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=-total_magnetization&page=10263",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10261",
"results": [
{
"id": "mp-1187515",
"created_at": "2022-09-04T14:42:20.903609Z",
"structure_string": "Yb1 Sn1 O3\n1.0\n4.031675 0.000000 0.000000\n0.000000 4.031675 0.000000\n0.000000 0.000000 4.031675\nYb Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sn\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": [
"Yb",
"Sn",
"O"
],
"chemical_system": "O-Sn-Yb",
"density": 8.608940673960896,
"density_atomic": 0.07629805330977184,
"volume": 65.53247144720568,
"volume_molar": 7.8929153481150705,
"formula_full": "Yb1 Sn1 O3",
"formula_reduced": "YbSnO3",
"formula_anonymous": "ABC3",
"energy": -33.34572089,
"energy_per_atom": -6.669144178000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.28472089,
"band_gap": 1.7074999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.404000Z",
"spacegroup": 221
},
{
"id": "mp-8298",
"created_at": "2022-09-04T14:47:02.566469Z",
"structure_string": "Sr4 P2 O1\n1.0\n-2.417519 2.417519 8.023919\n2.417519 -2.417519 8.023919\n2.417519 2.417519 -8.023919\nSr P O\n4 2 1\ndirect\n0.675929 0.675929 0.000000 Sr\n0.324071 0.324071 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.864843 0.864843 0.000000 P\n0.135157 0.135157 0.000000 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"P",
"O"
],
"chemical_system": "O-P-Sr",
"density": 3.792621772957955,
"density_atomic": 0.03731742947569872,
"volume": 187.57990832563726,
"volume_molar": 16.13760873835548,
"formula_full": "Sr4 P2 O1",
"formula_reduced": "Sr4P2O",
"formula_anonymous": "AB2C4",
"energy": -33.98256387,
"energy_per_atom": -4.854651981428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.29556387,
"band_gap": 1.2134,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.563000Z",
"spacegroup": 139
},
{
"id": "mp-1224443",
"created_at": "2022-09-04T14:46:36.992368Z",
"structure_string": "K6 Er8 Cu10 Te20\n1.0\n4.328846 0.000000 0.000000\n0.000000 16.550669 0.000000\n0.000000 0.000000 17.668360\nK Er Cu Te\n6 8 10 20\ndirect\n0.500000 0.079994 0.335968 K\n0.500000 0.421174 0.662142 K\n0.000000 0.578826 0.162142 K\n0.000000 0.920006 0.835968 K\n0.500000 0.249648 0.498923 K\n0.000000 0.750352 0.998923 K\n0.500000 0.536198 0.447718 Er\n0.500000 0.959053 0.554567 Er\n0.000000 0.040947 0.054567 Er\n0.000000 0.463802 0.947718 Er\n0.500000 0.314826 0.214055 Er\n0.500000 0.182298 0.786073 Er\n0.000000 0.817702 0.286073 Er\n0.000000 0.685174 0.714055 Er\n0.500000 0.591903 0.845567 Cu\n0.500000 0.910478 0.154542 Cu\n0.000000 0.089522 0.654542 Cu\n0.000000 0.408097 0.345567 Cu\n0.500000 0.312362 0.042618 Cu\n0.500000 0.185315 0.959162 Cu\n0.000000 0.814685 0.459162 Cu\n0.000000 0.687638 0.542618 Cu\n0.500000 0.656363 0.309141 Cu\n0.000000 0.343637 0.809141 Cu\n0.500000 0.577318 0.994952 Te\n0.500000 0.922408 0.006191 Te\n0.000000 0.077592 0.506191 Te\n0.000000 0.422682 0.494952 Te\n0.500000 0.880703 0.397385 Te\n0.500000 0.619007 0.600879 Te\n0.000000 0.380993 0.100879 Te\n0.000000 0.119297 0.897385 Te\n0.500000 0.482013 0.286233 Te\n0.500000 0.021714 0.713875 Te\n0.000000 0.978286 0.213875 Te\n0.000000 0.517987 0.786233 Te\n0.500000 0.334543 0.894383 Te\n0.500000 0.163349 0.105416 Te\n0.000000 0.836651 0.605416 Te\n0.000000 0.665457 0.394383 Te\n0.500000 0.746117 0.185742 Te\n0.500000 0.748342 0.814568 Te\n0.000000 0.251658 0.314568 Te\n0.000000 0.253883 0.685742 Te\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Er",
"Cu",
"Te"
],
"chemical_system": "Cu-Er-K-Te",
"density": 6.244292437983979,
"density_atomic": 0.034759117990007776,
"volume": 1265.854904967632,
"volume_molar": 17.325355498753414,
"formula_full": "K6 Er8 Cu10 Te20",
"formula_reduced": "K3Er4(CuTe2)5",
"formula_anonymous": "A3B4C5D10",
"energy": -195.95202417,
"energy_per_atom": -4.453455094772727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.51202417,
"band_gap": 0.4859999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.693000Z",
"spacegroup": 31
},
{
"id": "mp-1018726",
"created_at": "2022-09-04T14:47:21.285836Z",
"structure_string": "Hf2 V2 Ge2\n1.0\n3.692903 0.000000 0.000000\n0.000000 3.692903 0.000000\n0.000000 0.000000 7.298902\nHf V Ge\n2 2 2\ndirect\n0.000000 0.500000 0.362546 Hf\n0.500000 0.000000 0.637454 Hf\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.750633 Ge\n0.500000 0.000000 0.249367 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"V",
"Ge"
],
"chemical_system": "Ge-Hf-V",
"density": 10.07849099269504,
"density_atomic": 0.06027787271627039,
"volume": 99.53901373132668,
"volume_molar": 9.990632530027035,
"formula_full": "Hf2 V2 Ge2",
"formula_reduced": "HfVGe",
"formula_anonymous": "ABC",
"energy": -51.0424708,
"energy_per_atom": -8.507078466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.0424708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.314000Z",
"spacegroup": 129
},
{
"id": "mp-4551",
"created_at": "2022-09-04T14:41:52.788492Z",
"structure_string": "Sr1 Hf1 O3\n1.0\n4.141206 0.000000 0.000000\n0.000000 4.141206 0.000000\n0.000000 0.000000 4.141206\nSr Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.34425703345636,
"density_atomic": 0.07040273009169855,
"volume": 71.01997313864919,
"volume_molar": 8.55384550024729,
"formula_full": "Sr1 Hf1 O3",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy": -45.39053625999999,
"energy_per_atom": -9.078107251999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.32953626,
"band_gap": 3.7226,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.746000Z",
"spacegroup": 221
},
{
"id": "mp-12734",
"created_at": "2022-09-04T14:40:41.988321Z",
"structure_string": "Nd1 Al3 Pd2\n1.0\n2.746866 -4.757712 0.000000\n2.746866 4.757712 0.000000\n0.000000 0.000000 4.228675\nNd Al Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Al",
"Pd"
],
"chemical_system": "Al-Nd-Pd",
"density": 6.580814830789133,
"density_atomic": 0.05428518516093774,
"volume": 110.52739310388223,
"volume_molar": 11.093525318457203,
"formula_full": "Nd1 Al3 Pd2",
"formula_reduced": "NdAl3Pd2",
"formula_anonymous": "AB2C3",
"energy": -31.46982452,
"energy_per_atom": -5.244970753333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.46982452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.847000Z",
"spacegroup": 191
},
{
"id": "mp-1214102",
"created_at": "2022-09-04T14:42:57.625170Z",
"structure_string": "C4 S4 N8\n1.0\n10.690137 0.000000 0.000000\n0.000000 3.947900 0.000000\n0.000000 1.946077 6.246726\nC S N\n4 4 8\ndirect\n0.449734 0.883636 0.554032 C\n0.550266 0.116364 0.445968 C\n0.949734 0.116364 0.945968 C\n0.050266 0.883636 0.054032 C\n0.115943 0.172545 0.700941 S\n0.884057 0.827455 0.299059 S\n0.615943 0.827455 0.799059 S\n0.384057 0.172545 0.200941 S\n0.475539 0.701059 0.758735 N\n0.524461 0.298941 0.241265 N\n0.975539 0.298941 0.741265 N\n0.024461 0.701059 0.258735 N\n0.151666 0.891186 0.929806 N\n0.848334 0.108814 0.070194 N\n0.651666 0.108814 0.570194 N\n0.348334 0.891186 0.429806 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 1.8162549921388533,
"density_atomic": 0.06069013608155863,
"volume": 263.63427457961785,
"volume_molar": 9.92276694174343,
"formula_full": "C4 S4 N8",
"formula_reduced": "CSN2",
"formula_anonymous": "ABC2",
"energy": -117.43528021,
"energy_per_atom": -7.339705013125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.54728021,
"band_gap": 2.4742,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.864000Z",
"spacegroup": 14
},
{
"id": "mp-864601",
"created_at": "2022-09-04T14:43:12.345570Z",
"structure_string": "Li1 Mg2 Rh1\n1.0\n0.000000 3.195428 3.195428\n3.195428 0.000000 3.195428\n3.195428 3.195428 0.000000\nLi Mg Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Rh"
],
"chemical_system": "Li-Mg-Rh",
"density": 4.0321998729332,
"density_atomic": 0.06129751752853141,
"volume": 65.2554974699941,
"volume_molar": 9.824444778203208,
"formula_full": "Li1 Mg2 Rh1",
"formula_reduced": "LiMg2Rh",
"formula_anonymous": "ABC2",
"energy": -13.9921355,
"energy_per_atom": -3.498033875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.9921355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.577000Z",
"spacegroup": 225
},
{
"id": "mp-722902",
"created_at": "2022-09-04T14:41:04.238601Z",
"structure_string": "Li4 H8 N4 O12\n1.0\n14.455976 0.000000 0.000000\n0.000000 3.475636 0.000000\n0.000000 1.890008 6.203549\nLi H N O\n4 8 4 12\ndirect\n0.334418 0.640357 0.145132 Li\n0.834418 0.359643 0.354868 Li\n0.665582 0.359643 0.854868 Li\n0.165582 0.640357 0.645132 Li\n0.957145 0.912290 0.257252 H\n0.457145 0.087710 0.242748 H\n0.042855 0.087710 0.742748 H\n0.542855 0.912290 0.757252 H\n0.881647 0.033454 0.067023 H\n0.381647 0.966546 0.432977 H\n0.118353 0.966546 0.932977 H\n0.618353 0.033454 0.567023 H\n0.862031 0.208752 0.779778 N\n0.362031 0.791248 0.720222 N\n0.137969 0.791248 0.220222 N\n0.637969 0.208752 0.279778 N\n0.784986 0.353532 0.698542 O\n0.284986 0.646468 0.801458 O\n0.215014 0.646468 0.301458 O\n0.715014 0.353532 0.198542 O\n0.922002 0.177464 0.643767 O\n0.422002 0.822536 0.856233 O\n0.077998 0.822536 0.356233 O\n0.577998 0.177464 0.143767 O\n0.889409 0.932113 0.226816 O\n0.389409 0.067887 0.273184 O\n0.110591 0.067887 0.773184 O\n0.610591 0.932113 0.726816 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"H",
"N",
"O"
],
"chemical_system": "H-Li-N-O",
"density": 1.5122084732120185,
"density_atomic": 0.08983304253509693,
"volume": 311.6893206534852,
"volume_molar": 6.703703437014511,
"formula_full": "Li4 H8 N4 O12",
"formula_reduced": "LiH2NO3",
"formula_anonymous": "ABC2D3",
"energy": -163.64512488,
"energy_per_atom": -5.844468745714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.40112488,
"band_gap": 2.5465,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.538000Z",
"spacegroup": 14
},
{
"id": "mp-31405",
"created_at": "2022-09-04T14:47:17.245514Z",
"structure_string": "Mg4 Al1 Si6\n1.0\n1.837867 8.173357 0.000000\n-1.837867 8.173357 0.000000\n0.000000 0.245734 6.730128\nMg Al Si\n4 1 6\ndirect\n0.580146 0.580146 0.593958 Mg\n0.332259 0.332259 0.989990 Mg\n0.667741 0.667741 0.010010 Mg\n0.419854 0.419854 0.406042 Mg\n0.500000 0.500000 0.000000 Al\n0.051209 0.051209 0.244604 Si\n0.948791 0.948791 0.755396 Si\n0.211772 0.211772 0.710449 Si\n0.788228 0.788228 0.289551 Si\n0.191100 0.191100 0.344203 Si\n0.808900 0.808900 0.655797 Si\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Si"
],
"chemical_system": "Al-Mg-Si",
"density": 2.4039505108406347,
"density_atomic": 0.05440324649967707,
"volume": 202.19381576916174,
"volume_molar": 11.069451085121813,
"formula_full": "Mg4 Al1 Si6",
"formula_reduced": "Mg4AlSi6",
"formula_anonymous": "AB4C6",
"energy": -40.93490288,
"energy_per_atom": -3.7213548072727276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.36090288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.027000Z",
"spacegroup": 12
},
{
"id": "mp-17229",
"created_at": "2022-09-04T14:48:09.675657Z",
"structure_string": "Rb2 Be6 Zn2 F18\n1.0\n3.392642 -5.876228 0.000000\n3.392642 5.876228 0.000000\n0.000000 0.000000 9.813901\nRb Be Zn F\n2 6 2 18\ndirect\n0.333333 0.666667 0.500000 Rb\n0.333333 0.666667 0.000000 Rb\n0.876072 0.266733 0.250000 Be\n0.876072 0.609339 0.750000 Be\n0.390661 0.266733 0.750000 Be\n0.733267 0.123928 0.750000 Be\n0.733267 0.609339 0.250000 Be\n0.390661 0.123928 0.250000 Be\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.754128 0.008033 0.619581 F\n0.253905 0.245872 0.619581 F\n0.991967 0.746095 0.619581 F\n0.991967 0.245872 0.380419 F\n0.906726 0.517003 0.250000 F\n0.610277 0.093274 0.250000 F\n0.482997 0.389723 0.250000 F\n0.482997 0.093274 0.750000 F\n0.610277 0.517003 0.750000 F\n0.906726 0.389723 0.750000 F\n0.991967 0.245872 0.119581 F\n0.253905 0.008033 0.380419 F\n0.754128 0.746095 0.380419 F\n0.754128 0.746095 0.119581 F\n0.253905 0.008033 0.119581 F\n0.754128 0.008033 0.880419 F\n0.253905 0.245872 0.880419 F\n0.991967 0.746095 0.880419 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Be",
"Zn",
"F"
],
"chemical_system": "Be-F-Rb-Zn",
"density": 2.961218443747644,
"density_atomic": 0.07155659894970481,
"volume": 391.29864206766507,
"volume_molar": 8.415912506172631,
"formula_full": "Rb2 Be6 Zn2 F18",
"formula_reduced": "RbBe3ZnF9",
"formula_anonymous": "ABC3D9",
"energy": -154.11214975,
"energy_per_atom": -5.504005348214285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.79614975,
"band_gap": 6.2767,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.911000Z",
"spacegroup": 188
},
{
"id": "mp-3700",
"created_at": "2022-09-04T14:46:10.920364Z",
"structure_string": "Li2 Y2 F8\n1.0\n-2.626733 2.626733 5.429683\n2.626733 -2.626733 5.429683\n2.626733 2.626733 -5.429683\nLi Y F\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Y\n0.136512 0.252529 0.551409 F\n0.335102 0.386512 0.383983 F\n0.048880 0.664898 0.051409 F\n0.747471 0.298880 0.883983 F\n0.414898 0.863488 0.116017 F\n0.613488 0.997471 0.948591 F\n0.701120 0.585102 0.448591 F\n0.002529 0.951120 0.616017 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Y",
"F"
],
"chemical_system": "F-Li-Y",
"density": 3.8083617975625175,
"density_atomic": 0.08007831372479442,
"volume": 149.85330536854792,
"volume_molar": 7.520314152338827,
"formula_full": "Li2 Y2 F8",
"formula_reduced": "LiYF4",
"formula_anonymous": "ABC4",
"energy": -80.52423141,
"energy_per_atom": -6.7103526175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.82823141,
"band_gap": 7.877800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001567,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.486000Z",
"spacegroup": 88
}
]
}