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_reduced&page=10227",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10225",
"results": [
{
"id": "mp-1016337",
"created_at": "2022-09-04T14:40:18.929304Z",
"structure_string": "Sr1 Mg6 B1\n1.0\n3.121755 -7.819235 0.000000\n3.121755 7.819235 0.000000\n0.000000 0.000000 3.979977\nSr Mg B\n1 6 1\ndirect\n0.224207 0.775793 0.000000 Sr\n0.187571 0.361933 0.000000 Mg\n0.638067 0.812429 0.000000 Mg\n0.649465 0.350535 0.000000 Mg\n0.292136 0.201026 0.500000 Mg\n0.798974 0.707864 0.500000 Mg\n0.806945 0.193055 0.500000 Mg\n0.402636 0.597364 0.500000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"B"
],
"chemical_system": "B-Mg-Sr",
"density": 2.0875149220253424,
"density_atomic": 0.041173363585284305,
"volume": 194.30037537324895,
"volume_molar": 14.626302627731784,
"formula_full": "Sr1 Mg6 B1",
"formula_reduced": "SrMg6B",
"formula_anonymous": "ABC6",
"energy": -15.74848007,
"energy_per_atom": -1.96856000875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.74848007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.326000Z",
"spacegroup": 38
},
{
"id": "mp-1016359",
"created_at": "2022-09-04T14:42:22.963173Z",
"structure_string": "Sr2 Mg12 Bi2\n1.0\n5.453839 0.000000 0.000000\n0.000000 6.524779 0.000000\n0.000000 0.000000 12.120265\nSr Mg Bi\n2 12 2\ndirect\n0.500000 0.000000 0.170747 Sr\n0.500000 0.500000 0.670747 Sr\n0.500000 0.247949 0.418364 Mg\n0.500000 0.752051 0.418364 Mg\n0.000000 0.744000 0.073297 Mg\n0.000000 0.256000 0.073297 Mg\n0.000000 0.000000 0.343613 Mg\n0.000000 0.500000 0.339187 Mg\n0.500000 0.747949 0.918364 Mg\n0.500000 0.252051 0.918364 Mg\n0.000000 0.244000 0.573297 Mg\n0.000000 0.756000 0.573297 Mg\n0.000000 0.500000 0.843613 Mg\n0.000000 0.000000 0.839187 Mg\n0.500000 0.500000 0.163126 Bi\n0.500000 0.000000 0.663126 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Sr",
"density": 3.4067778777546853,
"density_atomic": 0.037097081800857655,
"volume": 431.30077147011855,
"volume_molar": 16.233462223060286,
"formula_full": "Sr2 Mg12 Bi2",
"formula_reduced": "SrMg6Bi",
"formula_anonymous": "ABC6",
"energy": -31.23055037,
"energy_per_atom": -1.951909398125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.23055037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0098762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.440000Z",
"spacegroup": 38
},
{
"id": "mp-1016352",
"created_at": "2022-09-04T14:43:11.449976Z",
"structure_string": "Sr2 Mg12 Bi2\n1.0\n5.245592 0.000000 0.000000\n0.000000 6.999890 0.000000\n0.000000 0.000000 11.832525\nSr Mg Bi\n2 12 2\ndirect\n0.000000 0.500000 0.329563 Sr\n0.000000 0.000000 0.829563 Sr\n0.000000 0.241792 0.077760 Mg\n0.000000 0.758208 0.077760 Mg\n0.000000 0.500000 0.839953 Mg\n0.500000 0.275095 0.924391 Mg\n0.500000 0.724905 0.924391 Mg\n0.500000 0.500000 0.668792 Mg\n0.000000 0.741792 0.577760 Mg\n0.000000 0.258208 0.577760 Mg\n0.000000 0.000000 0.339953 Mg\n0.500000 0.775095 0.424391 Mg\n0.500000 0.224905 0.424391 Mg\n0.500000 0.000000 0.168792 Mg\n0.500000 0.500000 0.157389 Bi\n0.500000 0.000000 0.657389 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Sr",
"density": 3.381901069313731,
"density_atomic": 0.03682619328660953,
"volume": 434.4733618127672,
"volume_molar": 16.35287338316808,
"formula_full": "Sr2 Mg12 Bi2",
"formula_reduced": "SrMg6Bi",
"formula_anonymous": "ABC6",
"energy": -31.00980596,
"energy_per_atom": -1.9381128725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.00980596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.652000Z",
"spacegroup": 38
},
{
"id": "mp-1033482",
"created_at": "2022-09-04T14:41:06.283278Z",
"structure_string": "Sr1 Mg6 Bi1 O8\n1.0\n9.254166 -0.000000 0.000000\n-0.000000 4.678193 0.000000\n0.000000 0.000000 4.678193\nSr Mg Bi O\n1 6 1 8\ndirect\n0.000000 -0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.245483 0.000000 0.500000 Mg\n0.754517 -0.000000 0.500000 Mg\n0.245483 0.500000 -0.000000 Mg\n0.754517 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Bi\n0.251677 0.000000 -0.000000 O\n0.748323 -0.000000 0.000000 O\n0.252203 0.500000 0.500000 O\n0.747797 0.500000 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-Sr",
"density": 4.676861944822018,
"density_atomic": 0.07899987926639668,
"volume": 202.53195509383198,
"volume_molar": 7.622974637331596,
"formula_full": "Sr1 Mg6 Bi1 O8",
"formula_reduced": "SrMg6BiO8",
"formula_anonymous": "ABC6D8",
"energy": -93.3151139,
"energy_per_atom": -5.83219461875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.8191139,
"band_gap": 2.0546,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.591000Z",
"spacegroup": 123
},
{
"id": "mp-1033410",
"created_at": "2022-09-04T14:39:50.059996Z",
"structure_string": "Sr1 Mg6 Bi1 O8\n1.0\n9.596643 -0.000000 -0.000000\n0.000000 4.600418 0.000000\n0.000000 -0.000000 4.600418\nSr Mg Bi O\n1 6 1 8\ndirect\n-0.000000 -0.000000 0.000000 Sr\n0.500000 -0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.287489 0.000000 0.500000 Mg\n0.712511 -0.000000 0.500000 Mg\n0.287489 0.500000 0.000000 Mg\n0.712511 0.500000 -0.000000 Mg\n-0.000000 0.500000 0.500000 Bi\n0.279267 0.000000 0.000000 O\n0.720733 -0.000000 -0.000000 O\n0.289593 0.500000 0.500000 O\n0.710407 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-Sr",
"density": 4.6637383602757145,
"density_atomic": 0.07877820036996311,
"volume": 203.1018724070847,
"volume_molar": 7.644425401593901,
"formula_full": "Sr1 Mg6 Bi1 O8",
"formula_reduced": "SrMg6BiO8",
"formula_anonymous": "ABC6D8",
"energy": -94.58668315,
"energy_per_atom": -5.911667696875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.09068315,
"band_gap": 0.2957000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.368000Z",
"spacegroup": 123
},
{
"id": "mp-1016514",
"created_at": "2022-09-04T14:46:24.396233Z",
"structure_string": "Sr2 Mg12 C2\n1.0\n3.564098 0.000000 0.000000\n0.000000 6.216647 0.000000\n0.000000 0.000000 17.039766\nSr Mg C\n2 12 2\ndirect\n0.000000 0.500000 0.284237 Sr\n0.000000 0.000000 0.784237 Sr\n0.000000 0.282152 0.092067 Mg\n0.000000 0.717848 0.092067 Mg\n0.000000 0.000000 0.345584 Mg\n0.500000 0.752055 0.457850 Mg\n0.500000 0.247945 0.457850 Mg\n0.500000 0.000000 0.205465 Mg\n0.000000 0.782152 0.592067 Mg\n0.000000 0.217848 0.592067 Mg\n0.000000 0.500000 0.845584 Mg\n0.500000 0.252055 0.957850 Mg\n0.500000 0.747945 0.957850 Mg\n0.500000 0.500000 0.705465 Mg\n0.500000 0.500000 0.064879 C\n0.500000 0.000000 0.564879 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 2.1591936306822004,
"density_atomic": 0.042378981161732894,
"volume": 377.54565025851963,
"volume_molar": 14.210206557390848,
"formula_full": "Sr2 Mg12 C2",
"formula_reduced": "SrMg6C",
"formula_anonymous": "ABC6",
"energy": -35.980606,
"energy_per_atom": -2.248787875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.980606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.809000Z",
"spacegroup": 38
},
{
"id": "mp-1016428",
"created_at": "2022-09-04T14:44:24.498220Z",
"structure_string": "Sr1 Mg6 C1\n1.0\n2.901104 -7.177015 0.000000\n2.901104 7.177015 0.000000\n0.000000 0.000000 4.527474\nSr Mg C\n1 6 1\ndirect\n0.799260 0.200740 0.500000 Sr\n0.301069 0.195639 0.500000 Mg\n0.804361 0.698931 0.500000 Mg\n0.189066 0.350290 0.000000 Mg\n0.649710 0.810934 0.000000 Mg\n0.637526 0.362474 0.000000 Mg\n0.189416 0.810584 0.000000 Mg\n0.429597 0.570403 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 2.161911707906799,
"density_atomic": 0.042432329477446955,
"volume": 188.53548929601072,
"volume_molar": 14.192340684950624,
"formula_full": "Sr1 Mg6 C1",
"formula_reduced": "SrMg6C",
"formula_anonymous": "ABC6",
"energy": -17.26712319,
"energy_per_atom": -2.15839039875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.26712319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.835000Z",
"spacegroup": 38
},
{
"id": "mp-1016322",
"created_at": "2022-09-04T14:44:15.130883Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.223789 0.000000 0.000000\n0.000000 6.811949 0.000000\n0.000000 0.000000 11.760569\nSr Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.669657 Sr\n0.000000 0.000000 0.169657 Sr\n0.000000 0.255509 0.919629 Mg\n0.000000 0.744491 0.919629 Mg\n0.000000 0.500000 0.161767 Mg\n0.500000 0.266135 0.076830 Mg\n0.500000 0.733865 0.076830 Mg\n0.500000 0.500000 0.332869 Mg\n0.000000 0.755509 0.419629 Mg\n0.000000 0.244491 0.419629 Mg\n0.000000 0.000000 0.661767 Mg\n0.500000 0.766135 0.576830 Mg\n0.500000 0.233865 0.576830 Mg\n0.500000 0.000000 0.832869 Mg\n0.500000 0.500000 0.842789 Cd\n0.500000 0.000000 0.342789 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 2.744702875629348,
"density_atomic": 0.03823267050550082,
"volume": 418.4902542368303,
"volume_molar": 15.751295110639868,
"formula_full": "Sr2 Mg12 Cd2",
"formula_reduced": "SrMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.2068176,
"energy_per_atom": -1.5129261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.2068176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.450000Z",
"spacegroup": 38
},
{
"id": "mp-1016338",
"created_at": "2022-09-04T14:41:46.371219Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.246933 0.000000 0.000000\n0.000000 6.682835 0.000000\n0.000000 0.000000 11.877265\nSr Mg Cd\n2 12 2\ndirect\n0.500000 0.000000 0.168733 Sr\n0.500000 0.500000 0.668733 Sr\n0.500000 0.243699 0.418922 Mg\n0.500000 0.756301 0.418922 Mg\n0.000000 0.736434 0.079335 Mg\n0.000000 0.263566 0.079335 Mg\n0.000000 0.000000 0.341889 Mg\n0.000000 0.500000 0.332251 Mg\n0.500000 0.743699 0.918922 Mg\n0.500000 0.256301 0.918922 Mg\n0.000000 0.236434 0.579335 Mg\n0.000000 0.763566 0.579335 Mg\n0.000000 0.500000 0.841889 Mg\n0.000000 0.000000 0.832251 Mg\n0.500000 0.500000 0.160610 Cd\n0.500000 0.000000 0.660610 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 2.7580236286696627,
"density_atomic": 0.038418223545284305,
"volume": 416.46902234145443,
"volume_molar": 15.675219216998896,
"formula_full": "Sr2 Mg12 Cd2",
"formula_reduced": "SrMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.13414497,
"energy_per_atom": -1.508384060625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.13414497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.739000Z",
"spacegroup": 38
},
{
"id": "mp-1033445",
"created_at": "2022-09-04T14:39:09.147677Z",
"structure_string": "Sr1 Mg6 Cd1 O8\n1.0\n8.974466 -0.000000 0.000000\n0.000000 4.556663 0.000000\n0.000000 0.000000 4.556663\nSr Mg Cd O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.257443 0.000000 0.500000 Mg\n0.742557 -0.000000 0.500000 Mg\n0.257443 0.500000 -0.000000 Mg\n0.742557 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Cd\n0.258176 -0.000000 0.000000 O\n0.741824 0.000000 -0.000000 O\n0.252866 0.500000 0.500000 O\n0.747134 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Cd",
"O"
],
"chemical_system": "Cd-Mg-O-Sr",
"density": 4.222729162305614,
"density_atomic": 0.08586527107776347,
"volume": 186.33843228084237,
"volume_molar": 7.013476676206004,
"formula_full": "Sr1 Mg6 Cd1 O8",
"formula_reduced": "SrMg6CdO8",
"formula_anonymous": "ABC6D8",
"energy": -93.54015764,
"energy_per_atom": -5.8462598525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.04415764,
"band_gap": 6.6511,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.912000Z",
"spacegroup": 123
},
{
"id": "mp-1033462",
"created_at": "2022-09-04T14:45:30.717966Z",
"structure_string": "Sr1 Mg6 Cd1 O8\n1.0\n8.912096 0.000000 0.000000\n-0.000000 4.549953 0.000000\n0.000000 0.000000 4.549953\nSr Mg Cd O\n1 6 1 8\ndirect\n0.000000 0.000000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.267744 0.000000 0.500000 Mg\n0.732256 -0.000000 0.500000 Mg\n0.267744 0.500000 -0.000000 Mg\n0.732256 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Cd\n0.273859 0.000000 0.000000 O\n0.726141 -0.000000 -0.000000 O\n0.268850 0.500000 0.500000 O\n0.731150 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Cd",
"O"
],
"chemical_system": "Cd-Mg-O-Sr",
"density": 4.264832585684277,
"density_atomic": 0.0867214050429683,
"volume": 184.49885575622764,
"volume_molar": 6.94423799639337,
"formula_full": "Sr1 Mg6 Cd1 O8",
"formula_reduced": "SrMg6CdO8",
"formula_anonymous": "ABC6D8",
"energy": -94.45646532,
"energy_per_atom": -5.9035290825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.96046532,
"band_gap": 4.8459,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.669000Z",
"spacegroup": 123
},
{
"id": "mp-1022451",
"created_at": "2022-09-04T14:39:18.350228Z",
"structure_string": "Sr2 Mg12 Co2\n1.0\n4.911276 0.000000 0.000000\n0.000000 6.045897 0.000000\n0.000000 0.000000 13.221867\nSr Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.198379 Sr\n0.500000 0.000000 0.698379 Sr\n0.500000 0.244747 0.442201 Mg\n0.500000 0.755253 0.442201 Mg\n0.000000 0.765132 0.077307 Mg\n0.000000 0.234868 0.077307 Mg\n0.000000 0.000000 0.290868 Mg\n0.000000 0.500000 0.368939 Mg\n0.500000 0.744747 0.942201 Mg\n0.500000 0.255253 0.942201 Mg\n0.000000 0.265132 0.577307 Mg\n0.000000 0.734868 0.577307 Mg\n0.000000 0.500000 0.790868 Mg\n0.000000 0.000000 0.868939 Mg\n0.500000 0.000000 0.102793 Co\n0.500000 0.500000 0.602793 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Sr",
"density": 2.473338918948665,
"density_atomic": 0.04075417568986457,
"volume": 392.59780695255597,
"volume_molar": 14.776745347097492,
"formula_full": "Sr2 Mg12 Co2",
"formula_reduced": "SrMg6Co",
"formula_anonymous": "ABC6",
"energy": -33.9088255,
"energy_per_atom": -2.11930159375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.9088255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3189267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.452000Z",
"spacegroup": 38
}
]
}