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=-updated_at&page=154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=152",
"results": [
{
"id": "mp-1217733",
"created_at": "2022-09-04T14:48:25.583888Z",
"structure_string": "Tb2 Ga3 Co14\n1.0\n4.197894 2.423654 4.109970\n-4.197894 2.423654 4.109970\n0.000000 -4.847310 4.109970\nTb Ga Co\n2 3 14\ndirect\n0.659077 0.659077 0.659077 Tb\n0.333617 0.333617 0.333617 Tb\n0.154940 0.652812 0.652812 Ga\n0.652812 0.652812 0.154940 Ga\n0.652812 0.154940 0.652812 Ga\n0.907305 0.907305 0.907305 Co\n0.095593 0.095593 0.095593 Co\n0.004542 0.004542 0.495895 Co\n0.004542 0.495895 0.004542 Co\n0.495895 0.004542 0.004542 Co\n0.286986 0.714194 0.000945 Co\n0.714194 0.000945 0.286986 Co\n0.000945 0.286986 0.714194 Co\n0.286986 0.000945 0.714194 Co\n0.000945 0.714194 0.286986 Co\n0.714194 0.286986 0.000945 Co\n0.855020 0.339798 0.339798 Co\n0.339798 0.339798 0.855020 Co\n0.339798 0.855020 0.339798 Co\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tb",
"density": 8.948717520623243,
"density_atomic": 0.07572887252585257,
"volume": 250.89505978731847,
"volume_molar": 7.95223876856762,
"formula_full": "Tb2 Ga3 Co14",
"formula_reduced": "Tb2Ga3Co14",
"formula_anonymous": "A2B3C14",
"energy": -121.79647658,
"energy_per_atom": -6.410340872631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.79647658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.4374808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.307000Z",
"spacegroup": 160
},
{
"id": "mp-753614",
"created_at": "2022-09-04T14:48:21.503307Z",
"structure_string": "Fe1 P2 S6\n1.0\n5.084751 2.935438 0.000000\n-5.084751 2.935438 0.000000\n0.000000 0.018439 7.027742\nFe P S\n1 2 6\ndirect\n0.673669 0.326331 0.500000 Fe\n0.001165 0.001028 0.652579 P\n0.998972 0.998835 0.347421 P\n0.684076 0.045953 0.720737 S\n0.361033 0.046973 0.277881 S\n0.356304 0.315592 0.721577 S\n0.954047 0.315924 0.279263 S\n0.684408 0.643696 0.278423 S\n0.953027 0.638967 0.722119 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"P",
"S"
],
"chemical_system": "Fe-P-S",
"density": 2.4551499128548304,
"density_atomic": 0.04289968486587173,
"volume": 209.79175087507065,
"volume_molar": 14.037727267294763,
"formula_full": "Fe1 P2 S6",
"formula_reduced": "Fe(PS3)2",
"formula_anonymous": "AB2C6",
"energy": -48.62050703,
"energy_per_atom": -5.402278558888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.60250703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.287000Z",
"spacegroup": 5
},
{
"id": "mp-1216964",
"created_at": "2022-09-04T14:48:22.353655Z",
"structure_string": "Ti4 V4 Fe4\n1.0\n-2.486679 -4.311763 0.000000\n-4.986569 0.007491 0.000000\n0.000000 0.000000 -7.576973\nTi V Fe\n4 4 4\ndirect\n0.835117 0.330101 0.750000 Ti\n0.339694 0.823527 0.750000 Ti\n0.836392 0.823821 0.750000 Ti\n0.165337 0.668763 0.250000 Ti\n0.343124 0.313342 0.545735 V\n0.665053 0.669574 0.426152 V\n0.665053 0.669574 0.073848 V\n0.343124 0.313342 0.954265 V\n0.654819 0.180635 0.250000 Fe\n0.165220 0.180755 0.250000 Fe\n0.993533 0.013284 0.494958 Fe\n0.993533 0.013284 0.005042 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"V",
"Fe"
],
"chemical_system": "Fe-Ti-V",
"density": 6.299996259878765,
"density_atomic": 0.07359574327947546,
"volume": 163.05290856878383,
"volume_molar": 8.182729722738554,
"formula_full": "Ti4 V4 Fe4",
"formula_reduced": "TiVFe",
"formula_anonymous": "ABC",
"energy": -100.82568734,
"energy_per_atom": -8.402140611666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.82568734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1658885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.285000Z",
"spacegroup": 38
},
{
"id": "mp-743698",
"created_at": "2022-09-04T14:48:24.310619Z",
"structure_string": "Ca5 Dy3 Ti5 Mn3 O24\n1.0\n5.383365 0.000000 0.000000\n-0.035022 5.615926 0.000000\n-0.044784 -0.033111 15.272061\nCa Dy Ti Mn O\n5 3 5 3 24\ndirect\n0.012615 0.050861 0.623612 Ca\n0.012605 0.057906 0.128292 Ca\n0.490427 0.552967 0.623601 Ca\n0.510888 0.454697 0.872632 Ca\n0.991580 0.954355 0.872419 Ca\n0.485253 0.569217 0.129274 Dy\n0.517103 0.429322 0.373886 Dy\n0.979502 0.928619 0.374343 Dy\n0.992712 0.517412 0.001206 Ti\n0.011292 0.504227 0.747986 Ti\n0.007670 0.495685 0.500443 Ti\n0.513331 0.998934 0.748994 Ti\n0.506252 0.022894 0.001348 Ti\n0.002213 0.495410 0.250039 Mn\n0.496544 0.000331 0.250519 Mn\n0.493142 0.994228 0.499592 Mn\n0.078387 0.521081 0.876167 O\n0.109045 0.531663 0.374548 O\n0.185437 0.799144 0.520549 O\n0.209499 0.781548 0.026633 O\n0.202974 0.787332 0.728743 O\n0.211599 0.806902 0.225523 O\n0.303107 0.318182 0.226985 O\n0.285783 0.291762 0.729217 O\n0.295675 0.316735 0.520080 O\n0.305143 0.295731 0.027736 O\n0.416335 0.021909 0.876682 O\n0.390195 0.029836 0.377944 O\n0.591743 0.965938 0.122498 O\n0.580163 0.974130 0.624741 O\n0.706413 0.700507 0.980558 O\n0.705543 0.713917 0.771632 O\n0.712051 0.688310 0.466941 O\n0.707524 0.684448 0.275503 O\n0.784323 0.209438 0.771710 O\n0.789386 0.186497 0.280183 O\n0.796867 0.201820 0.978130 O\n0.801220 0.202556 0.470149 O\n0.912579 0.472853 0.625058 O\n0.895881 0.470695 0.123905 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ca",
"Dy",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Dy-Mn-O-Ti",
"density": 5.308476261812952,
"density_atomic": 0.08663375490331145,
"volume": 461.7137978683071,
"volume_molar": 6.951263703992834,
"formula_full": "Ca5 Dy3 Ti5 Mn3 O24",
"formula_reduced": "Ca5Dy3Ti5Mn3O24",
"formula_anonymous": "A3B3C5D5E24",
"energy": -343.56232850000004,
"energy_per_atom": -8.589058212500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.0703285000001,
"band_gap": 0.2355,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0008134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.253000Z",
"spacegroup": 1
},
{
"id": "mp-16487",
"created_at": "2022-09-04T14:48:20.754775Z",
"structure_string": "Ce1 Mn4 Al8\n1.0\n4.778994 0.000000 1.965216\n2.389497 6.255111 0.982608\n0.010561 0.000000 6.767682\nCe Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.340197 0.659803 0.659803 Al\n0.000000 0.340197 0.659803 Al\n0.000000 0.659803 0.340197 Al\n0.659803 0.340197 0.340197 Al\n0.274294 0.225706 0.225706 Al\n0.500000 0.774294 0.225706 Al\n0.500000 0.225706 0.774294 Al\n0.725706 0.774294 0.774294 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Al"
],
"chemical_system": "Al-Ce-Mn",
"density": 4.728551392402922,
"density_atomic": 0.06429995706541652,
"volume": 202.1774289331835,
"volume_molar": 9.365699504080984,
"formula_full": "Ce1 Mn4 Al8",
"formula_reduced": "Ce(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy": -76.84374422,
"energy_per_atom": -5.911057247692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.84374422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.2921846,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.245000Z",
"spacegroup": 139
},
{
"id": "mp-1221993",
"created_at": "2022-09-04T14:48:24.418793Z",
"structure_string": "Mg2 Zr2 Si4 O14\n1.0\n-3.272481 3.374600 4.671188\n3.272481 -3.374600 4.671188\n3.272481 3.374600 -4.671188\nMg Zr Si O\n2 2 4 14\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.925803 0.175803 0.750000 O\n0.324791 0.574791 0.750000 O\n0.934795 0.581480 0.760799 O\n0.320681 0.173995 0.739201 O\n0.934795 0.173995 0.353314 O\n0.320681 0.581481 0.146686 O\n0.074197 0.824197 0.250000 O\n0.675209 0.425209 0.250000 O\n0.065205 0.418520 0.239201 O\n0.679319 0.826005 0.260799 O\n0.065205 0.826005 0.646686 O\n0.679319 0.418519 0.853314 O\n0.623137 0.873137 0.750000 O\n0.376863 0.126863 0.250000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"Zr",
"Si",
"O"
],
"chemical_system": "Mg-O-Si-Zr",
"density": 4.566097971774482,
"density_atomic": 0.10661931967772156,
"volume": 206.3415904969141,
"volume_molar": 5.648264102794068,
"formula_full": "Mg2 Zr2 Si4 O14",
"formula_reduced": "MgZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy": -183.47566254999995,
"energy_per_atom": -8.339802843181817,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.85766255,
"band_gap": 2.763699999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.234000Z",
"spacegroup": 74
},
{
"id": "mp-1113920",
"created_at": "2022-09-04T14:48:24.100289Z",
"structure_string": "Na2 Li1 Ce1 Cl6\n1.0\n0.000000 5.247559 5.247559\n5.247559 0.000000 5.247559\n5.247559 5.247559 0.000000\nNa Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.740701 0.259299 0.259299 Cl\n0.259299 0.259299 0.740701 Cl\n0.259299 0.740701 0.740701 Cl\n0.259299 0.740701 0.259299 Cl\n0.740701 0.259299 0.740701 Cl\n0.740701 0.740701 0.259299 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-Li-Na",
"density": 2.3313662092765353,
"density_atomic": 0.034601745996604955,
"volume": 289.0027572880622,
"volume_molar": 17.404152844168266,
"formula_full": "Na2 Li1 Ce1 Cl6",
"formula_reduced": "Na2LiCeCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.55757381,
"energy_per_atom": -4.355757381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.87357381,
"band_gap": 0.4811000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0003111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.228000Z",
"spacegroup": 225
},
{
"id": "mp-1208270",
"created_at": "2022-09-04T14:48:21.294664Z",
"structure_string": "Th2 Cu1 P2 O1\n1.0\n3.408006 0.000000 0.000000\n0.000000 3.408006 0.000000\n0.000000 0.000000 14.153912\nTh Cu P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.650511 Th\n0.500000 0.500000 0.349489 Th\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.151984 P\n0.500000 0.500000 0.848016 P\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Th",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-Th",
"density": 6.116959025458536,
"density_atomic": 0.036498419447471495,
"volume": 164.39068022206268,
"volume_molar": 16.499730265490157,
"formula_full": "Th2 Cu1 P2 O1",
"formula_reduced": "Th2CuP2O",
"formula_anonymous": "ABC2D2",
"energy": -36.70157534,
"energy_per_atom": -6.116929223333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.01457534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.201000Z",
"spacegroup": 123
},
{
"id": "mp-1212995",
"created_at": "2022-09-04T14:48:24.631314Z",
"structure_string": "Dy6 Cu22 Si8\n1.0\n-4.212603 -7.296443 0.000000\n-4.212603 7.296443 0.000000\n0.000000 0.000000 -8.609236\nDy Cu Si\n6 22 8\ndirect\n0.802100 0.197900 0.750000 Dy\n0.197900 0.802100 0.250000 Dy\n0.395800 0.197900 0.750000 Dy\n0.604200 0.802100 0.250000 Dy\n0.802100 0.604200 0.750000 Dy\n0.197900 0.395800 0.250000 Dy\n0.847199 0.152801 0.410156 Cu\n0.152801 0.847199 0.589844 Cu\n0.305603 0.152801 0.410156 Cu\n0.152801 0.847199 0.910156 Cu\n0.694397 0.847199 0.589844 Cu\n0.847199 0.152801 0.089844 Cu\n0.847199 0.694397 0.410156 Cu\n0.694397 0.847199 0.910156 Cu\n0.152801 0.305603 0.589844 Cu\n0.305603 0.152801 0.089844 Cu\n0.152801 0.305603 0.910156 Cu\n0.847199 0.694397 0.089844 Cu\n0.434433 0.565567 0.750000 Cu\n0.565567 0.434433 0.250000 Cu\n0.131134 0.565567 0.750000 Cu\n0.868866 0.434433 0.250000 Cu\n0.434433 0.868866 0.750000 Cu\n0.565567 0.131134 0.250000 Cu\n0.666667 0.333333 0.007459 Cu\n0.333333 0.666667 0.992541 Cu\n0.333333 0.666667 0.507459 Cu\n0.666667 0.333333 0.492541 Cu\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Si"
],
"chemical_system": "Cu-Dy-Si",
"density": 8.150440617463937,
"density_atomic": 0.0680214938225506,
"volume": 529.2444781338398,
"volume_molar": 8.853290954929795,
"formula_full": "Dy6 Cu22 Si8",
"formula_reduced": "Dy3Cu11Si4",
"formula_anonymous": "A3B4C11",
"energy": -172.33688354999998,
"energy_per_atom": -4.787135654166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.90488355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.199000Z",
"spacegroup": 194
},
{
"id": "mp-1073268",
"created_at": "2022-09-04T14:48:24.851667Z",
"structure_string": "Mg4 Si8\n1.0\n3.756335 0.000000 0.000000\n0.000000 7.144978 0.000000\n0.000000 2.665824 9.337112\nMg Si\n4 8\ndirect\n0.000000 0.583237 0.127538 Mg\n0.000000 0.416763 0.872462 Mg\n0.500000 0.745966 0.646110 Mg\n0.500000 0.254034 0.353890 Mg\n0.000000 0.798117 0.852755 Si\n0.500000 0.018320 0.120583 Si\n0.000000 0.671697 0.442897 Si\n0.500000 0.296225 0.710090 Si\n0.000000 0.201883 0.147245 Si\n0.500000 0.981680 0.879417 Si\n0.000000 0.328303 0.557103 Si\n0.500000 0.703775 0.289910 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1330335662403432,
"density_atomic": 0.04788543809139335,
"volume": 250.5981041062421,
"volume_molar": 12.576142142641032,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.81220217,
"energy_per_atom": -3.9843501808333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.38020217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.183000Z",
"spacegroup": 10
},
{
"id": "mp-1095908",
"created_at": "2022-09-04T14:48:24.178546Z",
"structure_string": "Ca2 Cu1 Pd1\n1.0\n-5.413710 5.947556 8.405684\n5.413710 -5.947556 8.405684\n5.413710 5.947556 -8.405684\nCa Cu Pd\n2 1 1\ndirect\n0.000000 0.262346 0.262346 Ca\n0.000000 0.737654 0.737654 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"Pd"
],
"chemical_system": "Ca-Cu-Pd",
"density": 0.3836493014346153,
"density_atomic": 0.003694821081733465,
"volume": 1082.596399532114,
"volume_molar": 162.9886976062897,
"formula_full": "Ca2 Cu1 Pd1",
"formula_reduced": "Ca2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.89352326,
"energy_per_atom": -2.223380815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.89352326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.166000Z",
"spacegroup": 71
},
{
"id": "mp-862901",
"created_at": "2022-09-04T14:48:25.222456Z",
"structure_string": "Pm1 F3\n1.0\n-1.880399 1.880399 3.298737\n1.880399 -1.880399 3.298737\n1.880399 1.880399 -3.298737\nPm F\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750000 0.250000 0.500000 F\n0.250000 0.750000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"F"
],
"chemical_system": "F-Pm",
"density": 7.1892313819897256,
"density_atomic": 0.08573384178614328,
"volume": 46.65602190063643,
"volume_molar": 7.024228279681883,
"formula_full": "Pm1 F3",
"formula_reduced": "PmF3",
"formula_anonymous": "AB3",
"energy": -27.34821773,
"energy_per_atom": -6.8370544325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.96221773,
"band_gap": 4.9755,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.147000Z",
"spacegroup": 139
}
]
}