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=-id&page=10126",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=10124",
"results": [
{
"id": "mp-1147581",
"created_at": "2022-09-04T14:48:20.798562Z",
"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n-2.331468 2.331468 8.590620\n2.331468 -2.331468 8.590620\n2.331468 2.331468 -8.590620\nBa Cu S Cl\n2 1 2 2\ndirect\n0.626896 0.626896 0.000000 Ba\n0.373104 0.373104 0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.185061 0.185061 0.000000 Cl\n0.814939 0.814939 0.000000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"S",
"Cl"
],
"chemical_system": "Ba-Cl-Cu-S",
"density": 4.2071059978456455,
"density_atomic": 0.037476120083881126,
"volume": 186.7856113261515,
"volume_molar": 16.06927490498192,
"formula_full": "Ba2 Cu1 S2 Cl2",
"formula_reduced": "Ba2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -34.03009095,
"energy_per_atom": -4.861441564285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.79609095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0206899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.195000Z",
"spacegroup": 139
},
{
"id": "mp-1147580",
"created_at": "2022-09-04T14:43:35.348567Z",
"structure_string": "Sr2 Cu1 Se1 O2\n1.0\n3.951388 0.000000 0.000000\n0.000000 3.951388 0.000000\n0.000000 0.000000 6.986685\nSr Cu Se O\n2 1 1 2\ndirect\n0.000000 0.000000 0.242525 Sr\n0.000000 0.000000 0.757475 Sr\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Se\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se-Sr",
"density": 5.323899482187957,
"density_atomic": 0.055002285240392454,
"volume": 109.08637657101806,
"volume_molar": 10.948891911817283,
"formula_full": "Sr2 Cu1 Se1 O2",
"formula_reduced": "Sr2CuSeO2",
"formula_anonymous": "ABC2D2",
"energy": -33.67409638,
"energy_per_atom": -5.612349396666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.828096380000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0498189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.145000Z",
"spacegroup": 123
},
{
"id": "mp-1147579",
"created_at": "2022-09-04T14:45:12.694191Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n-2.304610 2.304610 8.038071\n2.304610 -2.304610 8.038071\n2.304610 2.304610 -8.038071\nSr Cu S Cl\n2 1 2 2\ndirect\n0.374905 0.374905 0.000000 Sr\n0.625095 0.625095 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 S\n0.000000 0.500000 0.500000 S\n0.189986 0.189986 0.000000 Cl\n0.810014 0.810014 0.000000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Sr",
"density": 3.635023650300665,
"density_atomic": 0.040991265540613414,
"volume": 170.76808699805878,
"volume_molar": 14.691277960260512,
"formula_full": "Sr2 Cu1 S2 Cl2",
"formula_reduced": "Sr2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -33.0780085,
"energy_per_atom": -4.725429785714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.8440085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.953000Z",
"spacegroup": 139
},
{
"id": "mp-1147578",
"created_at": "2022-09-04T14:45:07.964434Z",
"structure_string": "Ba2 Cu1 S2 Cl2\n1.0\n-2.433481 2.433481 7.717495\n2.433481 -2.433481 7.717495\n2.433481 2.433481 -7.717495\nBa Cu S Cl\n2 1 2 2\ndirect\n0.354229 0.354229 0.000000 Ba\n0.645771 0.645771 0.000000 Ba\n0.000000 0.000000 0.000000 Cu\n0.155836 0.155836 0.000000 S\n0.844164 0.844164 0.000000 S\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"S",
"Cl"
],
"chemical_system": "Ba-Cl-Cu-S",
"density": 4.298674931557234,
"density_atomic": 0.03829179916529379,
"volume": 182.80676679053855,
"volume_molar": 15.726972592758809,
"formula_full": "Ba2 Cu1 S2 Cl2",
"formula_reduced": "Ba2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -32.65668708,
"energy_per_atom": -4.665241011428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.422687080000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008293,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.813000Z",
"spacegroup": 139
},
{
"id": "mp-1147577",
"created_at": "2022-09-04T14:45:10.898157Z",
"structure_string": "Gd1 Cr1 O3\n1.0\n3.871736 0.000000 0.000000\n0.000000 3.871736 0.000000\n0.000000 0.000000 3.871736\nGd Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Cr",
"O"
],
"chemical_system": "Cr-Gd-O",
"density": 7.359997181461667,
"density_atomic": 0.08614950658825574,
"volume": 58.03863768944233,
"volume_molar": 6.990336913689259,
"formula_full": "Gd1 Cr1 O3",
"formula_reduced": "GdCrO3",
"formula_anonymous": "ABC3",
"energy": -53.26626486000001,
"energy_per_atom": -10.653252972,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.20626486,
"band_gap": 0.7847,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9990318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.214000Z",
"spacegroup": 221
},
{
"id": "mp-1147576",
"created_at": "2022-09-04T14:43:35.330626Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n-2.361212 2.361212 7.474477\n2.361212 -2.361212 7.474477\n2.361212 2.361212 -7.474477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.647443 0.647443 0.000000 Sr\n0.352557 0.352557 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.839368 0.839368 0.000000 S\n0.160632 0.160632 0.000000 S\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Sr",
"density": 3.7239444122125085,
"density_atomic": 0.041994003050533205,
"volume": 166.6904674835737,
"volume_molar": 14.340477979089771,
"formula_full": "Sr2 Cu1 S2 Cl2",
"formula_reduced": "Sr2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -31.54244294,
"energy_per_atom": -4.506063277142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.30844294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.109453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.208000Z",
"spacegroup": 139
},
{
"id": "mp-1147575",
"created_at": "2022-09-04T14:40:31.246501Z",
"structure_string": "Li3 Cu1 O1 F3\n1.0\n2.823852 0.000000 0.000000\n0.000000 2.823852 0.000000\n0.000000 0.000000 9.053753\nLi Cu O F\n3 1 1 3\ndirect\n0.500000 0.500000 0.268174 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.731826 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.271106 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.728894 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cu",
"O",
"F"
],
"chemical_system": "Cu-F-Li-O",
"density": 3.6194359990700846,
"density_atomic": 0.11080962426395066,
"volume": 72.19589501489371,
"volume_molar": 5.434673025923402,
"formula_full": "Li3 Cu1 O1 F3",
"formula_reduced": "Li3CuOF3",
"formula_anonymous": "ABC3D3",
"energy": -40.86004776,
"energy_per_atom": -5.10750597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.78704776,
"band_gap": 0.3282,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097706,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.997000Z",
"spacegroup": 123
},
{
"id": "mp-1147574",
"created_at": "2022-09-04T14:44:59.956525Z",
"structure_string": "K2 Cu1 Cl2 F2\n1.0\n0.000000 -3.568099 -3.565897\n0.000000 -3.561453 3.559171\n-6.367612 3.564776 0.003363\nK Cu Cl F\n2 1 2 2\ndirect\n0.651138 0.651138 0.302277 K\n0.348862 0.348862 0.697723 K\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n0.849273 0.849273 0.698546 F\n0.150727 0.150727 0.301454 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"K",
"Cu",
"Cl",
"F"
],
"chemical_system": "Cl-Cu-F-K",
"density": 2.5734241843034082,
"density_atomic": 0.043281327316969515,
"volume": 161.7325630689583,
"volume_molar": 13.913946575383493,
"formula_full": "K2 Cu1 Cl2 F2",
"formula_reduced": "K2Cu(ClF)2",
"formula_anonymous": "AB2C2D2",
"energy": -28.144462,
"energy_per_atom": -4.020637428571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.992462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.685000Z",
"spacegroup": 139
},
{
"id": "mp-1147573",
"created_at": "2022-09-04T14:42:14.659476Z",
"structure_string": "Ga2 Co1 S2 O2\n1.0\n-1.886226 1.886226 8.332635\n1.886226 -1.886226 8.332635\n1.886226 1.886226 -8.332635\nGa Co S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.855779 0.855779 0.000000 S\n0.144221 0.144221 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ga",
"Co",
"S",
"O"
],
"chemical_system": "Co-Ga-O-S",
"density": 4.123978408086833,
"density_atomic": 0.05902938197415488,
"volume": 118.58501251232553,
"volume_molar": 10.20193767679408,
"formula_full": "Ga2 Co1 S2 O2",
"formula_reduced": "Ga2Co(SO)2",
"formula_anonymous": "AB2C2D2",
"energy": -33.16898602,
"energy_per_atom": -4.738426574285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.150986020000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7391776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.121000Z",
"spacegroup": 139
},
{
"id": "mp-1147572",
"created_at": "2022-09-04T14:42:42.537942Z",
"structure_string": "La2 Pd1 O2 F2\n1.0\n-2.106568 2.106568 6.300252\n2.106568 -2.106568 6.300252\n2.106568 2.106568 -6.300252\nLa Pd O F\n2 1 2 2\ndirect\n0.373587 0.373587 0.000000 La\n0.626413 0.626413 0.000000 La\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"La",
"Pd",
"O",
"F"
],
"chemical_system": "F-La-O-Pd",
"density": 6.7445461695255835,
"density_atomic": 0.06259348933214767,
"volume": 111.83271734309336,
"volume_molar": 9.62103379162002,
"formula_full": "La2 Pd1 O2 F2",
"formula_reduced": "La2Pd(OF)2",
"formula_anonymous": "AB2C2D2",
"energy": -49.87137933,
"energy_per_atom": -7.124482761428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.57337933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1643728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.787000Z",
"spacegroup": 139
},
{
"id": "mp-1147571",
"created_at": "2022-09-04T14:41:12.979742Z",
"structure_string": "K1 Cu2 Ge1 S4\n1.0\n-3.128462 3.128462 4.313843\n3.128462 -3.128462 4.313843\n3.128462 3.128462 -4.313843\nK Cu Ge S\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Ge\n0.359750 0.958491 0.000000 S\n0.958491 0.359750 0.000000 S\n0.640250 0.640250 0.598741 S\n0.041509 0.041509 0.401259 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Cu",
"Ge",
"S"
],
"chemical_system": "Cu-Ge-K-S",
"density": 3.609407459192413,
"density_atomic": 0.0473700553503316,
"volume": 168.8830621124448,
"volume_molar": 12.71296965026207,
"formula_full": "K1 Cu2 Ge1 S4",
"formula_reduced": "KCu2GeS4",
"formula_anonymous": "ABC2D4",
"energy": -36.06493974,
"energy_per_atom": -4.5081174675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.05293974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8103212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.760000Z",
"spacegroup": 121
},
{
"id": "mp-1147570",
"created_at": "2022-09-04T14:40:07.409095Z",
"structure_string": "Ba1 Ni1 C4 Br1\n1.0\n4.998616 0.000000 0.000000\n0.000000 4.998616 0.000000\n0.000000 0.000000 5.024495\nBa Ni C Br\n1 1 4 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.375184 0.000000 0.000000 C\n0.624816 0.000000 0.000000 C\n0.000000 0.375184 0.000000 C\n0.000000 0.624816 0.000000 C\n0.000000 0.000000 0.500000 Br\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"C",
"Br"
],
"chemical_system": "Ba-Br-C-Ni",
"density": 4.285072472816398,
"density_atomic": 0.0557578567364646,
"volume": 125.5428456133991,
"volume_molar": 10.800524109926256,
"formula_full": "Ba1 Ni1 C4 Br1",
"formula_reduced": "BaNiC4Br",
"formula_anonymous": "ABCD4",
"energy": -45.27789597,
"energy_per_atom": -6.4682708528571435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.74389597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.855000Z",
"spacegroup": 123
}
]
}