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=formula_anonymous&page=10376",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10374",
"results": [
{
"id": "mp-1225592",
"created_at": "2022-09-04T14:43:40.602512Z",
"structure_string": "Dy1 Ga3 Cu1\n1.0\n-2.039038 2.039038 5.387979\n2.039038 -2.039038 5.387979\n2.039038 2.039038 -5.387979\nDy Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.613284 0.613284 0.000000 Ga\n0.386716 0.386716 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Ga",
"Cu"
],
"chemical_system": "Cu-Dy-Ga",
"density": 8.065223893390773,
"density_atomic": 0.05579990759015566,
"volume": 89.605883162468,
"volume_molar": 10.792384826569926,
"formula_full": "Dy1 Ga3 Cu1",
"formula_reduced": "DyGa3Cu",
"formula_anonymous": "ABC3",
"energy": -20.076794,
"energy_per_atom": -4.0153588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.076794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.412000Z",
"spacegroup": 119
},
{
"id": "mp-754915",
"created_at": "2022-09-04T14:43:49.181491Z",
"structure_string": "Na2 Fe2 O6\n1.0\n2.540997 -4.401112 0.000014\n5.081823 -0.000098 -0.000004\n2.540878 1.466952 5.263614\nNa Fe O\n2 2 6\ndirect\n0.639198 0.721605 0.917590 Na\n0.360788 0.278419 0.082389 Na\n0.836348 0.327290 0.509074 Fe\n0.163650 0.672712 0.490918 Fe\n0.439252 0.739000 0.298499 O\n0.178254 0.859245 0.701512 O\n0.962503 0.476745 0.701507 O\n0.037503 0.523244 0.298503 O\n0.821749 0.140745 0.298497 O\n0.560752 0.260994 0.701512 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.5780754547836087,
"density_atomic": 0.08494508237241169,
"volume": 117.72311852213568,
"volume_molar": 7.089451904464642,
"formula_full": "Na2 Fe2 O6",
"formula_reduced": "NaFeO3",
"formula_anonymous": "ABC3",
"energy": -63.14208284,
"energy_per_atom": -6.314208284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.50808284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.362000Z",
"spacegroup": 148
},
{
"id": "mp-974337",
"created_at": "2022-09-04T14:43:21.870253Z",
"structure_string": "Ru1 Pb1 O3\n1.0\n4.000143 0.000000 0.000000\n0.000000 4.000143 0.000000\n0.000000 0.000000 4.000143\nRu Pb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ru",
"Pb",
"O"
],
"chemical_system": "O-Pb-Ru",
"density": 9.24271593776542,
"density_atomic": 0.07811662169280613,
"volume": 64.0068642453909,
"volume_molar": 7.709166921839104,
"formula_full": "Ru1 Pb1 O3",
"formula_reduced": "RuPbO3",
"formula_anonymous": "ABC3",
"energy": -34.35688419,
"energy_per_atom": -6.871376838000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.29588419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7783615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.861000Z",
"spacegroup": 221
},
{
"id": "mp-1183715",
"created_at": "2022-09-04T14:43:21.695570Z",
"structure_string": "Co1 Rh1 O3\n1.0\n3.893830 0.000000 0.000000\n0.000000 3.893830 0.000000\n0.000000 0.000000 3.893830\nCo Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Rh",
"O"
],
"chemical_system": "Co-O-Rh",
"density": 5.902010642739138,
"density_atomic": 0.08469134770097501,
"volume": 59.037908071244885,
"volume_molar": 7.110691851619537,
"formula_full": "Co1 Rh1 O3",
"formula_reduced": "CoRhO3",
"formula_anonymous": "ABC3",
"energy": -31.55769736,
"energy_per_atom": -6.311539472,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.85869736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2389291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.725000Z",
"spacegroup": 221
},
{
"id": "mp-976775",
"created_at": "2022-09-04T14:43:56.982061Z",
"structure_string": "Na1 Mg1 O3\n1.0\n4.017664 0.000000 0.000000\n0.000000 4.017664 0.000000\n0.000000 0.000000 4.017664\nNa Mg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.439996010571015,
"density_atomic": 0.07709907428427146,
"volume": 64.85162171421845,
"volume_molar": 7.81091188954592,
"formula_full": "Na1 Mg1 O3",
"formula_reduced": "NaMgO3",
"formula_anonymous": "ABC3",
"energy": -24.74841629,
"energy_per_atom": -4.949683258,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.68741629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.761000Z",
"spacegroup": 221
},
{
"id": "mp-755580",
"created_at": "2022-09-04T14:43:20.957642Z",
"structure_string": "V4 Ga4 O12\n1.0\n5.135831 -0.000029 0.000008\n-0.000047 7.875593 0.000030\n0.000008 0.000019 5.139276\nV Ga O\n4 4 12\ndirect\n0.000000 0.000001 0.499994 V\n0.999999 0.500001 0.500000 V\n0.500000 0.999998 0.000005 V\n0.499999 0.500001 0.999997 V\n0.011887 0.250002 0.015547 Ga\n0.488115 0.749991 0.515544 Ga\n0.511885 0.250008 0.484452 Ga\n0.988112 0.749996 0.984457 Ga\n0.122885 0.750003 0.628258 O\n0.169465 0.574781 0.157347 O\n0.169461 0.925222 0.157341 O\n0.330543 0.074784 0.657339 O\n0.330532 0.425223 0.657339 O\n0.377114 0.250002 0.128254 O\n0.622884 0.749997 0.871745 O\n0.669469 0.574779 0.342658 O\n0.669463 0.925215 0.342663 O\n0.830540 0.074778 0.842660 O\n0.830532 0.425216 0.842656 O\n0.877114 0.250000 0.371744 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Ga",
"O"
],
"chemical_system": "Ga-O-V",
"density": 5.389298103486119,
"density_atomic": 0.09621306841408994,
"volume": 207.87196926224522,
"volume_molar": 6.25917129477817,
"formula_full": "V4 Ga4 O12",
"formula_reduced": "VGaO3",
"formula_anonymous": "ABC3",
"energy": -154.01786265,
"energy_per_atom": -7.700893132500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.97386265,
"band_gap": 1.4157000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.000609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.333000Z",
"spacegroup": 62
},
{
"id": "mp-768479",
"created_at": "2022-09-04T14:43:39.926422Z",
"structure_string": "Y2 Sc2 O6\n1.0\n1.795295 -3.109542 0.000000\n1.795295 3.109542 0.000000\n0.000000 0.000000 12.444239\nY Sc O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.250000 Sc\n0.666667 0.333333 0.750000 Sc\n0.333333 0.666667 0.083093 O\n0.333333 0.666667 0.416907 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.916907 O\n0.666667 0.333333 0.583093 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Sc",
"O"
],
"chemical_system": "O-Sc-Y",
"density": 4.3469595761602715,
"density_atomic": 0.07197296801017053,
"volume": 138.94105351591026,
"volume_molar": 8.367225816155045,
"formula_full": "Y2 Sc2 O6",
"formula_reduced": "YScO3",
"formula_anonymous": "ABC3",
"energy": -94.67514688,
"energy_per_atom": -9.467514688,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.55314688,
"band_gap": 2.8464000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.428000Z",
"spacegroup": 194
},
{
"id": "mp-1016825",
"created_at": "2022-09-04T14:43:49.283585Z",
"structure_string": "Hf1 Mg1 O3\n1.0\n4.072456 0.000000 0.000000\n0.000000 4.072456 0.000000\n0.000000 0.000000 4.072456\nHf Mg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-Mg-O",
"density": 6.165888288342769,
"density_atomic": 0.07402881576467701,
"volume": 67.541266847953,
"volume_molar": 8.13486032134189,
"formula_full": "Hf1 Mg1 O3",
"formula_reduced": "HfMgO3",
"formula_anonymous": "ABC3",
"energy": -41.62007119,
"energy_per_atom": -8.324014238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.55907119,
"band_gap": 1.2771999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.605000Z",
"spacegroup": 221
},
{
"id": "mp-1178612",
"created_at": "2022-09-04T14:43:24.826910Z",
"structure_string": "Zn4 Si4 O12\n1.0\n-2.761920 4.738859 5.191699\n2.761920 -4.738859 5.191699\n2.761920 4.738859 -5.191699\nZn Si O\n4 4 12\ndirect\n0.290828 0.540828 0.250000 Zn\n0.709172 0.959172 0.250000 Zn\n0.709172 0.459172 0.750000 Zn\n0.290828 0.040828 0.750000 Zn\n0.138684 0.419071 0.719614 Si\n0.861316 0.580929 0.280386 Si\n0.699457 0.919071 0.780386 Si\n0.300543 0.080929 0.219614 Si\n0.187101 0.250000 0.437101 O\n0.812899 0.250000 0.062899 O\n0.812899 0.750000 0.562899 O\n0.187101 0.750000 0.937101 O\n0.318942 0.205156 0.113786 O\n0.681058 0.794844 0.886214 O\n0.091370 0.705156 0.386214 O\n0.908630 0.294844 0.613786 O\n0.508090 0.121599 0.386491 O\n0.491910 0.878401 0.613509 O\n0.735108 0.621599 0.113509 O\n0.264892 0.378401 0.886491 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 3.4577114196668006,
"density_atomic": 0.07358268265390663,
"volume": 271.8030829899101,
"volume_molar": 8.184182123836,
"formula_full": "Zn4 Si4 O12",
"formula_reduced": "ZnSiO3",
"formula_anonymous": "ABC3",
"energy": -139.24517337,
"energy_per_atom": -6.9622586685000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.00117337,
"band_gap": 3.5718,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.057000Z",
"spacegroup": 72
},
{
"id": "mp-1383064",
"created_at": "2022-09-04T14:43:24.382794Z",
"structure_string": "Al1 Cr1 O3\n1.0\n3.826701 0.000000 0.000000\n0.000000 3.826701 0.000000\n0.000000 0.000000 3.726416\nAl Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Cr",
"O"
],
"chemical_system": "Al-Cr-O",
"density": 3.863934818304003,
"density_atomic": 0.09162829569740309,
"volume": 54.568296419178175,
"volume_molar": 6.572359241393898,
"formula_full": "Al1 Cr1 O3",
"formula_reduced": "AlCrO3",
"formula_anonymous": "ABC3",
"energy": -36.01156387,
"energy_per_atom": -7.202312774000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.95156387,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7888378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.189000Z",
"spacegroup": 123
},
{
"id": "mp-1094072",
"created_at": "2022-09-04T14:43:34.031182Z",
"structure_string": "Pr3 Al1 N1\n1.0\n5.048162 0.000000 0.000000\n0.000000 5.048162 0.000000\n0.000000 0.000000 5.048162\nPr Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Al",
"N"
],
"chemical_system": "Al-N-Pr",
"density": 5.985450206849732,
"density_atomic": 0.03886602755790899,
"volume": 128.64705538918736,
"volume_molar": 15.494613518264057,
"formula_full": "Pr3 Al1 N1",
"formula_reduced": "Pr3AlN",
"formula_anonymous": "ABC3",
"energy": -30.35252094,
"energy_per_atom": -6.070504188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.99152094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011412,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.026000Z",
"spacegroup": 221
},
{
"id": "mp-761897",
"created_at": "2022-09-04T14:43:33.467623Z",
"structure_string": "Li6 Cu6 F18\n1.0\n2.528453 -4.379410 0.000000\n2.528453 4.379410 0.000000\n0.000000 0.000000 14.611702\nLi Cu F\n6 6 18\ndirect\n0.117096 0.058548 0.583333 Li\n0.941452 0.882904 0.250000 Li\n0.058548 0.941452 0.416667 Li\n0.941452 0.058548 0.916667 Li\n0.058548 0.117096 0.750000 Li\n0.882904 0.941452 0.083333 Li\n0.572156 0.286078 0.083333 Cu\n0.713922 0.427844 0.750000 Cu\n0.713922 0.286078 0.416667 Cu\n0.286078 0.713922 0.916667 Cu\n0.286078 0.572156 0.250000 Cu\n0.427844 0.713922 0.583333 Cu\n0.240928 0.240928 0.166667 F\n0.408467 0.298912 0.490351 F\n0.408467 0.109554 0.676315 F\n0.759072 0.759072 0.666667 F\n0.701088 0.591533 0.342982 F\n0.890446 0.591533 0.157018 F\n0.000000 0.759072 0.833333 F\n0.701088 0.109554 0.823685 F\n0.240928 0.000000 0.000000 F\n0.890446 0.298912 0.009649 F\n0.109554 0.701088 0.509649 F\n0.759072 0.000000 0.500000 F\n0.298912 0.890446 0.323685 F\n0.000000 0.240928 0.333333 F\n0.109554 0.408467 0.657018 F\n0.298912 0.408467 0.842982 F\n0.591533 0.890446 0.176315 F\n0.591533 0.701088 0.990351 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.925081124303655,
"density_atomic": 0.09270858697582635,
"volume": 323.59462028929926,
"volume_molar": 6.495774508536374,
"formula_full": "Li6 Cu6 F18",
"formula_reduced": "LiCuF3",
"formula_anonymous": "ABC3",
"energy": -139.83772379,
"energy_per_atom": -4.661257459666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.52172379,
"band_gap": 0.3340999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0015743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.399000Z",
"spacegroup": 178
}
]
}