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=nelements&page=106",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=104",
"results": [
{
"id": "mp-30641",
"created_at": "2022-09-04T14:39:19.081112Z",
"structure_string": "Y6 Fe23\n1.0\n0.000000 6.021986 6.021986\n6.021986 0.000000 6.021986\n6.021986 6.021986 0.000000\nY Fe\n6 23\ndirect\n0.209161 0.209161 0.790839 Y\n0.209161 0.790839 0.790839 Y\n0.790839 0.209161 0.209161 Y\n0.209161 0.790839 0.209161 Y\n0.790839 0.209161 0.790839 Y\n0.790839 0.790839 0.209161 Y\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.621927 0.134220 0.621927 Fe\n0.378073 0.378073 0.865780 Fe\n0.865780 0.378073 0.378073 Fe\n0.378073 0.378073 0.378073 Fe\n0.134220 0.621927 0.621927 Fe\n0.621927 0.621927 0.621927 Fe\n0.621927 0.621927 0.134220 Fe\n0.378073 0.865780 0.378073 Fe\n0.823966 0.528101 0.823966 Fe\n0.176034 0.176034 0.471899 Fe\n0.471899 0.176034 0.176034 Fe\n0.176034 0.176034 0.176034 Fe\n0.528101 0.823966 0.823966 Fe\n0.823966 0.823966 0.823966 Fe\n0.823966 0.823966 0.528101 Fe\n0.176034 0.471899 0.176034 Fe\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Y",
"Fe"
],
"chemical_system": "Fe-Y",
"density": 6.911347405313405,
"density_atomic": 0.06639704899611926,
"volume": 436.7663990864259,
"volume_molar": 9.069892188057905,
"formula_full": "Y6 Fe23",
"formula_reduced": "Y6Fe23",
"formula_anonymous": "A6B23",
"energy": -234.81542365,
"energy_per_atom": -8.097083574137931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.81542365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 51.1135869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.893000Z",
"spacegroup": 225
},
{
"id": "mp-1039383",
"created_at": "2022-09-04T14:40:16.051200Z",
"structure_string": "Ca2 Mg6\n1.0\n3.404289 -5.896402 0.000000\n3.404289 5.896402 0.000000\n0.000000 0.000000 5.381504\nCa Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n0.839550 0.160450 0.250000 Mg\n0.839550 0.679099 0.250000 Mg\n0.320901 0.160450 0.250000 Mg\n0.679099 0.839550 0.750000 Mg\n0.160450 0.839550 0.750000 Mg\n0.160450 0.320901 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7369345868276536,
"density_atomic": 0.03702907109786746,
"volume": 216.04646735145153,
"volume_molar": 16.26327796363982,
"formula_full": "Ca2 Mg6",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy": -14.04446189,
"energy_per_atom": -1.75555773625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.04446189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.271000Z",
"spacegroup": 194
},
{
"id": "mp-1017519",
"created_at": "2022-09-04T14:39:15.027933Z",
"structure_string": "Ir1 C1\n1.0\n2.730070 0.000000 0.000000\n0.000000 2.730070 0.000000\n0.000000 0.000000 2.730070\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 16.666422834774416,
"density_atomic": 0.09828984443478982,
"volume": 20.347982149131344,
"volume_molar": 6.126920634201814,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy": -14.73315976,
"energy_per_atom": -7.36657988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73315976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.776000Z",
"spacegroup": 221
},
{
"id": "mp-1226523",
"created_at": "2022-09-04T14:39:20.169008Z",
"structure_string": "Ce1 Th1\n1.0\n5.735008 -1.724538 0.000000\n5.735008 1.724538 0.000000\n5.216433 0.000000 2.941627\nCe Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Th"
],
"chemical_system": "Ce-Th",
"density": 10.62056114196607,
"density_atomic": 0.034372063101613726,
"volume": 58.186789489109906,
"volume_molar": 17.520451833795416,
"formula_full": "Ce1 Th1",
"formula_reduced": "CeTh",
"formula_anonymous": "AB",
"energy": -13.33189994,
"energy_per_atom": -6.66594997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.33189994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.580000Z",
"spacegroup": 166
},
{
"id": "mp-22626",
"created_at": "2022-09-04T14:39:32.973297Z",
"structure_string": "Os4 F24\n1.0\n5.160770 0.000000 0.000000\n0.000000 8.903176 0.000000\n0.000000 0.000000 9.779930\nOs F\n4 24\ndirect\n0.590787 0.750000 0.126976 Os\n0.090787 0.250000 0.373024 Os\n0.409213 0.250000 0.873024 Os\n0.909213 0.750000 0.626976 Os\n0.256714 0.101612 0.981848 F\n0.756714 0.898388 0.518152 F\n0.743286 0.601612 0.018152 F\n0.243286 0.398388 0.481848 F\n0.617365 0.750000 0.740577 F\n0.117365 0.250000 0.759423 F\n0.382635 0.250000 0.259423 F\n0.882635 0.750000 0.240577 F\n0.061045 0.601525 0.735738 F\n0.561045 0.398475 0.764262 F\n0.938955 0.101525 0.264262 F\n0.438955 0.898475 0.235738 F\n0.938955 0.398475 0.264262 F\n0.438955 0.601525 0.235738 F\n0.061045 0.898475 0.735738 F\n0.561045 0.101525 0.764262 F\n0.200467 0.750000 0.513245 F\n0.700467 0.250000 0.986755 F\n0.799533 0.250000 0.486755 F\n0.299533 0.750000 0.013245 F\n0.756714 0.601612 0.518152 F\n0.256714 0.398388 0.981848 F\n0.243286 0.101612 0.481848 F\n0.743286 0.898388 0.018152 F\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Os",
"F"
],
"chemical_system": "F-Os",
"density": 4.496786204188197,
"density_atomic": 0.062310727527339016,
"volume": 449.36082615493325,
"volume_molar": 9.664693382624634,
"formula_full": "Os4 F24",
"formula_reduced": "OsF6",
"formula_anonymous": "AB6",
"energy": -148.89626784,
"energy_per_atom": -5.317723851428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.80826784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.137000Z",
"spacegroup": 62
},
{
"id": "mp-1692",
"created_at": "2022-09-04T14:40:16.155199Z",
"structure_string": "Cu2 O2\n1.0\n2.933110 0.000000 0.000000\n0.000000 2.933110 0.000000\n0.000000 0.000000 5.133987\nCu O\n2 2\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.750000 O\n0.500000 0.500000 0.250000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.981122501077556,
"density_atomic": 0.09056252559353463,
"volume": 44.168379512215864,
"volume_molar": 6.649704964091603,
"formula_full": "Cu2 O2",
"formula_reduced": "CuO",
"formula_anonymous": "AB",
"energy": -21.86551512,
"energy_per_atom": -5.46637878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.49151512,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.911000Z",
"spacegroup": 131
},
{
"id": "mp-1216300",
"created_at": "2022-09-04T14:39:15.350212Z",
"structure_string": "Zr20 Sn13\n1.0\n0.000426 0.000737 -5.911535\n-4.303590 -7.454036 0.001237\n-12.938378 7.469976 0.000000\nZr Sn\n20 13\ndirect\n0.500000 0.999998 0.334026 Zr\n0.500006 0.499998 0.833308 Zr\n0.500006 0.499998 0.166692 Zr\n0.500000 0.999998 0.665974 Zr\n0.999997 0.499999 0.166535 Zr\n0.999998 0.999996 0.665828 Zr\n0.999998 0.999996 0.334172 Zr\n0.999997 0.499999 0.833465 Zr\n0.769966 0.269066 0.000000 Zr\n0.752781 0.749649 0.500000 Zr\n0.750755 0.374140 0.377893 Zr\n0.769420 0.865206 0.862922 Zr\n0.769420 0.865206 0.137078 Zr\n0.750755 0.374140 0.622107 Zr\n0.230046 0.730953 0.000000 Zr\n0.247201 0.250350 0.500000 Zr\n0.230610 0.134785 0.137068 Zr\n0.249247 0.625855 0.622108 Zr\n0.249247 0.625855 0.377892 Zr\n0.230610 0.134785 0.862932 Zr\n0.741684 0.615031 0.000000 Sn\n0.748036 0.107649 0.500000 Sn\n0.741281 0.196508 0.197836 Sn\n0.750372 0.690794 0.691579 Sn\n0.750372 0.690794 0.308421 Sn\n0.741281 0.196508 0.802164 Sn\n0.258329 0.384977 0.000000 Sn\n0.251891 0.892358 0.500000 Sn\n0.249634 0.309206 0.308417 Sn\n0.258717 0.803497 0.802171 Sn\n0.258717 0.803497 0.197829 Sn\n0.249634 0.309206 0.691583 Sn\n0.499989 0.999998 0.000000 Sn\n",
"nsites": 33,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.356537661505509,
"density_atomic": 0.043411382676404146,
"volume": 760.1692912199464,
"volume_molar": 13.872262039866513,
"formula_full": "Zr20 Sn13",
"formula_reduced": "Zr20Sn13",
"formula_anonymous": "A13B20",
"energy": -241.73109756,
"energy_per_atom": -7.325184774545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.73109756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.970000Z",
"spacegroup": 10
},
{
"id": "mp-2080",
"created_at": "2022-09-04T14:40:16.232095Z",
"structure_string": "Sr2 Be26\n1.0\n0.000000 5.195941 5.195941\n5.195941 0.000000 5.195941\n5.195941 5.195941 0.000000\nSr Be\n2 26\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.565240 0.786100 0.434760 Be\n0.286100 0.065240 0.934760 Be\n0.065240 0.286100 0.713900 Be\n0.713900 0.065240 0.286100 Be\n0.286100 0.934760 0.713900 Be\n0.065240 0.934760 0.286100 Be\n0.713900 0.286100 0.934760 Be\n0.434760 0.565240 0.786100 Be\n0.786100 0.434760 0.565240 Be\n0.565240 0.213900 0.786100 Be\n0.565240 0.434760 0.213900 Be\n0.786100 0.213900 0.434760 Be\n0.213900 0.565240 0.434760 Be\n0.213900 0.786100 0.565240 Be\n0.434760 0.786100 0.213900 Be\n0.934760 0.286100 0.065240 Be\n0.934760 0.713900 0.286100 Be\n0.286100 0.713900 0.065240 Be\n0.934760 0.065240 0.713900 Be\n0.713900 0.934760 0.065240 Be\n0.065240 0.713900 0.934760 Be\n0.786100 0.565240 0.213900 Be\n0.434760 0.213900 0.565240 Be\n0.213900 0.434760 0.786100 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Sr",
"Be"
],
"chemical_system": "Be-Sr",
"density": 2.424044218076195,
"density_atomic": 0.09980111713885442,
"volume": 280.5579817412593,
"volume_molar": 6.034141633526334,
"formula_full": "Sr2 Be26",
"formula_reduced": "SrBe13",
"formula_anonymous": "AB13",
"energy": -102.02459509,
"energy_per_atom": -3.6437355389285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.02459509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.858000Z",
"spacegroup": 226
},
{
"id": "mp-1387939",
"created_at": "2022-09-04T14:40:06.490289Z",
"structure_string": "Cr2 F8\n1.0\n-2.752413 2.752413 5.123325\n2.752413 -2.752413 5.123325\n2.752413 2.752413 -5.123325\nCr F\n2 8\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.444987 0.944987 0.160297 F\n0.215310 0.715310 0.160297 F\n0.555013 0.055013 0.839703 F\n0.055013 0.215310 0.500000 F\n0.784690 0.284690 0.839703 F\n0.284690 0.444987 0.500000 F\n0.944987 0.784690 0.500000 F\n0.707904 0.543026 0.500000 F\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Cr",
"F"
],
"chemical_system": "Cr-F",
"density": 2.7378840968189624,
"density_atomic": 0.06441112750628476,
"volume": 155.25267740460333,
"volume_molar": 9.349534766973926,
"formula_full": "Cr2 F8",
"formula_reduced": "CrF4",
"formula_anonymous": "AB4",
"energy": -55.87554519,
"energy_per_atom": -5.587554518999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.18154519,
"band_gap": 0.3321999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.827000Z",
"spacegroup": 8
},
{
"id": "mp-23225",
"created_at": "2022-09-04T14:40:16.293862Z",
"structure_string": "B2 Br6\n1.0\n3.500060 -6.062282 0.000000\n3.500060 6.062282 0.000000\n0.000000 0.000000 8.243618\nB Br\n2 6\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.070170 0.384909 0.250000 Br\n0.685261 0.070170 0.750000 Br\n0.384909 0.314739 0.750000 Br\n0.615091 0.685261 0.250000 Br\n0.314739 0.929830 0.250000 Br\n0.929830 0.615091 0.750000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 2.3783031898137827,
"density_atomic": 0.022868122422236903,
"volume": 349.8319561303739,
"volume_molar": 26.334216027040707,
"formula_full": "B2 Br6",
"formula_reduced": "BBr3",
"formula_anonymous": "AB3",
"energy": -30.60052216,
"energy_per_atom": -3.82506527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.39652216,
"band_gap": 3.8273,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.394000Z",
"spacegroup": 176
},
{
"id": "mp-1183315",
"created_at": "2022-09-04T14:40:08.585192Z",
"structure_string": "Ba3 Yb1\n1.0\n6.191065 0.000000 0.000000\n0.000000 6.191065 0.000000\n0.000000 0.000000 6.191065\nBa Yb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Yb"
],
"chemical_system": "Ba-Yb",
"density": 4.0937796446258226,
"density_atomic": 0.016856363972492707,
"volume": 237.29910000326618,
"volume_molar": 35.726214561024634,
"formula_full": "Ba3 Yb1",
"formula_reduced": "Ba3Yb",
"formula_anonymous": "AB3",
"energy": -7.1274285,
"energy_per_atom": -1.781857125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.1274285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.022000Z",
"spacegroup": 221
},
{
"id": "mp-1102182",
"created_at": "2022-09-04T14:39:23.818312Z",
"structure_string": "Lu4 Mn8\n1.0\n-2.497336 -4.315249 0.000000\n-2.497336 4.315249 0.000000\n0.000000 0.000000 -8.441600\nLu Mn\n4 8\ndirect\n0.666627 0.333373 0.064094 Lu\n0.333373 0.666627 0.935906 Lu\n0.333373 0.666627 0.564094 Lu\n0.666627 0.333373 0.435906 Lu\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.169196 0.342030 0.250000 Mn\n0.170710 0.829290 0.250000 Mn\n0.657970 0.830804 0.250000 Mn\n0.830804 0.657970 0.750000 Mn\n0.829290 0.170710 0.750000 Mn\n0.342030 0.169196 0.750000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Lu",
"Mn"
],
"chemical_system": "Lu-Mn",
"density": 10.398655095143257,
"density_atomic": 0.06595438006161719,
"volume": 181.94394350745358,
"volume_molar": 9.130766985261447,
"formula_full": "Lu4 Mn8",
"formula_reduced": "LuMn2",
"formula_anonymous": "AB2",
"energy": -91.3236623,
"energy_per_atom": -7.610305191666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.3236623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9392468,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.015000Z",
"spacegroup": 194
}
]
}