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=-is_magnetic&page=11510",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=11508",
"results": [
{
"id": "mp-31084",
"created_at": "2022-09-04T14:42:05.813642Z",
"structure_string": "Zr12 Ge24 Rh12\n1.0\n8.089070 0.000000 0.000000\n0.000000 9.416769 0.000000\n0.000000 0.000000 10.585483\nZr Ge Rh\n12 24 12\ndirect\n0.758576 0.328523 0.048437 Zr\n0.758576 0.828523 0.451563 Zr\n0.758576 0.671477 0.951563 Zr\n0.000000 0.665593 0.679113 Zr\n0.241424 0.828523 0.451563 Zr\n0.241424 0.328523 0.048437 Zr\n0.000000 0.165593 0.820887 Zr\n0.241424 0.671477 0.951563 Zr\n0.241424 0.171477 0.548437 Zr\n0.758576 0.171477 0.548437 Zr\n0.000000 0.834407 0.179113 Zr\n0.000000 0.334407 0.320887 Zr\n0.348185 0.656905 0.682628 Ge\n0.500000 0.947669 0.609564 Ge\n0.000000 0.038144 0.384474 Ge\n0.348185 0.343095 0.317372 Ge\n0.000000 0.538144 0.115526 Ge\n0.000000 0.461856 0.884474 Ge\n0.500000 0.861015 0.900931 Ge\n0.651815 0.343095 0.317372 Ge\n0.651815 0.843095 0.182628 Ge\n0.000000 0.961856 0.615526 Ge\n0.000000 0.628571 0.397147 Ge\n0.500000 0.052331 0.390436 Ge\n0.500000 0.361015 0.599069 Ge\n0.500000 0.138985 0.099069 Ge\n0.500000 0.552331 0.109564 Ge\n0.651815 0.656905 0.682628 Ge\n0.651815 0.156905 0.817372 Ge\n0.348185 0.156905 0.817372 Ge\n0.000000 0.128571 0.102853 Ge\n0.000000 0.871429 0.897147 Ge\n0.500000 0.447669 0.890436 Ge\n0.348185 0.843095 0.182628 Ge\n0.500000 0.638985 0.400931 Ge\n0.000000 0.371429 0.602853 Ge\n0.748414 0.405056 0.755838 Rh\n0.252751 0.000000 0.000000 Rh\n0.748414 0.594944 0.244162 Rh\n0.747249 0.000000 0.000000 Rh\n0.748414 0.905056 0.744162 Rh\n0.748414 0.094944 0.255838 Rh\n0.251586 0.405056 0.755838 Rh\n0.251586 0.594944 0.244162 Rh\n0.252751 0.500000 0.500000 Rh\n0.747249 0.500000 0.500000 Rh\n0.251586 0.905056 0.744162 Rh\n0.251586 0.094944 0.255838 Rh\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Zr",
"density": 8.38770500168894,
"density_atomic": 0.05952920020327383,
"volume": 806.3269762754215,
"volume_molar": 10.116280311907854,
"formula_full": "Zr12 Ge24 Rh12",
"formula_reduced": "ZrGe2Rh",
"formula_anonymous": "ABC2",
"energy": -336.33642458,
"energy_per_atom": -7.007008845416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -336.33642458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001464,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.934000Z",
"spacegroup": 55
},
{
"id": "mp-1186950",
"created_at": "2022-09-04T14:42:05.816345Z",
"structure_string": "Sc2 In1 Hg1\n1.0\n0.000000 3.550674 3.550674\n3.550674 0.000000 3.550674\n3.550674 3.550674 0.000000\nSc In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Hg"
],
"chemical_system": "Hg-In-Sc",
"density": 7.517692319796154,
"density_atomic": 0.04467839831671161,
"volume": 89.52872418669115,
"volume_molar": 13.478864477886766,
"formula_full": "Sc2 In1 Hg1",
"formula_reduced": "Sc2InHg",
"formula_anonymous": "ABC2",
"energy": -17.400918,
"energy_per_atom": -4.3502295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.400918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1033839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.944000Z",
"spacegroup": 225
},
{
"id": "mp-1206205",
"created_at": "2022-09-04T14:42:05.819433Z",
"structure_string": "Nd2 Si3 Pt3\n1.0\n2.798661 0.000000 0.000000\n0.000000 2.798661 0.000000\n0.000000 0.000000 21.160108\nNd Si Pt\n2 3 3\ndirect\n0.500000 0.500000 0.753724 Nd\n0.500000 0.500000 0.246276 Nd\n0.500000 0.500000 0.388910 Si\n0.500000 0.500000 0.611090 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.111929 Pt\n0.500000 0.500000 0.888071 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Pt"
],
"chemical_system": "Nd-Pt-Si",
"density": 9.598264968791444,
"density_atomic": 0.0482693571933511,
"volume": 165.73661770457483,
"volume_molar": 12.476115511290724,
"formula_full": "Nd2 Si3 Pt3",
"formula_reduced": "Nd2(SiPt)3",
"formula_anonymous": "A2B3C3",
"energy": -40.41846561,
"energy_per_atom": -5.05230820125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.63146561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.301000Z",
"spacegroup": 123
},
{
"id": "mp-1094795",
"created_at": "2022-09-04T14:42:05.822535Z",
"structure_string": "Mg3 Sn1\n1.0\n1.663433 -2.881150 0.000000\n1.663433 2.881150 0.000000\n0.000000 0.000000 9.988545\nMg Sn\n3 1\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.751018 Mg\n0.000000 0.000000 0.248982 Mg\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.3235166346605833,
"density_atomic": 0.041778859750124825,
"volume": 95.74220129327605,
"volume_molar": 14.414325321509061,
"formula_full": "Mg3 Sn1",
"formula_reduced": "Mg3Sn",
"formula_anonymous": "AB3",
"energy": -8.8802016,
"energy_per_atom": -2.2200504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.8802016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.452000Z",
"spacegroup": 187
},
{
"id": "mp-1079874",
"created_at": "2022-09-04T14:42:05.834754Z",
"structure_string": "Er3 Sn3 Pd3\n1.0\n3.816069 -6.609625 0.000000\n3.816069 6.609625 0.000000\n0.000000 0.000000 3.858142\nEr Sn Pd\n3 3 3\ndirect\n0.404859 0.404859 0.500000 Er\n0.595141 0.000000 0.500000 Er\n0.000000 0.595141 0.500000 Er\n0.739194 0.739194 0.000000 Sn\n0.260806 0.000000 0.000000 Sn\n0.000000 0.260806 0.000000 Sn\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Sn",
"Pd"
],
"chemical_system": "Er-Pd-Sn",
"density": 10.043519651195309,
"density_atomic": 0.046242495905511674,
"volume": 194.62617282574672,
"volume_molar": 13.022957870408154,
"formula_full": "Er3 Sn3 Pd3",
"formula_reduced": "ErSnPd",
"formula_anonymous": "ABC",
"energy": -49.65976275999999,
"energy_per_atom": -5.517751417777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.65976275999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.044000Z",
"spacegroup": 189
},
{
"id": "mp-21872",
"created_at": "2022-09-04T14:42:05.840666Z",
"structure_string": "Pr4 Lu4 O12\n1.0\n5.770562 0.000000 0.000000\n0.000000 6.010330 0.000000\n0.000000 0.000000 8.359749\nPr Lu O\n4 4 12\ndirect\n0.984337 0.053889 0.250000 Pr\n0.484337 0.446111 0.750000 Pr\n0.515663 0.553889 0.250000 Pr\n0.015663 0.946111 0.750000 Pr\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.691948 0.305827 0.435253 O\n0.191948 0.194173 0.564747 O\n0.808052 0.805827 0.064747 O\n0.308052 0.694173 0.935253 O\n0.308052 0.694173 0.564747 O\n0.808052 0.805827 0.435253 O\n0.191948 0.194173 0.935253 O\n0.691948 0.305827 0.064747 O\n0.123079 0.445888 0.250000 O\n0.623079 0.054112 0.750000 O\n0.376921 0.945888 0.250000 O\n0.876921 0.554112 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Lu",
"O"
],
"chemical_system": "Lu-O-Pr",
"density": 8.335834313068831,
"density_atomic": 0.06897954546854253,
"volume": 289.94102330118733,
"volume_molar": 8.730328272090949,
"formula_full": "Pr4 Lu4 O12",
"formula_reduced": "PrLuO3",
"formula_anonymous": "ABC3",
"energy": -174.92237758,
"energy_per_atom": -8.746118878999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.67837757999996,
"band_gap": 4.8757,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.035945,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.304000Z",
"spacegroup": 62
},
{
"id": "mp-1022643",
"created_at": "2022-09-04T14:42:08.754956Z",
"structure_string": "K2 Mg12 Zn2\n1.0\n5.194027 0.000000 0.000000\n0.000000 6.774374 0.000000\n0.000000 0.000000 11.571338\nK Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.170838 K\n0.500000 0.000000 0.670838 K\n0.000000 0.228865 0.072966 Mg\n0.000000 0.771135 0.072966 Mg\n0.000000 0.500000 0.832719 Mg\n0.500000 0.241305 0.917295 Mg\n0.500000 0.758695 0.917295 Mg\n0.500000 0.500000 0.663343 Mg\n0.000000 0.728865 0.572966 Mg\n0.000000 0.271135 0.572966 Mg\n0.000000 0.000000 0.332719 Mg\n0.500000 0.741305 0.417295 Mg\n0.500000 0.258695 0.417295 Mg\n0.500000 0.000000 0.163343 Mg\n0.000000 0.500000 0.352578 Zn\n0.000000 0.000000 0.852578 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Zn"
],
"chemical_system": "K-Mg-Zn",
"density": 2.0419622314428096,
"density_atomic": 0.03929732880749892,
"volume": 407.1523557842129,
"volume_molar": 15.324554983113314,
"formula_full": "K2 Mg12 Zn2",
"formula_reduced": "KMg6Zn",
"formula_anonymous": "ABC6",
"energy": -21.26878015,
"energy_per_atom": -1.329298759375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.26878015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023361,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.422000Z",
"spacegroup": 38
},
{
"id": "mp-1183330",
"created_at": "2022-09-04T14:42:05.854761Z",
"structure_string": "Ba3 Sr1\n1.0\n0.000000 4.983362 4.983362\n4.983362 0.000000 4.983362\n4.983362 4.983362 0.000000\nBa Sr\n3 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 3.3517768120219915,
"density_atomic": 0.016160793725453676,
"volume": 247.51259547975633,
"volume_molar": 37.26389224630081,
"formula_full": "Ba3 Sr1",
"formula_reduced": "Ba3Sr",
"formula_anonymous": "AB3",
"energy": -7.43989528,
"energy_per_atom": -1.85997382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.43989528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003226,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.862000Z",
"spacegroup": 225
},
{
"id": "mp-1350084",
"created_at": "2022-09-04T14:42:08.420306Z",
"structure_string": "Y4 V12 O36\n1.0\n5.137465 0.000000 0.000000\n0.000000 8.163219 0.000000\n0.000000 0.052141 15.656461\nY V O\n4 12 36\ndirect\n0.757316 0.757981 0.161357 Y\n0.257033 0.240710 0.336499 Y\n0.742967 0.240710 0.836499 Y\n0.242684 0.757981 0.661357 Y\n0.243819 0.485179 0.837801 V\n0.235477 0.460310 0.501632 V\n0.255729 0.517751 0.163127 V\n0.764523 0.460310 0.001632 V\n0.744271 0.517751 0.663127 V\n0.756181 0.485179 0.337801 V\n0.279754 0.952911 0.836667 V\n0.250341 0.963551 0.494228 V\n0.234330 0.051503 0.159244 V\n0.749659 0.963551 0.994228 V\n0.765670 0.051503 0.659244 V\n0.720246 0.952911 0.336667 V\n0.529470 0.461937 0.915611 O\n0.511161 0.467996 0.585437 O\n0.419984 0.451117 0.257777 O\n0.012779 0.533047 0.914844 O\n0.031032 0.550103 0.584347 O\n0.919717 0.552972 0.242495 O\n0.080283 0.552972 0.742495 O\n0.987221 0.533047 0.414844 O\n0.968968 0.550103 0.084347 O\n0.580016 0.451117 0.757777 O\n0.470530 0.461937 0.415611 O\n0.488839 0.467996 0.085437 O\n0.075944 0.965436 0.744975 O\n0.992655 0.967185 0.413158 O\n0.977126 0.958185 0.085720 O\n0.576271 0.034319 0.758676 O\n0.485732 0.054131 0.417605 O\n0.486817 0.034933 0.087600 O\n0.514268 0.054131 0.917605 O\n0.513183 0.034933 0.587600 O\n0.423729 0.034319 0.258676 O\n0.007345 0.967185 0.913158 O\n0.022874 0.958185 0.585720 O\n0.924056 0.965436 0.244975 O\n0.363422 0.755842 0.831773 O\n0.343572 0.768629 0.504986 O\n0.313943 0.727344 0.169754 O\n0.847383 0.261836 0.993323 O\n0.855605 0.250419 0.669340 O\n0.814798 0.276121 0.331542 O\n0.185202 0.276121 0.831542 O\n0.152617 0.261836 0.493323 O\n0.144395 0.250419 0.169340 O\n0.686057 0.727344 0.669754 O\n0.636578 0.755842 0.331773 O\n0.656428 0.768629 0.004986 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 3.9019607434291537,
"density_atomic": 0.07919530198541368,
"volume": 656.6046052779425,
"volume_molar": 7.604164147400017,
"formula_full": "Y4 V12 O36",
"formula_reduced": "YV3O9",
"formula_anonymous": "AB3C9",
"energy": -447.08647047,
"energy_per_atom": -8.597816739807692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -401.95447047,
"band_gap": 1.3534,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007627,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.698000Z",
"spacegroup": 7
},
{
"id": "mp-1111667",
"created_at": "2022-09-04T14:42:05.866951Z",
"structure_string": "Na2 Al1 Hg1 Cl6\n1.0\n0.000000 5.187996 5.187996\n5.187996 0.000000 5.187996\n5.187996 5.187996 0.000000\nNa Al Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.773794 0.226206 0.226206 Cl\n0.226206 0.226206 0.773794 Cl\n0.226206 0.773794 0.773794 Cl\n0.226206 0.773794 0.226206 Cl\n0.773794 0.226206 0.773794 Cl\n0.773794 0.773794 0.226206 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Al",
"Hg",
"Cl"
],
"chemical_system": "Al-Cl-Hg-Na",
"density": 2.8913246371646504,
"density_atomic": 0.035807261394393566,
"volume": 279.27296337624205,
"volume_molar": 16.818210959140544,
"formula_full": "Na2 Al1 Hg1 Cl6",
"formula_reduced": "Na2AlHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.46034119,
"energy_per_atom": -3.346034119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.776341190000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0181338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.129000Z",
"spacegroup": 225
},
{
"id": "mp-21208",
"created_at": "2022-09-04T14:42:05.869168Z",
"structure_string": "Rh3 F9\n1.0\n2.507201 -4.342600 0.000000\n2.507201 4.342600 0.000000\n0.000000 0.000000 7.319856\nRh F\n3 9\ndirect\n0.666667 0.333333 0.339432 Rh\n0.333333 0.666667 0.660568 Rh\n0.000000 0.000000 0.000000 Rh\n0.666173 0.964241 0.821825 F\n0.035759 0.701932 0.821825 F\n0.298068 0.333827 0.821825 F\n0.653114 0.653114 0.500000 F\n0.346886 0.000000 0.500000 F\n0.000000 0.346886 0.500000 F\n0.964241 0.666173 0.178175 F\n0.333827 0.298068 0.178175 F\n0.701932 0.035759 0.178175 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rh",
"F"
],
"chemical_system": "F-Rh",
"density": 4.997458884188938,
"density_atomic": 0.07528522150673095,
"volume": 159.39383267839796,
"volume_molar": 7.999100805543337,
"formula_full": "Rh3 F9",
"formula_reduced": "RhF3",
"formula_anonymous": "AB3",
"energy": -60.07655308,
"energy_per_atom": -5.006379423333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.91855308000001,
"band_gap": 0.5699000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005048,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.037000Z",
"spacegroup": 150
},
{
"id": "mp-973866",
"created_at": "2022-09-04T14:42:05.872835Z",
"structure_string": "Lu2 Os6\n1.0\n2.863162 -4.959142 0.000000\n2.863162 4.959142 0.000000\n0.000000 0.000000 4.594799\nLu Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n0.162713 0.325427 0.250000 Os\n0.674573 0.837287 0.250000 Os\n0.162713 0.837287 0.250000 Os\n0.837287 0.674573 0.750000 Os\n0.325427 0.162713 0.750000 Os\n0.837287 0.162713 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"Os"
],
"chemical_system": "Lu-Os",
"density": 18.97882028278055,
"density_atomic": 0.06131136822487805,
"volume": 130.4815115307421,
"volume_molar": 9.82222536269615,
"formula_full": "Lu2 Os6",
"formula_reduced": "LuOs3",
"formula_anonymous": "AB3",
"energy": -74.32891054,
"energy_per_atom": -9.2911138175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.32891054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.268000Z",
"spacegroup": 194
}
]
}