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=101",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=99",
"results": [
{
"id": "mp-3211",
"created_at": "2022-09-04T14:41:17.389543Z",
"structure_string": "Nd2 S1 O2\n1.0\n1.991404 -3.449212 0.000000\n1.991404 3.449212 0.000000\n0.000000 0.000000 6.849174\nNd S O\n2 1 2\ndirect\n0.666667 0.333333 0.719543 Nd\n0.333333 0.666667 0.280457 Nd\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.629381 O\n0.666667 0.333333 0.370619 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"S",
"O"
],
"chemical_system": "Nd-O-S",
"density": 6.221851592150614,
"density_atomic": 0.053140121834130784,
"volume": 94.09086444338193,
"volume_molar": 11.332568598162501,
"formula_full": "Nd2 S1 O2",
"formula_reduced": "Nd2SO2",
"formula_anonymous": "AB2C2",
"energy": -40.82863347,
"energy_per_atom": -8.165726694,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.95163347,
"band_gap": 2.8667,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.619000Z",
"spacegroup": 164
},
{
"id": "mp-1113900",
"created_at": "2022-09-04T14:41:20.920151Z",
"structure_string": "Na2 Li1 Sc1 F6\n1.0\n0.000000 4.017450 4.017450\n4.017450 0.000000 4.017450\n4.017450 4.017450 0.000000\nNa Li Sc F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sc\n0.250423 0.250423 0.749577 F\n0.250423 0.749577 0.749577 F\n0.749577 0.749577 0.250423 F\n0.250423 0.749577 0.250423 F\n0.749577 0.250423 0.749577 F\n0.749577 0.250423 0.250423 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Sc",
"F"
],
"chemical_system": "F-Li-Na-Sc",
"density": 2.7128807931583547,
"density_atomic": 0.0771113955931507,
"volume": 129.68251868713728,
"volume_molar": 7.80966381645271,
"formula_full": "Na2 Li1 Sc1 F6",
"formula_reduced": "Na2LiScF6",
"formula_anonymous": "ABC2D6",
"energy": -57.23474702,
"energy_per_atom": -5.723474702,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.46274702,
"band_gap": 6.059800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.265000Z",
"spacegroup": 225
},
{
"id": "mp-1112586",
"created_at": "2022-09-04T14:41:19.480646Z",
"structure_string": "Cs2 Al1 In1 F6\n1.0\n0.000000 4.582762 4.582762\n4.582762 0.000000 4.582762\n4.582762 4.582762 0.000000\nCs Al In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.797849 0.202151 0.202151 F\n0.202151 0.202151 0.797849 F\n0.202151 0.797849 0.797849 F\n0.202151 0.797849 0.202151 F\n0.797849 0.202151 0.797849 F\n0.797849 0.797849 0.202151 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Al",
"In",
"F"
],
"chemical_system": "Al-Cs-F-In",
"density": 4.499616410682884,
"density_atomic": 0.05195030414133532,
"volume": 192.49165457807774,
"volume_molar": 11.592118389944824,
"formula_full": "Cs2 Al1 In1 F6",
"formula_reduced": "Cs2AlInF6",
"formula_anonymous": "ABC2D6",
"energy": -51.39498892,
"energy_per_atom": -5.139498892000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.62298892,
"band_gap": 4.5643,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.906000Z",
"spacegroup": 225
},
{
"id": "mp-3020",
"created_at": "2022-09-04T14:41:19.483899Z",
"structure_string": "Ba1 Nb1 O3\n1.0\n4.154373 0.000000 0.000000\n0.000000 4.154373 0.000000\n0.000000 0.000000 4.154373\nBa Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.4437555745418145,
"density_atomic": 0.06973543964048891,
"volume": 71.69955514408147,
"volume_molar": 8.635696270140814,
"formula_full": "Ba1 Nb1 O3",
"formula_reduced": "BaNbO3",
"formula_anonymous": "ABC3",
"energy": -42.7579358,
"energy_per_atom": -8.55158716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.6969358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006883,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.828000Z",
"spacegroup": 221
},
{
"id": "mp-1235048",
"created_at": "2022-09-04T14:41:19.488911Z",
"structure_string": "K2 Li1 La4 O7\n1.0\n6.193146 0.000111 -0.000018\n-3.096476 5.363306 0.000354\n0.000020 0.000484 8.890504\nK Li La O\n2 1 4 7\ndirect\n0.333151 0.666417 0.997191 K\n0.666490 0.332985 0.895533 K\n0.666695 0.333387 0.244319 Li\n0.000023 0.000034 0.257624 La\n0.999973 0.999942 0.747554 La\n0.333357 0.666661 0.495362 La\n0.666699 0.333353 0.535005 La\n0.974173 0.629220 0.350625 O\n0.009149 0.361487 0.669059 O\n0.000247 0.000383 0.001700 O\n0.370820 0.344969 0.350610 O\n0.638464 0.647603 0.669076 O\n0.352349 0.990809 0.669057 O\n0.655081 0.025882 0.350618 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Li",
"La",
"O"
],
"chemical_system": "K-La-Li-O",
"density": 4.2328038088950235,
"density_atomic": 0.047408178256304674,
"volume": 295.30769826908886,
"volume_molar": 12.702746617771865,
"formula_full": "K2 Li1 La4 O7",
"formula_reduced": "K2LiLa4O7",
"formula_anonymous": "AB2C4D7",
"energy": -99.47989187,
"energy_per_atom": -7.105706562142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.67089187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0183195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.845000Z",
"spacegroup": 143
},
{
"id": "mp-1215524",
"created_at": "2022-09-04T14:41:19.492217Z",
"structure_string": "Zn1 Cd1 Au2\n1.0\n3.212275 0.000000 0.000000\n0.000000 3.212275 0.000000\n0.000000 0.000000 6.973548\nZn Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.722995 Au\n0.000000 0.000000 0.277005 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Zn",
"density": 13.194059074395879,
"density_atomic": 0.055587963187865005,
"volume": 71.95802419458337,
"volume_molar": 10.833533762781668,
"formula_full": "Zn1 Cd1 Au2",
"formula_reduced": "ZnCdAu2",
"formula_anonymous": "ABC2",
"energy": -9.5346393,
"energy_per_atom": -2.383659825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.5346393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.580000Z",
"spacegroup": 123
},
{
"id": "mp-11318",
"created_at": "2022-09-04T14:41:17.403107Z",
"structure_string": "Ce1 Pt3\n1.0\n4.173339 0.000000 0.000000\n0.000000 4.173339 0.000000\n0.000000 0.000000 4.173339\nCe Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Pt"
],
"chemical_system": "Ce-Pt",
"density": 16.57129690049868,
"density_atomic": 0.055031202118120286,
"volume": 72.68603712152797,
"volume_molar": 10.943138670810667,
"formula_full": "Ce1 Pt3",
"formula_reduced": "CePt3",
"formula_anonymous": "AB3",
"energy": -28.0076101,
"energy_per_atom": -7.001902525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.0076101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002916,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.401000Z",
"spacegroup": 221
},
{
"id": "mp-510268",
"created_at": "2022-09-04T14:41:16.752992Z",
"structure_string": "Cs2 Pd3 S4\n1.0\n0.000000 5.416595 7.172514\n3.216608 0.000000 7.172514\n3.216608 5.416595 0.000000\nCs Pd S\n2 3 4\ndirect\n0.161268 0.161268 0.838732 Cs\n0.838732 0.838732 0.161268 Cs\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.774229 0.437241 0.562759 S\n0.562759 0.225771 0.774229 S\n0.225771 0.562759 0.437241 S\n0.437241 0.774229 0.225771 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Pd",
"S"
],
"chemical_system": "Cs-Pd-S",
"density": 4.7393003686661,
"density_atomic": 0.03600945985049189,
"volume": 249.93432385176584,
"volume_molar": 16.723774211008436,
"formula_full": "Cs2 Pd3 S4",
"formula_reduced": "Cs2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy": -42.62721718,
"energy_per_atom": -4.736357464444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.61521718,
"band_gap": 1.3815,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002558,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.271000Z",
"spacegroup": 69
},
{
"id": "mp-1039828",
"created_at": "2022-09-04T14:41:17.406104Z",
"structure_string": "Cs1 Rb1 Mg30 O31\n1.0\n8.693552 0.000000 0.000000\n0.000000 8.803352 0.000000\n0.000000 0.000000 8.902727\nCs Rb Mg O\n1 1 30 31\ndirect\n0.500000 0.500000 0.970068 Cs\n0.000000 0.000000 0.995062 Rb\n0.000000 0.500000 0.980717 Mg\n0.500000 0.000000 0.000261 Mg\n0.000000 0.000000 0.500526 Mg\n0.000000 0.500000 0.517241 Mg\n0.500000 0.000000 0.499560 Mg\n0.500000 0.500000 0.486262 Mg\n0.249413 0.250087 0.009701 Mg\n0.249413 0.749913 0.009701 Mg\n0.750587 0.250087 0.009701 Mg\n0.750587 0.749913 0.009701 Mg\n0.248624 0.244488 0.495457 Mg\n0.248624 0.755512 0.495457 Mg\n0.751376 0.244488 0.495457 Mg\n0.751376 0.755512 0.495457 Mg\n0.000000 0.227984 0.249953 Mg\n0.000000 0.772016 0.249953 Mg\n0.500000 0.239146 0.252443 Mg\n0.500000 0.760854 0.252443 Mg\n0.000000 0.250860 0.748817 Mg\n0.000000 0.749140 0.748817 Mg\n0.500000 0.243734 0.735109 Mg\n0.500000 0.756266 0.735109 Mg\n0.257639 0.000000 0.252467 Mg\n0.270843 0.500000 0.256490 Mg\n0.742361 0.000000 0.252467 Mg\n0.729157 0.500000 0.256490 Mg\n0.253978 0.000000 0.750094 Mg\n0.253807 0.500000 0.723331 Mg\n0.746022 0.000000 0.750094 Mg\n0.746193 0.500000 0.723331 Mg\n0.000000 0.000000 0.279280 O\n0.500000 0.000000 0.267701 O\n0.500000 0.500000 0.272905 O\n0.000000 0.000000 0.719124 O\n0.000000 0.500000 0.743766 O\n0.500000 0.000000 0.738159 O\n0.500000 0.500000 0.694791 O\n0.244166 0.247122 0.256536 O\n0.244166 0.752878 0.256536 O\n0.755834 0.247122 0.256536 O\n0.755834 0.752878 0.256536 O\n0.251596 0.257394 0.749588 O\n0.251596 0.742606 0.749588 O\n0.748404 0.257394 0.749588 O\n0.748404 0.742606 0.749588 O\n0.000000 0.276013 0.006332 O\n0.000000 0.723987 0.006332 O\n0.500000 0.220822 0.020881 O\n0.500000 0.779178 0.020881 O\n0.000000 0.260619 0.494915 O\n0.000000 0.739381 0.494915 O\n0.500000 0.245269 0.495531 O\n0.500000 0.754731 0.495531 O\n0.275393 0.000000 0.999566 O\n0.214915 0.500000 0.043207 O\n0.724607 0.000000 0.999566 O\n0.785085 0.500000 0.043207 O\n0.251444 0.000000 0.503010 O\n0.237128 0.500000 0.487581 O\n0.748556 0.000000 0.503010 O\n0.762872 0.500000 0.487581 O\n",
"nsites": 63,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Mg",
"O"
],
"chemical_system": "Cs-Mg-O-Rb",
"density": 3.5180248730778763,
"density_atomic": 0.09246389200231336,
"volume": 681.3470494885051,
"volume_molar": 6.512964822905499,
"formula_full": "Cs1 Rb1 Mg30 O31",
"formula_reduced": "CsRbMg30O31",
"formula_anonymous": "ABC30D31",
"energy": -376.2308592600001,
"energy_per_atom": -5.971918400952383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -354.93385926,
"band_gap": 1.4981999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.436000Z",
"spacegroup": 25
},
{
"id": "mp-1220256",
"created_at": "2022-09-04T14:41:19.769929Z",
"structure_string": "Nd6 Ge3 S14\n1.0\n5.137154 -8.897812 0.000000\n5.137154 8.897812 0.000000\n0.000000 0.000000 5.799219\nNd Ge S\n6 3 14\ndirect\n0.564790 0.024619 0.245146 Nd\n0.975381 0.540172 0.245146 Nd\n0.459828 0.435210 0.245146 Nd\n0.101745 0.308229 0.750593 Nd\n0.691771 0.793516 0.750593 Nd\n0.206484 0.898255 0.750593 Nd\n0.666667 0.333333 0.828232 Ge\n0.000000 0.000000 0.332180 Ge\n0.333333 0.666667 0.485002 Ge\n0.438908 0.185265 0.985228 S\n0.814735 0.253643 0.985228 S\n0.746357 0.561092 0.985228 S\n0.227669 0.147826 0.487812 S\n0.852174 0.079843 0.487812 S\n0.920157 0.772331 0.487812 S\n0.666667 0.333333 0.449483 S\n0.000000 0.000000 0.952335 S\n0.496887 0.922026 0.726429 S\n0.077974 0.574860 0.726429 S\n0.425140 0.503113 0.726429 S\n0.167141 0.410749 0.236709 S\n0.589251 0.756392 0.236709 S\n0.243608 0.832859 0.236709 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"S"
],
"chemical_system": "Ge-Nd-S",
"density": 4.799350651011509,
"density_atomic": 0.04338329363005443,
"volume": 530.1579957513047,
"volume_molar": 13.88124380632104,
"formula_full": "Nd6 Ge3 S14",
"formula_reduced": "Nd6Ge3S14",
"formula_anonymous": "A3B6C14",
"energy": -141.16692423,
"energy_per_atom": -6.137692357826087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.12492423,
"band_gap": 1.2778999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.446000Z",
"spacegroup": 143
},
{
"id": "mp-696659",
"created_at": "2022-09-04T14:41:17.411038Z",
"structure_string": "H16 N8 O12\n1.0\n5.943215 0.000000 0.000000\n0.000000 7.295046 0.000000\n0.000000 0.000000 7.756536\nH N O\n16 8 12\ndirect\n0.250000 0.795542 0.086600 H\n0.250000 0.704458 0.586600 H\n0.750000 0.204458 0.913400 H\n0.750000 0.295542 0.413400 H\n0.250000 0.565076 0.084854 H\n0.250000 0.934924 0.584854 H\n0.750000 0.434924 0.915146 H\n0.750000 0.065076 0.415146 H\n0.394013 0.683106 0.934487 H\n0.105987 0.816894 0.434487 H\n0.894013 0.316894 0.065513 H\n0.605987 0.183106 0.565513 H\n0.605987 0.316894 0.065513 H\n0.894013 0.183106 0.565513 H\n0.105987 0.683106 0.934487 H\n0.394013 0.816894 0.434487 H\n0.250000 0.680699 0.009097 N\n0.250000 0.819301 0.509097 N\n0.750000 0.319301 0.990903 N\n0.750000 0.180699 0.490903 N\n0.250000 0.126191 0.157745 N\n0.250000 0.373809 0.657745 N\n0.750000 0.873809 0.842255 N\n0.750000 0.626191 0.342255 N\n0.250000 0.271749 0.066582 O\n0.250000 0.228251 0.566582 O\n0.750000 0.728251 0.933418 O\n0.750000 0.771749 0.433418 O\n0.434558 0.052888 0.200987 O\n0.065442 0.447112 0.700987 O\n0.934558 0.947112 0.799013 O\n0.565442 0.552888 0.299013 O\n0.565442 0.947112 0.799013 O\n0.934558 0.552888 0.299013 O\n0.065442 0.052888 0.200987 O\n0.434558 0.447112 0.700987 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.5809462724246204,
"density_atomic": 0.1070496402305658,
"volume": 336.2925827911465,
"volume_molar": 5.625559083645105,
"formula_full": "H16 N8 O12",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy": -206.87939338,
"energy_per_atom": -5.746649816111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.63539338,
"band_gap": 3.3864,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002831,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.884000Z",
"spacegroup": 62
},
{
"id": "mp-766",
"created_at": "2022-09-04T14:41:28.002914Z",
"structure_string": "As4 Ru2\n1.0\n3.015214 0.000000 0.000000\n0.000000 5.492133 0.000000\n0.000000 0.000000 6.249864\nAs Ru\n4 2\ndirect\n0.500000 0.329079 0.865315 As\n0.500000 0.670921 0.134685 As\n0.000000 0.170921 0.365315 As\n0.000000 0.829079 0.634685 As\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"As",
"Ru"
],
"chemical_system": "As-Ru",
"density": 8.051426795883398,
"density_atomic": 0.057972428912151645,
"volume": 103.49747479257913,
"volume_molar": 10.38793935842439,
"formula_full": "As4 Ru2",
"formula_reduced": "As2Ru",
"formula_anonymous": "AB2",
"energy": -39.56802585,
"energy_per_atom": -6.594670975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.56802585,
"band_gap": 0.4492000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.545000Z",
"spacegroup": 58
}
]
}