",
"spacegroup": 216
},
{
"id": "mp-343",
"created_at": "2022-09-04T14:41:04.478189Z",
"structure_string": "Pr1 N1\n1.0\n0.000000 2.610562 2.610562\n2.610562 0.000000 2.610562\n2.610562 2.610562 0.000000\nPr N\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"N"
],
"chemical_system": "N-Pr",
"density": 7.229507537404175,
"density_atomic": 0.05620797819023791,
"volume": 35.582137347672045,
"volume_molar": 10.714031982466706,
"formula_full": "Pr1 N1",
"formula_reduced": "PrN",
"formula_anonymous": "AB",
"energy": -16.0451585,
"energy_per_atom": -8.02257925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.6841585,
"band_gap": 0.3471999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001199,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.297000Z",
"spacegroup": 225
},
{
"id": "mp-1526",
"created_at": "2022-09-04T14:41:04.315791Z",
"structure_string": "Ti1 Hg1\n1.0\n3.045089 0.000000 0.000000\n0.000000 3.045089 0.000000\n0.000000 0.000000 4.102296\nTi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Hg"
],
"chemical_system": "Hg-Ti",
"density": 10.84609390029329,
"density_atomic": 0.052577873987302154,
"volume": 38.03881458734925,
"volume_molar": 11.453754789427924,
"formula_full": "Ti1 Hg1",
"formula_reduced": "TiHg",
"formula_anonymous": "AB",
"energy": -8.21765138,
"energy_per_atom": -4.10882569,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.21765138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8832801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.228000Z",
"spacegroup": 123
},
{
"id": "mp-506",
"created_at": "2022-09-04T14:41:04.912148Z",
"structure_string": "Mg1 Pd1\n1.0\n3.189009 0.000000 0.000000\n0.000000 3.189009 0.000000\n0.000000 0.000000 3.189009\nMg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 6.693303426320804,
"density_atomic": 0.06166841139280744,
"volume": 32.43151485224193,
"volume_molar": 9.765357375011575,
"formula_full": "Mg1 Pd1",
"formula_reduced": "MgPd",
"formula_anonymous": "AB",
"energy": -8.26381293,
"energy_per_atom": -4.131906465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.26381293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.874000Z",
"spacegroup": 221
},
{
"id": "mp-1541",
"created_at": "2022-09-04T14:41:05.054539Z",
"structure_string": "Be1 Se1\n1.0\n0.000000 2.591880 2.591880\n2.591880 0.000000 2.591880\n2.591880 2.591880 0.000000\nBe Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Se"
],
"chemical_system": "Be-Se",
"density": 4.194882439247549,
"density_atomic": 0.057432183572600166,
"volume": 34.82368030586535,
"volume_molar": 10.48565522915805,
"formula_full": "Be1 Se1",
"formula_reduced": "BeSe",
"formula_anonymous": "AB",
"energy": -9.29410007,
"energy_per_atom": -4.647050035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.82210007,
"band_gap": 2.6636999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.254000Z",
"spacegroup": 216
},
{
"id": "mp-80",
"created_at": "2022-09-04T14:41:13.284675Z",
"structure_string": "Sb2\n1.0\n1.697055 -2.939385 0.000000\n1.697055 2.939385 0.000000\n0.000000 0.000000 5.494676\nSb\n2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.376651339480906,
"density_atomic": 0.03648425814647526,
"volume": 54.81816272570201,
"volume_molar": 16.506134606938136,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -7.67733684,
"energy_per_atom": -3.83866842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67733684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.07e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.119000Z",
"spacegroup": 194
},
{
"id": "mp-1187029",
"created_at": "2022-09-04T14:42:44.841401Z",
"structure_string": "Sm1 Zr1\n1.0\n1.701087 -2.946369 0.000000\n1.701087 2.946369 0.000000\n0.000000 0.000000 5.535214\nSm Zr\n1 1\ndirect\n0.333333 0.666667 0.500000 Sm\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Zr"
],
"chemical_system": "Sm-Zr",
"density": 7.2300148851634995,
"density_atomic": 0.03604557201668685,
"volume": 55.485317283191534,
"volume_molar": 16.70701953963201,
"formula_full": "Sm1 Zr1",
"formula_reduced": "SmZr",
"formula_anonymous": "AB",
"energy": -12.91683488,
"energy_per_atom": -6.45841744,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.91683488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.088000Z",
"spacegroup": 187
},
{
"id": "mp-131",
"created_at": "2022-09-04T14:44:05.213818Z",
"structure_string": "Zr2\n1.0\n1.619616 -2.805257 0.000000\n1.619616 2.805257 0.000000\n0.000000 0.000000 5.172220\nZr\n2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.44609209980321,
"density_atomic": 0.04255379504335922,
"volume": 46.999333384064705,
"volume_molar": 14.151830063250241,
"formula_full": "Zr2",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -17.09540126,
"energy_per_atom": -8.54770063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.09540126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.756000Z",
"spacegroup": 194
},
{
"id": "mp-1186915",
"created_at": "2022-09-04T14:46:03.584742Z",
"structure_string": "Re1 Tc1\n1.0\n1.384644 -2.398274 0.000000\n1.384644 2.398274 0.000000\n0.000000 0.000000 4.464644\nRe Tc\n1 1\ndirect\n0.333333 0.666667 0.500000 Re\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"Tc"
],
"chemical_system": "Re-Tc",
"density": 15.915859980997434,
"density_atomic": 0.06744911220000939,
"volume": 29.651984062730506,
"volume_molar": 8.928421091951988,
"formula_full": "Re1 Tc1",
"formula_reduced": "ReTc",
"formula_anonymous": "AB",
"energy": -22.81212815,
"energy_per_atom": -11.406064075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.81212815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.749000Z",
"spacegroup": 187
},
{
"id": "mp-1010071",
"created_at": "2022-09-04T14:41:14.104717Z",
"structure_string": "Cr1 Co1\n1.0\n2.851205 0.000000 0.000000\n0.000000 2.851205 0.000000\n0.000000 0.000000 2.851205\nCr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Co"
],
"chemical_system": "Co-Cr",
"density": 7.947124531735106,
"density_atomic": 0.08628685972248691,
"volume": 23.178500254063447,
"volume_molar": 6.979209556783292,
"formula_full": "Cr1 Co1",
"formula_reduced": "CrCo",
"formula_anonymous": "AB",
"energy": -16.45424306,
"energy_per_atom": -8.22712153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.45424306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9596937,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.443000Z",
"spacegroup": 221
}
]
}