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_full&page=12",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=10",
"results": [
{
"id": "mp-4667",
"created_at": "2022-09-04T14:42:49.033797Z",
"structure_string": "Zr6 Sn6 Rh6\n1.0\n3.711695 -6.428844 0.000000\n3.711695 6.428844 0.000000\n0.000000 0.000000 7.311299\nZr Sn Rh\n6 6 6\ndirect\n0.593822 0.982166 0.750000 Zr\n0.388344 0.406178 0.750000 Zr\n0.017834 0.611656 0.750000 Zr\n0.611656 0.017834 0.250000 Zr\n0.406178 0.388344 0.250000 Zr\n0.982166 0.593822 0.250000 Zr\n0.270183 0.000000 0.000000 Sn\n0.729817 0.729817 0.500000 Sn\n0.000000 0.270183 0.500000 Sn\n0.000000 0.270183 0.000000 Sn\n0.729817 0.729817 0.000000 Sn\n0.270183 0.000000 0.500000 Sn\n0.666667 0.333333 0.964317 Rh\n0.666667 0.333333 0.535683 Rh\n0.333333 0.666667 0.035683 Rh\n0.333333 0.666667 0.464317 Rh\n0.000000 0.000000 0.750000 Rh\n0.000000 0.000000 0.250000 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Zr",
"density": 8.932894830786859,
"density_atomic": 0.05158729963818377,
"volume": 348.92309010640287,
"volume_molar": 11.673688683527342,
"formula_full": "Zr6 Sn6 Rh6",
"formula_reduced": "ZrSnRh",
"formula_anonymous": "ABC",
"energy": -133.41339827,
"energy_per_atom": -7.4118554594444435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.41339827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.362000Z",
"spacegroup": 190
},
{
"id": "mp-607139",
"created_at": "2022-09-04T14:46:28.073482Z",
"structure_string": "Zr6 Sn6 Ir6\n1.0\n3.704631 -6.416609 0.000000\n3.704631 6.416609 0.000000\n0.000000 0.000000 7.398095\nZr Sn Ir\n6 6 6\ndirect\n0.405876 0.020408 0.250000 Zr\n0.594124 0.614533 0.750000 Zr\n0.614533 0.594124 0.250000 Zr\n0.979592 0.385467 0.250000 Zr\n0.020408 0.405876 0.750000 Zr\n0.385467 0.979592 0.750000 Zr\n0.270473 0.270473 0.500000 Sn\n0.270473 0.270473 0.000000 Sn\n0.729527 0.000000 0.000000 Sn\n0.000000 0.729527 0.500000 Sn\n0.729527 0.000000 0.500000 Sn\n0.000000 0.729527 0.000000 Sn\n0.666667 0.333333 0.537475 Ir\n0.666667 0.333333 0.962525 Ir\n0.333333 0.666667 0.037475 Ir\n0.333333 0.666667 0.462525 Ir\n0.000000 0.000000 0.750000 Ir\n0.000000 0.000000 0.250000 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Ir"
],
"chemical_system": "Ir-Sn-Zr",
"density": 11.391713884999188,
"density_atomic": 0.05117667582834741,
"volume": 351.7227273685012,
"volume_molar": 11.767354292801215,
"formula_full": "Zr6 Sn6 Ir6",
"formula_reduced": "ZrSnIr",
"formula_anonymous": "ABC",
"energy": -141.85238486,
"energy_per_atom": -7.880688047777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.85238486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010257,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.140000Z",
"spacegroup": 190
},
{
"id": "mp-29018",
"created_at": "2022-09-04T14:44:24.886930Z",
"structure_string": "Zr6 Sn6 Cl36\n1.0\n6.685196 0.000000 0.000000\n0.000000 11.977439 0.000000\n0.000000 0.640962 18.822541\nZr Sn Cl\n6 6 36\ndirect\n0.480946 0.506958 0.002003 Zr\n0.519054 0.506958 0.502003 Zr\n0.992960 0.669391 0.163457 Zr\n0.007040 0.669391 0.663457 Zr\n0.990146 0.995002 0.499780 Zr\n0.009854 0.995002 0.999780 Zr\n0.989308 0.322140 0.329839 Sn\n0.010692 0.322140 0.829839 Sn\n0.491680 0.843079 0.839681 Sn\n0.508320 0.843079 0.339681 Sn\n0.489956 0.166187 0.175070 Sn\n0.510044 0.166187 0.675070 Sn\n0.154635 0.168031 0.252551 Cl\n0.845365 0.168031 0.752551 Cl\n0.691726 0.680886 0.234605 Cl\n0.308274 0.680886 0.734605 Cl\n0.306897 0.983873 0.072099 Cl\n0.693103 0.983873 0.572099 Cl\n0.345913 0.362915 0.441289 Cl\n0.654087 0.362915 0.941289 Cl\n0.853774 0.847334 0.417034 Cl\n0.146226 0.847334 0.917034 Cl\n0.140946 0.827818 0.575476 Cl\n0.859054 0.827818 0.075476 Cl\n0.342865 0.321280 0.757376 Cl\n0.657135 0.321280 0.257376 Cl\n0.839977 0.812629 0.728354 Cl\n0.160023 0.812629 0.228354 Cl\n0.843521 0.144225 0.421818 Cl\n0.156479 0.144225 0.921818 Cl\n0.353607 0.662449 0.436456 Cl\n0.646393 0.662449 0.936456 Cl\n0.804632 0.510722 0.424523 Cl\n0.195368 0.510722 0.924523 Cl\n0.308488 0.991024 0.425105 Cl\n0.691512 0.991024 0.925105 Cl\n0.851042 0.130197 0.073666 Cl\n0.148958 0.130197 0.573666 Cl\n0.296378 0.659928 0.078566 Cl\n0.703622 0.659928 0.578566 Cl\n0.655584 0.007285 0.257069 Cl\n0.344416 0.007285 0.757069 Cl\n0.864531 0.516484 0.734888 Cl\n0.135469 0.516484 0.234888 Cl\n0.344914 0.372629 0.089619 Cl\n0.655086 0.372629 0.589619 Cl\n0.802036 0.529531 0.087577 Cl\n0.197964 0.529531 0.587577 Cl\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Cl"
],
"chemical_system": "Cl-Sn-Zr",
"density": 2.794003282988978,
"density_atomic": 0.031848198631264306,
"volume": 1507.14960540594,
"volume_molar": 18.90888972944381,
"formula_full": "Zr6 Sn6 Cl36",
"formula_reduced": "ZrSnCl6",
"formula_anonymous": "ABC6",
"energy": -234.07709833,
"energy_per_atom": -4.876606215208334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.97309833,
"band_gap": 1.9774000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026616,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.249000Z",
"spacegroup": 7
},
{
"id": "mp-1094276",
"created_at": "2022-09-04T14:39:35.394631Z",
"structure_string": "Zr6 Sn6\n1.0\n5.493296 0.000000 0.000000\n0.000000 6.131442 0.000000\n0.000000 0.971271 8.439579\nZr Sn\n6 6\ndirect\n0.250000 0.448447 0.591226 Zr\n0.250000 0.943294 0.615232 Zr\n0.750000 0.551553 0.408774 Zr\n0.750000 0.056706 0.384768 Zr\n0.250000 0.302831 0.234944 Zr\n0.750000 0.697169 0.765056 Zr\n0.250000 0.788675 0.300402 Sn\n0.750000 0.861182 0.082654 Sn\n0.750000 0.358059 0.077661 Sn\n0.250000 0.641941 0.922339 Sn\n0.250000 0.138818 0.917346 Sn\n0.750000 0.211325 0.699598 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.358117525649417,
"density_atomic": 0.042214809876815425,
"volume": 284.2604298116348,
"volume_molar": 14.265469340198043,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -78.28051438,
"energy_per_atom": -6.523376198333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.28051438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.523000Z",
"spacegroup": 11
},
{
"id": "mp-1094278",
"created_at": "2022-09-04T14:42:08.239293Z",
"structure_string": "Zr6 Sn6\n1.0\n5.226968 0.000000 0.000000\n0.000000 5.611233 0.000000\n0.000000 0.000000 9.545732\nZr Sn\n6 6\ndirect\n0.000000 0.955932 0.263814 Zr\n0.000000 0.025278 0.937832 Zr\n0.500000 0.334471 0.238172 Zr\n0.000000 0.525278 0.062168 Zr\n0.000000 0.455932 0.736186 Zr\n0.500000 0.834471 0.761828 Zr\n0.000000 0.945950 0.607076 Sn\n0.500000 0.405046 0.568742 Sn\n0.500000 0.333384 0.911448 Sn\n0.000000 0.445950 0.392924 Sn\n0.500000 0.905046 0.431258 Sn\n0.500000 0.833384 0.088552 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.470776558200372,
"density_atomic": 0.04286115449192467,
"volume": 279.9737931058502,
"volume_molar": 14.050346593287893,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -78.74428707,
"energy_per_atom": -6.5620239225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.74428707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.705000Z",
"spacegroup": 26
},
{
"id": "mp-1094289",
"created_at": "2022-09-04T14:39:59.047746Z",
"structure_string": "Zr6 Sn6\n1.0\n4.674819 0.000000 0.000000\n0.000000 7.801687 0.000000\n0.000000 2.393186 7.851211\nZr Sn\n6 6\ndirect\n0.750000 0.355943 0.535955 Zr\n0.250000 0.644057 0.464045 Zr\n0.250000 0.000178 0.127804 Zr\n0.250000 0.964246 0.634967 Zr\n0.750000 0.035754 0.365033 Zr\n0.750000 0.999822 0.872196 Zr\n0.750000 0.336527 0.026558 Sn\n0.250000 0.663473 0.973442 Sn\n0.750000 0.720740 0.223679 Sn\n0.750000 0.704401 0.675263 Sn\n0.250000 0.295599 0.324737 Sn\n0.250000 0.279260 0.776321 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.3045447885809764,
"density_atomic": 0.04190745369474286,
"volume": 286.34524272004046,
"volume_molar": 14.370094646803743,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -78.81131447,
"energy_per_atom": -6.567609539166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.81131447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.818000Z",
"spacegroup": 11
},
{
"id": "mp-1094269",
"created_at": "2022-09-04T14:48:10.300643Z",
"structure_string": "Zr6 Sn6\n1.0\n5.319826 0.000000 0.000000\n0.000000 5.481775 0.000000\n0.000000 0.000000 9.601624\nZr Sn\n6 6\ndirect\n0.000000 0.947502 0.920148 Zr\n0.000000 0.008994 0.588910 Zr\n0.500000 0.374212 0.904997 Zr\n0.000000 0.508994 0.411090 Zr\n0.000000 0.447502 0.079852 Zr\n0.500000 0.874212 0.095003 Zr\n0.000000 0.982925 0.247661 Sn\n0.500000 0.318056 0.562012 Sn\n0.500000 0.368371 0.224038 Sn\n0.000000 0.482925 0.752339 Sn\n0.500000 0.868371 0.775962 Sn\n0.500000 0.818056 0.437988 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.469986208507498,
"density_atomic": 0.042856620117214764,
"volume": 280.0034152758539,
"volume_molar": 14.051833167266054,
"formula_full": "Zr6 Sn6",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -78.7940521,
"energy_per_atom": -6.566171008333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.7940521,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.771000Z",
"spacegroup": 26
},
{
"id": "mp-1094267",
"created_at": "2022-09-04T14:41:20.765578Z",
"structure_string": "Zr6 Sn2\n1.0\n5.148362 0.000000 0.000000\n0.000000 5.725013 0.000000\n0.000000 0.000000 6.128148\nZr Sn\n6 2\ndirect\n0.000000 0.648441 0.249997 Zr\n0.000000 0.134153 0.500000 Zr\n0.000000 0.648441 0.750003 Zr\n0.500000 0.865847 0.000000 Zr\n0.500000 0.351559 0.250003 Zr\n0.500000 0.351559 0.749997 Zr\n0.000000 0.166693 0.000000 Sn\n0.500000 0.833307 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.214618498106379,
"density_atomic": 0.044290969657436806,
"volume": 180.6237267297384,
"volume_molar": 13.59676883702824,
"formula_full": "Zr6 Sn2",
"formula_reduced": "Zr3Sn",
"formula_anonymous": "AB3",
"energy": -62.06556665,
"energy_per_atom": -7.75819583125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.06556665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.771000Z",
"spacegroup": 59
},
{
"id": "mp-1188061",
"created_at": "2022-09-04T14:48:15.089004Z",
"structure_string": "Zr6 Sn2\n1.0\n3.160878 -5.474801 0.000000\n3.160878 5.474801 0.000000\n0.000000 0.000000 5.211914\nZr Sn\n6 2\ndirect\n0.167635 0.335271 0.250000 Zr\n0.664729 0.832365 0.250000 Zr\n0.167635 0.832365 0.250000 Zr\n0.832365 0.664729 0.750000 Zr\n0.335271 0.167635 0.750000 Zr\n0.832365 0.167635 0.750000 Zr\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.22411850110123,
"density_atomic": 0.044349290737685315,
"volume": 180.38619934911583,
"volume_molar": 13.578888545522448,
"formula_full": "Zr6 Sn2",
"formula_reduced": "Zr3Sn",
"formula_anonymous": "AB3",
"energy": -62.21665319,
"energy_per_atom": -7.77708164875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.21665319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.604000Z",
"spacegroup": 194
},
{
"id": "mp-30876",
"created_at": "2022-09-04T14:44:56.639449Z",
"structure_string": "Zr6 Sn2\n1.0\n5.651281 0.000000 0.000000\n0.000000 5.651281 0.000000\n0.000000 0.000000 5.651281\nZr Sn\n6 2\ndirect\n0.500000 0.250000 0.000000 Zr\n0.500000 0.750000 0.000000 Zr\n0.250000 0.000000 0.500000 Zr\n0.750000 0.000000 0.500000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.500000 0.750000 Zr\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.2201706534417385,
"density_atomic": 0.0443250546674143,
"volume": 180.48483098389102,
"volume_molar": 13.586313215372513,
"formula_full": "Zr6 Sn2",
"formula_reduced": "Zr3Sn",
"formula_anonymous": "AB3",
"energy": -62.22556685,
"energy_per_atom": -7.77819585625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.22556685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1150683,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.471000Z",
"spacegroup": 223
},
{
"id": "mp-570166",
"created_at": "2022-09-04T14:46:21.479049Z",
"structure_string": "Zr6 Si7 Ni16\n1.0\n0.000000 5.741131 5.741131\n5.741131 0.000000 5.741131\n5.741131 5.741131 0.000000\nZr Si Ni\n6 7 16\ndirect\n0.792676 0.207324 0.792676 Zr\n0.792676 0.792676 0.207324 Zr\n0.207324 0.792676 0.792676 Zr\n0.207324 0.207324 0.792676 Zr\n0.792676 0.207324 0.207324 Zr\n0.207324 0.792676 0.207324 Zr\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.169115 0.169115 0.169115 Ni\n0.618201 0.618201 0.145396 Ni\n0.381799 0.381799 0.381799 Ni\n0.169115 0.492655 0.169115 Ni\n0.169115 0.169115 0.492655 Ni\n0.145396 0.618201 0.618201 Ni\n0.618201 0.145396 0.618201 Ni\n0.830885 0.830885 0.830885 Ni\n0.854604 0.381799 0.381799 Ni\n0.381799 0.381799 0.854604 Ni\n0.381799 0.854604 0.381799 Ni\n0.507345 0.830885 0.830885 Ni\n0.618201 0.618201 0.618201 Ni\n0.830885 0.830885 0.507345 Ni\n0.492655 0.169115 0.169115 Ni\n0.830885 0.507345 0.830885 Ni\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Zr",
"density": 7.384487671287118,
"density_atomic": 0.07662590773606724,
"volume": 378.4620744707983,
"volume_molar": 7.8591444302922415,
"formula_full": "Zr6 Si7 Ni16",
"formula_reduced": "Zr6Si7Ni16",
"formula_anonymous": "A6B7C16",
"energy": -203.46066309,
"energy_per_atom": -7.015884934137931,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.95766309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.469000Z",
"spacegroup": 225
},
{
"id": "mp-1207024",
"created_at": "2022-09-04T14:44:14.862566Z",
"structure_string": "Zr6 Si4\n1.0\n7.137370 0.000000 0.000000\n0.000000 7.137370 0.000000\n0.000000 0.000000 3.699711\nZr Si\n6 4\ndirect\n0.673882 0.173882 0.500000 Zr\n0.326118 0.826118 0.500000 Zr\n0.173882 0.326118 0.500000 Zr\n0.826118 0.673882 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.122176 0.622176 0.000000 Si\n0.877824 0.377824 0.000000 Si\n0.622176 0.877824 0.000000 Si\n0.377824 0.122176 0.000000 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.812221303625078,
"density_atomic": 0.05305859883459231,
"volume": 188.4708646599306,
"volume_molar": 11.349980761410118,
"formula_full": "Zr6 Si4",
"formula_reduced": "Zr3Si2",
"formula_anonymous": "A2B3",
"energy": -81.53541025999999,
"energy_per_atom": -8.153541026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.81941026000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.815000Z",
"spacegroup": 127
}
]
}