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=created_at&page=1760",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=created_at&page=1758",
"results": [
{
"id": "mp-1198427",
"created_at": "2022-09-04T14:40:17.426060Z",
"structure_string": "Ru4 S4 N16 Cl8 O8\n1.0\n5.089530 0.000000 0.000000\n0.000000 14.004315 0.000000\n0.000000 0.000000 16.467943\nRu S N Cl O\n4 4 16 8 8\ndirect\n0.250000 0.184150 0.097525 Ru\n0.250000 0.315850 0.597525 Ru\n0.750000 0.815850 0.902475 Ru\n0.750000 0.684150 0.402475 Ru\n0.250000 0.475977 0.186509 S\n0.250000 0.024023 0.686509 S\n0.750000 0.524023 0.813491 S\n0.750000 0.975977 0.313491 S\n0.472491 0.298329 0.045628 N\n0.027509 0.201671 0.545628 N\n0.972491 0.701671 0.954372 N\n0.527509 0.798329 0.454372 N\n0.527509 0.701671 0.954372 N\n0.972491 0.798329 0.454372 N\n0.027509 0.298329 0.045628 N\n0.472491 0.201671 0.545628 N\n0.519747 0.160396 0.157110 N\n0.980253 0.339604 0.657110 N\n0.019747 0.839604 0.842890 N\n0.480253 0.660396 0.342890 N\n0.480253 0.839604 0.842890 N\n0.019747 0.660396 0.342890 N\n0.980253 0.160396 0.157110 N\n0.519747 0.339604 0.657110 N\n0.250000 0.081570 0.991897 Cl\n0.250000 0.418430 0.491897 Cl\n0.750000 0.918430 0.008103 Cl\n0.750000 0.581570 0.508103 Cl\n0.750000 0.335547 0.029560 Cl\n0.750000 0.164453 0.529560 Cl\n0.250000 0.664453 0.970440 Cl\n0.250000 0.835547 0.470440 Cl\n0.250000 0.453612 0.272306 O\n0.250000 0.046388 0.772306 O\n0.750000 0.546388 0.727694 O\n0.750000 0.953612 0.227694 O\n0.250000 0.574698 0.160313 O\n0.250000 0.925302 0.660313 O\n0.750000 0.425302 0.839687 O\n0.750000 0.074698 0.339687 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ru",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O-Ru-S",
"density": 1.6527686984461958,
"density_atomic": 0.03407854834891973,
"volume": 1173.7589169131372,
"volume_molar": 17.671353539890145,
"formula_full": "Ru4 S4 N16 Cl8 O8",
"formula_reduced": "RuSN4(ClO)2",
"formula_anonymous": "ABC2D2E4",
"energy": -223.45174593,
"energy_per_atom": -5.58629364825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.04374593,
"band_gap": 0.5038,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.146000Z",
"spacegroup": 62
},
{
"id": "mp-30454",
"created_at": "2022-09-04T14:40:17.430804Z",
"structure_string": "Er1 Bi1 Pt1\n1.0\n0.000000 3.356661 3.356661\n3.356661 0.000000 3.356661\n3.356661 3.356661 0.000000\nEr Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Er",
"Bi",
"Pt"
],
"chemical_system": "Bi-Er-Pt",
"density": 12.542342782057517,
"density_atomic": 0.039661470396533303,
"volume": 75.64016084139486,
"volume_molar": 15.183856523197331,
"formula_full": "Er1 Bi1 Pt1",
"formula_reduced": "ErBiPt",
"formula_anonymous": "ABC",
"energy": -17.60337538,
"energy_per_atom": -5.867791793333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.60337538,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.695000Z",
"spacegroup": 216
},
{
"id": "mp-570491",
"created_at": "2022-09-04T14:40:17.432735Z",
"structure_string": "Ta1 Ni3\n1.0\n-1.814404 1.814404 3.741031\n1.814404 -1.814404 3.741031\n1.814404 1.814404 -3.741031\nTa Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ni\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 12.034614527610778,
"density_atomic": 0.08119713463731874,
"volume": 49.26282211640475,
"volume_molar": 7.4166912254957635,
"formula_full": "Ta1 Ni3",
"formula_reduced": "TaNi3",
"formula_anonymous": "AB3",
"energy": -30.64129381,
"energy_per_atom": -7.6603234525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.64129381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047894,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.295000Z",
"spacegroup": 139
},
{
"id": "mp-1523205",
"created_at": "2022-09-04T14:40:17.436602Z",
"structure_string": "Sr4 Sm4 Eu4 Nb4 O24\n1.0\n8.477800 0.000000 0.000000\n0.000000 8.484493 0.000000\n0.000000 0.000000 8.481740\nSr Sm Eu Nb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.250150 0.249897 0.249922 Sm\n0.749850 0.750103 0.249922 Sm\n0.749850 0.249897 0.750078 Sm\n0.250150 0.750103 0.750078 Sm\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.749445 0.750074 0.750418 Nb\n0.250555 0.249926 0.750418 Nb\n0.250555 0.750074 0.249582 Nb\n0.749445 0.249926 0.249582 Nb\n0.982751 0.203502 0.287037 O\n0.017249 0.796498 0.287037 O\n0.017249 0.203502 0.712963 O\n0.982751 0.796498 0.712963 O\n0.289280 0.983496 0.202117 O\n0.289280 0.016504 0.797883 O\n0.710720 0.016504 0.202117 O\n0.710720 0.983496 0.797883 O\n0.203855 0.286819 0.982986 O\n0.796145 0.286819 0.017014 O\n0.203855 0.713181 0.017014 O\n0.796145 0.713181 0.982986 O\n0.516635 0.296046 0.212591 O\n0.483365 0.703954 0.212591 O\n0.483365 0.296046 0.787409 O\n0.516635 0.703954 0.787409 O\n0.213503 0.517220 0.296346 O\n0.213503 0.482780 0.703654 O\n0.786497 0.482780 0.296346 O\n0.786497 0.517220 0.703654 O\n0.298105 0.210936 0.516921 O\n0.701895 0.210936 0.483079 O\n0.298105 0.789064 0.483079 O\n0.701895 0.789064 0.516921 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Eu",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-Sr",
"density": 6.302004261547377,
"density_atomic": 0.06556408026710177,
"volume": 610.0901566382665,
"volume_molar": 9.185121998915225,
"formula_full": "Sr4 Sm4 Eu4 Nb4 O24",
"formula_reduced": "SrSmEuNbO6",
"formula_anonymous": "ABCDE6",
"energy": -360.70611151,
"energy_per_atom": -9.01765278775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.21811151,
"band_gap": 0.2381000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0110469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.872000Z",
"spacegroup": 16
},
{
"id": "mp-1235721",
"created_at": "2022-09-04T14:40:17.437962Z",
"structure_string": "Li1 Ru1 Pb1 O3\n1.0\n5.420850 0.000000 0.000000\n0.000000 3.871471 0.000000\n0.000000 0.000000 3.874947\nLi Ru Pb O\n1 1 1 3\ndirect\n0.500000 0.000000 0.000000 Li\n0.499998 0.499998 0.499998 Ru\n0.000000 0.000000 0.000000 Pb\n0.499998 0.499998 0.000000 O\n0.499998 0.000000 0.499998 O\n0.000000 0.499998 0.499998 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Ru",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb-Ru",
"density": 7.416461911868483,
"density_atomic": 0.07378058307424804,
"volume": 81.32220904193703,
"volume_molar": 8.162229829411492,
"formula_full": "Li1 Ru1 Pb1 O3",
"formula_reduced": "LiRuPbO3",
"formula_anonymous": "ABCD3",
"energy": -36.23793448,
"energy_per_atom": -6.039655746666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.17693448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5332066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.914000Z",
"spacegroup": 123
},
{
"id": "mp-1182891",
"created_at": "2022-09-04T14:40:17.438465Z",
"structure_string": "Al2 C2 N2 O10\n1.0\n2.463491 -6.888385 0.000000\n2.463491 6.888385 0.000000\n0.000000 0.000000 6.152835\nAl C N O\n2 2 2 10\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.174368 0.825632 0.750000 C\n0.825632 0.174368 0.250000 C\n0.521197 0.478803 0.750000 N\n0.478803 0.521197 0.250000 N\n0.262776 0.737224 0.750000 O\n0.737224 0.262776 0.250000 O\n0.122944 0.877056 0.935242 O\n0.877056 0.122944 0.064758 O\n0.122944 0.877056 0.564758 O\n0.877056 0.122944 0.435242 O\n0.683690 0.750461 0.750000 O\n0.750461 0.683690 0.250000 O\n0.316310 0.249539 0.250000 O\n0.249539 0.316310 0.750000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"C",
"N",
"O"
],
"chemical_system": "Al-C-N-O",
"density": 2.1151628744742372,
"density_atomic": 0.0766207371376797,
"volume": 208.82075268017354,
"volume_molar": 7.859674789057202,
"formula_full": "Al2 C2 N2 O10",
"formula_reduced": "AlCNO5",
"formula_anonymous": "ABCD5",
"energy": -116.0777316,
"energy_per_atom": -7.254858225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.2077316,
"band_gap": 0.3063,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.962000Z",
"spacegroup": 63
},
{
"id": "mp-780518",
"created_at": "2022-09-04T14:40:17.439221Z",
"structure_string": "Li10 Ni8 O16\n1.0\n2.864335 5.240477 -0.000619\n5.744365 -0.008492 0.001217\n-0.002177 0.001824 -9.626783\nLi Ni O\n10 8 16\ndirect\n0.972949 0.011145 0.485308 Li\n0.027393 0.983926 0.985136 Li\n0.198302 0.184801 0.558439 Li\n0.353523 0.323231 0.782307 Li\n0.594325 0.203702 0.545060 Li\n0.203624 0.618825 0.559144 Li\n0.805703 0.383646 0.057505 Li\n0.646254 0.676568 0.282344 Li\n0.408144 0.796807 0.043118 Li\n0.801041 0.817284 0.058537 Li\n0.330699 0.335465 0.033503 Ni\n0.663854 0.667565 0.533054 Ni\n0.151647 0.176718 0.286268 Ni\n0.642991 0.178626 0.286763 Ni\n0.152337 0.670631 0.286412 Ni\n0.847990 0.328819 0.786330 Ni\n0.359593 0.819926 0.787132 Ni\n0.847242 0.822952 0.786275 Ni\n0.010753 0.987232 0.680707 O\n0.982030 0.002062 0.181542 O\n0.186829 0.163722 0.914259 O\n0.476586 0.028235 0.157928 O\n0.702376 0.145345 0.902124 O\n0.014060 0.501136 0.167774 O\n0.311673 0.350128 0.399242 O\n0.481849 0.494254 0.156315 O\n0.809725 0.349419 0.411846 O\n0.192359 0.646157 0.913839 O\n0.525206 0.500117 0.657052 O\n0.983160 0.511390 0.667338 O\n0.694011 0.659081 0.900596 O\n0.299123 0.840266 0.404878 O\n0.519670 0.977436 0.654906 O\n0.803352 0.842998 0.411656 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.551377256327232,
"density_atomic": 0.1172287548215585,
"volume": 290.0312304071949,
"volume_molar": 5.137084983259177,
"formula_full": "Li10 Ni8 O16",
"formula_reduced": "Li5(NiO2)4",
"formula_anonymous": "A4B5C8",
"energy": -195.59472138,
"energy_per_atom": -5.752785922941177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.27472138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9993914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.353000Z",
"spacegroup": 9
},
{
"id": "mp-690617",
"created_at": "2022-09-04T14:40:17.440361Z",
"structure_string": "Li1 Mn3 Al2 H6 O12\n1.0\n4.414017 2.592384 0.000000\n-4.414017 2.592384 0.000000\n0.000000 1.809664 9.529923\nLi Mn Al H O\n1 3 2 6 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.664830 0.335170 0.000000 Mn\n0.335170 0.664830 0.000000 Mn\n0.166814 0.833186 0.500000 Al\n0.833186 0.166814 0.500000 Al\n0.224967 0.224967 0.293058 H\n0.918737 0.569982 0.293429 H\n0.569982 0.918737 0.293429 H\n0.430018 0.081263 0.706571 H\n0.081263 0.430018 0.706571 H\n0.775033 0.775033 0.706942 H\n0.170268 0.170268 0.395796 O\n0.326054 0.326054 0.108834 O\n0.899231 0.536452 0.396161 O\n0.962457 0.625891 0.101113 O\n0.536452 0.899231 0.396161 O\n0.625891 0.962457 0.101113 O\n0.374109 0.037543 0.898887 O\n0.463548 0.100769 0.603839 O\n0.037543 0.374109 0.898887 O\n0.100769 0.463548 0.603839 O\n0.673946 0.673946 0.891166 O\n0.829732 0.829732 0.604204 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Al",
"H",
"O"
],
"chemical_system": "Al-H-Li-Mn-O",
"density": 3.226375825735103,
"density_atomic": 0.11004201154452799,
"volume": 218.0985213114585,
"volume_molar": 5.4725833120227625,
"formula_full": "Li1 Mn3 Al2 H6 O12",
"formula_reduced": "LiMn3Al2(HO2)6",
"formula_anonymous": "AB2C3D6E12",
"energy": -165.80267519,
"energy_per_atom": -6.908444799583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.55467519,
"band_gap": 0.5024,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0013177,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.106000Z",
"spacegroup": 12
},
{
"id": "mp-1235337",
"created_at": "2022-09-04T14:40:17.446686Z",
"structure_string": "K2 Li1 S2 O4 F2\n1.0\n5.162788 -0.204597 -1.715133\n-0.466446 6.678547 -0.618442\n-0.448170 -0.848229 7.193766\nK Li S O F\n2 1 2 4 2\ndirect\n0.157054 0.144006 0.287760 K\n0.815137 0.880634 0.702977 K\n0.873283 0.497364 0.954835 Li\n0.407977 0.234486 0.836431 S\n0.560969 0.766499 0.168510 S\n0.473434 0.415194 0.758827 O\n0.635420 0.979051 0.304856 O\n0.631531 0.605452 0.283234 O\n0.302062 0.038266 0.669769 O\n0.003274 0.766925 0.047273 F\n0.959304 0.245040 0.948490 F\n",
"nsites": 11,
"nelements": 5,
"elements": [
"K",
"Li",
"S",
"O",
"F"
],
"chemical_system": "F-K-Li-O-S",
"density": 1.7473659564097066,
"density_atomic": 0.04606813538365718,
"volume": 238.77675769578218,
"volume_molar": 13.072247682367397,
"formula_full": "K2 Li1 S2 O4 F2",
"formula_reduced": "K2LiS2(O2F)2",
"formula_anonymous": "AB2C2D2E4",
"energy": -58.93164126,
"energy_per_atom": -5.357421932727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.25964126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.989746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.962000Z",
"spacegroup": 1
},
{
"id": "mp-1025273",
"created_at": "2022-09-04T14:40:17.453507Z",
"structure_string": "Cs2 Yb1 H4\n1.0\n-2.308808 2.308808 7.731620\n2.308808 -2.308808 7.731620\n2.308808 2.308808 -7.731620\nCs Yb H\n2 1 4\ndirect\n0.353230 0.353230 0.000000 Cs\n0.646770 0.646770 0.000000 Cs\n0.000000 0.000000 0.000000 Yb\n0.150781 0.150781 0.000000 H\n0.849219 0.849219 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cs",
"Yb",
"H"
],
"chemical_system": "Cs-H-Yb",
"density": 4.460994098953574,
"density_atomic": 0.04246116549369022,
"volume": 164.85652050790287,
"volume_molar": 14.182702452891682,
"formula_full": "Cs2 Yb1 H4",
"formula_reduced": "Cs2YbH4",
"formula_anonymous": "AB2C4",
"energy": -19.76855153,
"energy_per_atom": -2.82407879,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.05255153,
"band_gap": 2.9142,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.520000Z",
"spacegroup": 139
},
{
"id": "mp-1221610",
"created_at": "2022-09-04T14:40:17.455773Z",
"structure_string": "Mn1 Ge1 Te2\n1.0\n4.167517 0.000000 0.000000\n0.000000 4.167517 0.000000\n0.000000 0.000000 5.949536\nMn Ge Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"Te"
],
"chemical_system": "Ge-Mn-Te",
"density": 6.151177517994309,
"density_atomic": 0.038709907581988424,
"volume": 103.33271893062295,
"volume_molar": 15.5571044628432,
"formula_full": "Mn1 Ge1 Te2",
"formula_reduced": "MnGeTe2",
"formula_anonymous": "ABC2",
"energy": -21.12995016,
"energy_per_atom": -5.28248754,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.28595016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9997206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.421000Z",
"spacegroup": 123
},
{
"id": "mp-1207190",
"created_at": "2022-09-04T14:40:17.460379Z",
"structure_string": "Sm1 Bi1 Pd1\n1.0\n0.000000 3.408331 3.408331\n3.408331 0.000000 3.408331\n3.408331 3.408331 0.000000\nSm Bi Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sm",
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd-Sm",
"density": 9.766891629476316,
"density_atomic": 0.03788488428859446,
"volume": 79.18725518987986,
"volume_molar": 15.895893238383234,
"formula_full": "Sm1 Bi1 Pd1",
"formula_reduced": "SmBiPd",
"formula_anonymous": "ABC",
"energy": -16.63909874,
"energy_per_atom": -5.546366246666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.63909874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.480000Z",
"spacegroup": 216
}
]
}