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=formula_anonymous&page=10241",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10239",
"results": [
{
"id": "mp-547864",
"created_at": "2022-09-04T14:44:53.490005Z",
"structure_string": "Cd1 C1 O3\n1.0\n2.840295 -3.017488 0.000000\n2.840295 3.017488 0.000000\n-0.365440 0.000000 4.127828\nCd C O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 C\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cd",
"C",
"O"
],
"chemical_system": "C-Cd-O",
"density": 4.046466013647906,
"density_atomic": 0.07066582199376338,
"volume": 70.7555627166026,
"volume_molar": 8.521999164647777,
"formula_full": "Cd1 C1 O3",
"formula_reduced": "CdCO3",
"formula_anonymous": "ABC3",
"energy": -17.64317523,
"energy_per_atom": -3.528635046,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.58217523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064671,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.765000Z",
"spacegroup": 166
},
{
"id": "mp-22542",
"created_at": "2022-09-04T14:44:52.500684Z",
"structure_string": "Tm3 Pb1 C1\n1.0\n4.836661 0.000000 0.000000\n0.000000 4.836661 0.000000\n0.000000 0.000000 4.836661\nTm Pb C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Pb",
"C"
],
"chemical_system": "C-Pb-Tm",
"density": 10.655080751253381,
"density_atomic": 0.0441909214775636,
"volume": 113.1454116099067,
"volume_molar": 13.627551901259928,
"formula_full": "Tm3 Pb1 C1",
"formula_reduced": "Tm3PbC",
"formula_anonymous": "ABC3",
"energy": -29.18128003,
"energy_per_atom": -5.836256006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.18128003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018088,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.312000Z",
"spacegroup": 221
},
{
"id": "mp-998150",
"created_at": "2022-09-04T14:44:58.266849Z",
"structure_string": "Ca1 Tl1 F3\n1.0\n3.189125 -3.194173 0.000000\n3.189125 3.194173 0.000000\n0.000000 0.000000 4.511570\nCa Tl F\n1 1 3\ndirect\n0.504701 0.495299 0.000000 Ca\n0.010558 0.989442 0.500000 Tl\n0.501955 0.995757 0.000000 F\n0.491385 0.508615 0.500000 F\n0.004243 0.498045 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"F"
],
"chemical_system": "Ca-F-Tl",
"density": 5.446106021762052,
"density_atomic": 0.05439792478156643,
"volume": 91.91527103427899,
"volume_molar": 11.070534003239578,
"formula_full": "Ca1 Tl1 F3",
"formula_reduced": "CaTlF3",
"formula_anonymous": "ABC3",
"energy": -26.61833305,
"energy_per_atom": -5.32366661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.23233305,
"band_gap": 4.4564,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.116000Z",
"spacegroup": 38
},
{
"id": "mp-971996",
"created_at": "2022-09-04T14:44:44.821171Z",
"structure_string": "Sr1 Ho1 O3\n1.0\n4.355383 0.000000 0.000000\n0.000000 4.355383 0.000000\n0.000000 0.000000 4.355383\nSr Ho O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ho\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": [
"Sr",
"Ho",
"O"
],
"chemical_system": "Ho-O-Sr",
"density": 6.040663396361041,
"density_atomic": 0.060518889378056544,
"volume": 82.61883275427296,
"volume_molar": 9.950844805462605,
"formula_full": "Sr1 Ho1 O3",
"formula_reduced": "SrHoO3",
"formula_anonymous": "ABC3",
"energy": -36.40411844,
"energy_per_atom": -7.280823688,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.34311844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.211000Z",
"spacegroup": 221
},
{
"id": "mp-23738",
"created_at": "2022-09-04T14:44:57.262654Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.964353 -5.134410 0.000000\n2.964353 5.134410 0.000000\n0.000000 0.000000 14.372808\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.404817 Rb\n0.666667 0.333333 0.904817 Rb\n0.666667 0.333333 0.595183 Rb\n0.333333 0.666667 0.095183 Rb\n0.333333 0.666667 0.845799 Mg\n0.666667 0.333333 0.345799 Mg\n0.666667 0.333333 0.154201 Mg\n0.333333 0.666667 0.654201 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.476297 0.952595 0.750000 H\n0.523703 0.476297 0.250000 H\n0.952595 0.476297 0.250000 H\n0.047405 0.523703 0.750000 H\n0.476297 0.523703 0.750000 H\n0.523703 0.047405 0.250000 H\n0.165848 0.834152 0.920142 H\n0.165848 0.331697 0.920142 H\n0.668303 0.834152 0.920142 H\n0.331697 0.165848 0.420142 H\n0.834152 0.668303 0.079858 H\n0.834152 0.165848 0.420142 H\n0.165848 0.331697 0.579858 H\n0.834152 0.165848 0.079858 H\n0.331697 0.165848 0.079858 H\n0.668303 0.834152 0.579858 H\n0.165848 0.834152 0.579858 H\n0.834152 0.668303 0.420142 H\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"H"
],
"chemical_system": "H-Mg-Rb",
"density": 2.568646555366567,
"density_atomic": 0.06856921388447751,
"volume": 437.51413062052484,
"volume_molar": 8.782572263619423,
"formula_full": "Rb6 Mg6 H18",
"formula_reduced": "RbMgH3",
"formula_anonymous": "ABC3",
"energy": -86.54697512,
"energy_per_atom": -2.8848991706666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.32497512,
"band_gap": 2.5619,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021104,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.008000Z",
"spacegroup": 194
},
{
"id": "mp-22230",
"created_at": "2022-09-04T14:44:52.139022Z",
"structure_string": "Ba2 Pb2 O6\n1.0\n-3.066931 3.108274 4.339039\n3.066931 -3.108274 4.339039\n3.066931 3.108274 -4.339039\nBa Pb O\n2 2 6\ndirect\n0.756689 0.750000 0.006689 Ba\n0.243311 0.250000 0.993311 Ba\n0.500000 0.000000 0.500000 Pb\n0.000000 0.500000 0.500000 Pb\n0.209855 0.709855 0.000000 O\n0.320667 0.750000 0.570667 O\n0.679333 0.250000 0.429333 O\n0.209855 0.209855 0.500000 O\n0.790145 0.290145 0.000000 O\n0.790145 0.790145 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Pb",
"O"
],
"chemical_system": "Ba-O-Pb",
"density": 7.878976238337828,
"density_atomic": 0.06043981885540448,
"volume": 165.45383803885784,
"volume_molar": 9.963863019522442,
"formula_full": "Ba2 Pb2 O6",
"formula_reduced": "BaPbO3",
"formula_anonymous": "ABC3",
"energy": -62.03951158000001,
"energy_per_atom": -6.203951158000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.91751158,
"band_gap": 0.1992999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.161000Z",
"spacegroup": 74
},
{
"id": "mp-20501",
"created_at": "2022-09-04T14:44:58.470912Z",
"structure_string": "Gd3 In1 C1\n1.0\n5.660396 0.000000 0.000000\n0.000000 5.660396 0.000000\n0.000000 0.000000 5.660396\nGd In C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"In",
"C"
],
"chemical_system": "C-Gd-In",
"density": 5.480622761049163,
"density_atomic": 0.027569542426838567,
"volume": 181.35955695559784,
"volume_molar": 21.843455603156944,
"formula_full": "Gd3 In1 C1",
"formula_reduced": "Gd3InC",
"formula_anonymous": "ABC3",
"energy": -46.49099003,
"energy_per_atom": -9.298198006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.49099003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.1906251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.942000Z",
"spacegroup": 221
},
{
"id": "mp-22351",
"created_at": "2022-09-04T14:44:58.142748Z",
"structure_string": "Nb1 Ru3 C1\n1.0\n4.065138 0.000000 0.000000\n0.000000 4.065138 0.000000\n0.000000 0.000000 4.065138\nNb Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nb",
"Ru",
"C"
],
"chemical_system": "C-Nb-Ru",
"density": 10.088314892872884,
"density_atomic": 0.07442933257097258,
"volume": 67.17781588639421,
"volume_molar": 8.091085264344601,
"formula_full": "Nb1 Ru3 C1",
"formula_reduced": "NbRu3C",
"formula_anonymous": "ABC3",
"energy": -47.30077881,
"energy_per_atom": -9.460155762,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.30077881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0110109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.141000Z",
"spacegroup": 221
},
{
"id": "mp-1016872",
"created_at": "2022-09-04T14:45:05.404394Z",
"structure_string": "Ca1 Ir1 O3\n1.0\n3.953475 0.000000 0.000000\n0.000000 3.953475 0.000000\n0.000000 0.000000 3.953475\nCa Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ir\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": [
"Ca",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-O",
"density": 7.532249004003523,
"density_atomic": 0.08091574065506148,
"volume": 61.792674200619054,
"volume_molar": 7.442483639458968,
"formula_full": "Ca1 Ir1 O3",
"formula_reduced": "CaIrO3",
"formula_anonymous": "ABC3",
"energy": -34.66490049,
"energy_per_atom": -6.932980098,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.60390049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2740433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.297000Z",
"spacegroup": 221
},
{
"id": "mp-505492",
"created_at": "2022-09-04T14:44:57.024065Z",
"structure_string": "Cs3 Ni3 F9\n1.0\n7.747716 -3.113523 0.000000\n7.747716 3.113523 0.000000\n6.496506 0.000000 5.245622\nCs Ni F\n3 3 9\ndirect\n0.000000 0.000000 0.000000 Cs\n0.214603 0.214603 0.214603 Cs\n0.785397 0.785397 0.785397 Cs\n0.500000 0.500000 0.500000 Ni\n0.379466 0.379466 0.379466 Ni\n0.620534 0.620534 0.620534 Ni\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n0.275736 0.701072 0.701072 F\n0.701072 0.701072 0.275736 F\n0.701072 0.275736 0.701072 F\n0.298928 0.724264 0.298928 F\n0.724264 0.298928 0.298928 F\n0.298928 0.298928 0.724264 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Cs",
"Ni",
"F"
],
"chemical_system": "Cs-F-Ni",
"density": 4.893373245908569,
"density_atomic": 0.059270487618352075,
"volume": 253.07704732558184,
"volume_molar": 10.16043734746557,
"formula_full": "Cs3 Ni3 F9",
"formula_reduced": "CsNiF3",
"formula_anonymous": "ABC3",
"energy": -76.25162261,
"energy_per_atom": -5.083441507333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.47062261,
"band_gap": 4.7178,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0034086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.272000Z",
"spacegroup": 166
},
{
"id": "mp-22147",
"created_at": "2022-09-04T14:45:06.153859Z",
"structure_string": "Hf4 Pb4 S12\n1.0\n3.774474 0.000000 0.000000\n0.000000 9.262543 0.000000\n0.000000 0.000000 14.197549\nHf Pb S\n4 4 12\ndirect\n0.250000 0.162567 0.951745 Hf\n0.750000 0.837433 0.048255 Hf\n0.250000 0.662567 0.548255 Hf\n0.750000 0.337433 0.451745 Hf\n0.250000 0.530329 0.171245 Pb\n0.750000 0.469671 0.828755 Pb\n0.250000 0.030329 0.328755 Pb\n0.750000 0.969671 0.671245 Pb\n0.250000 0.010404 0.103386 S\n0.750000 0.989596 0.896614 S\n0.250000 0.510404 0.396614 S\n0.750000 0.489596 0.603386 S\n0.250000 0.174337 0.509441 S\n0.750000 0.825663 0.490559 S\n0.250000 0.674337 0.990559 S\n0.750000 0.325663 0.009441 S\n0.750000 0.234603 0.288373 S\n0.250000 0.765397 0.711627 S\n0.750000 0.734603 0.211627 S\n0.250000 0.265397 0.788373 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hf",
"Pb",
"S"
],
"chemical_system": "Hf-Pb-S",
"density": 6.448407065734326,
"density_atomic": 0.04029303157501334,
"volume": 496.36374375966466,
"volume_molar": 14.945861665406362,
"formula_full": "Hf4 Pb4 S12",
"formula_reduced": "HfPbS3",
"formula_anonymous": "ABC3",
"energy": -133.44002121,
"energy_per_atom": -6.6720010604999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.40402121,
"band_gap": 1.4517000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.192000Z",
"spacegroup": 62
},
{
"id": "mp-989546",
"created_at": "2022-09-04T14:45:06.761260Z",
"structure_string": "Sr2 Tc2 N6\n1.0\n2.105731 -6.311819 0.000000\n2.105731 6.311819 0.000000\n0.000000 0.000000 5.768975\nSr Tc N\n2 2 6\ndirect\n0.629223 0.370777 0.250000 Sr\n0.370777 0.629223 0.750000 Sr\n0.095116 0.904884 0.750000 Tc\n0.904884 0.095116 0.250000 Tc\n0.454004 0.847680 0.250000 N\n0.152320 0.545996 0.250000 N\n0.000000 0.000000 0.500000 N\n0.545996 0.152320 0.750000 N\n0.847680 0.454004 0.750000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Tc",
"N"
],
"chemical_system": "N-Sr-Tc",
"density": 4.929941673152915,
"density_atomic": 0.06520995796561455,
"volume": 153.35081193079495,
"volume_molar": 9.235001751075346,
"formula_full": "Sr2 Tc2 N6",
"formula_reduced": "SrTcN3",
"formula_anonymous": "ABC3",
"energy": -79.63568953,
"energy_per_atom": -7.963568952999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.46968953,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.806000Z",
"spacegroup": 63
}
]
}