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=27",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=25",
"results": [
{
"id": "mp-1039025",
"created_at": "2022-09-04T14:42:01.903639Z",
"structure_string": "Mg1 Cd1\n1.0\n0.000000 3.323570 3.323570\n3.323570 0.000000 3.323570\n3.323570 3.323570 0.000000\nMg Cd\n1 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 3.091889430677167,
"density_atomic": 0.027238645619135676,
"volume": 73.4250897774066,
"volume_molar": 22.10881129775898,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -1.59974992,
"energy_per_atom": -0.79987496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.59974992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.955000Z",
"spacegroup": 216
},
{
"id": "mp-23289",
"created_at": "2022-09-04T14:40:39.079121Z",
"structure_string": "K1 Cl1\n1.0\n3.839196 0.000000 0.000000\n0.000000 3.839196 0.000000\n0.000000 0.000000 3.839196\nK Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Cl"
],
"chemical_system": "Cl-K",
"density": 2.1876783307485725,
"density_atomic": 0.03534346644504541,
"volume": 56.587545058992596,
"volume_molar": 17.038908080404795,
"formula_full": "K1 Cl1",
"formula_reduced": "KCl",
"formula_anonymous": "AB",
"energy": -7.320105939999999,
"energy_per_atom": -3.6600529699999993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.70610594,
"band_gap": 4.8005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00037,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.546000Z",
"spacegroup": 221
},
{
"id": "mp-1060680",
"created_at": "2022-09-04T14:39:17.488360Z",
"structure_string": "Rb1 Ge1\n1.0\n0.000000 3.593072 3.593072\n3.593072 0.000000 3.593072\n3.593072 3.593072 0.000000\nRb Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Ge"
],
"chemical_system": "Ge-Rb",
"density": 2.829923122760742,
"density_atomic": 0.02155769088069452,
"volume": 92.7743147941254,
"volume_molar": 27.934999130138678,
"formula_full": "Rb1 Ge1",
"formula_reduced": "RbGe",
"formula_anonymous": "AB",
"energy": -3.89843739,
"energy_per_atom": -1.949218695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.89843739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2357075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.225000Z",
"spacegroup": 225
},
{
"id": "mp-1239193",
"created_at": "2022-09-04T14:39:33.639591Z",
"structure_string": "Rh2\n1.0\n5.086717 0.000000 0.000000\n0.000000 2.548028 0.000000\n0.000000 0.000000 2.548028\nRh\n2\ndirect\n0.250000 0.500000 0.500000 Rh\n0.750000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 10.348364365248235,
"density_atomic": 0.06055974351694433,
"volume": 33.02523894343128,
"volume_molar": 9.944131877498842,
"formula_full": "Rh2",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -13.1436029,
"energy_per_atom": -6.57180145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.1436029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.373000Z",
"spacegroup": 221
},
{
"id": "mp-1335",
"created_at": "2022-09-04T14:40:27.942714Z",
"structure_string": "V1 Fe1\n1.0\n2.884683 0.000000 0.000000\n0.000000 2.884683 0.000000\n0.000000 0.000000 2.884683\nV Fe\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"Fe"
],
"chemical_system": "Fe-V",
"density": 7.387052140162923,
"density_atomic": 0.08331740024234101,
"volume": 24.00458960772544,
"volume_molar": 7.22795087518779,
"formula_full": "V1 Fe1",
"formula_reduced": "VFe",
"formula_anonymous": "AB",
"energy": -17.80795096,
"energy_per_atom": -8.90397548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.80795096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8168932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.200000Z",
"spacegroup": 221
},
{
"id": "mp-11564",
"created_at": "2022-09-04T14:41:56.111833Z",
"structure_string": "Tm1 Rh1\n1.0\n3.382956 0.000000 0.000000\n0.000000 3.382956 0.000000\n0.000000 0.000000 3.382956\nTm Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Rh"
],
"chemical_system": "Rh-Tm",
"density": 11.659312642798566,
"density_atomic": 0.05165839966798451,
"volume": 38.71587220770038,
"volume_molar": 11.657621604047183,
"formula_full": "Tm1 Rh1",
"formula_reduced": "TmRh",
"formula_anonymous": "AB",
"energy": -13.80185733,
"energy_per_atom": -6.900928665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.80185733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003899,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.655000Z",
"spacegroup": 221
},
{
"id": "mp-1058623",
"created_at": "2022-09-04T14:42:01.369682Z",
"structure_string": "O2\n1.0\n0.766099 -2.307710 0.000000\n0.766099 2.307710 0.000000\n0.000000 0.000000 5.701631\nO\n2\ndirect\n0.166302 0.833698 0.250000 O\n0.833698 0.166302 0.750000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.635648916454226,
"density_atomic": 0.09920527503727601,
"volume": 20.16021828726857,
"volume_molar": 6.070383613912872,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.75460832,
"energy_per_atom": -3.37730416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.75460832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.355000Z",
"spacegroup": 63
},
{
"id": "mp-1459",
"created_at": "2022-09-04T14:42:08.003192Z",
"structure_string": "Ta1 N1\n1.0\n1.477020 -2.558274 0.000000\n1.477020 2.558274 0.000000\n0.000000 0.000000 2.901479\nTa N\n1 1\ndirect\n0.333333 0.666667 0.500000 Ta\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 14.763851879979619,
"density_atomic": 0.09121098279584229,
"volume": 21.927183971656174,
"volume_molar": 6.6024294173864675,
"formula_full": "Ta1 N1",
"formula_reduced": "TaN",
"formula_anonymous": "AB",
"energy": -22.84421637,
"energy_per_atom": -11.422108185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.48321637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.638000Z",
"spacegroup": 187
},
{
"id": "mp-995181",
"created_at": "2022-09-04T14:40:28.599975Z",
"structure_string": "Sn1 Ge1\n1.0\n2.181810 -3.779006 0.000000\n2.181810 3.779006 0.000000\n0.000000 0.000000 12.586198\nSn Ge\n1 1\ndirect\n0.000000 0.000000 0.481921 Sn\n0.333333 0.666667 0.543079 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Ge"
],
"chemical_system": "Ge-Sn",
"density": 1.530941159943396,
"density_atomic": 0.00963631373257683,
"volume": 207.54824464034792,
"volume_molar": 62.494237185754535,
"formula_full": "Sn1 Ge1",
"formula_reduced": "SnGe",
"formula_anonymous": "AB",
"energy": -7.64855605,
"energy_per_atom": -3.824278025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.64855605,
"band_gap": 0.2086999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.460000Z",
"spacegroup": 156
},
{
"id": "mp-1674",
"created_at": "2022-09-04T14:39:20.675892Z",
"structure_string": "Pr1 Se1\n1.0\n0.000000 3.017326 3.017326\n3.017326 0.000000 3.017326\n3.017326 3.017326 0.000000\nPr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Se"
],
"chemical_system": "Pr-Se",
"density": 6.645286832055008,
"density_atomic": 0.03640267470638759,
"volume": 54.94101782716145,
"volume_molar": 16.543127142641783,
"formula_full": "Pr1 Se1",
"formula_reduced": "PrSe",
"formula_anonymous": "AB",
"energy": -12.42156292,
"energy_per_atom": -6.21078146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.94956292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010738,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.990000Z",
"spacegroup": 225
},
{
"id": "mp-985588",
"created_at": "2022-09-04T14:40:39.614270Z",
"structure_string": "Fe1 Cl1\n1.0\n3.102240 0.000000 0.000000\n0.000000 3.102240 0.000000\n0.000000 0.000000 3.102240\nFe Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe",
"density": 5.077900437846906,
"density_atomic": 0.0669890495137844,
"volume": 29.855625874919426,
"volume_molar": 8.989739074833146,
"formula_full": "Fe1 Cl1",
"formula_reduced": "FeCl",
"formula_anonymous": "AB",
"energy": -10.17345905,
"energy_per_atom": -5.086729525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.55945905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0147847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.624000Z",
"spacegroup": 221
},
{
"id": "mp-1428312",
"created_at": "2022-09-04T14:39:25.250695Z",
"structure_string": "Ag1 N1\n1.0\n2.874302 0.000000 0.000000\n0.000000 2.874302 0.000000\n0.000000 0.000000 2.874302\nAg N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 8.522483686675045,
"density_atomic": 0.08422340679450355,
"volume": 23.746367858044433,
"volume_molar": 7.150198488994165,
"formula_full": "Ag1 N1",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -7.86533415,
"energy_per_atom": -3.932667075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.50433415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.241000Z",
"spacegroup": 221
}
]
}