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=elements&page=10135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10133",
"results": [
{
"id": "mp-1219605",
"created_at": "2022-09-04T14:42:08.845054Z",
"structure_string": "Rb2 Al2 Si6 O16\n1.0\n7.362822 0.000000 0.000000\n-1.789731 7.578495 0.000000\n-2.151713 -3.520513 6.970790\nRb Al Si O\n2 2 6 16\ndirect\n0.146151 0.296335 0.293268 Rb\n0.853849 0.703665 0.706732 Rb\n0.219324 0.817369 0.203007 Al\n0.780676 0.182631 0.796993 Al\n0.229477 0.201433 0.824573 Si\n0.770523 0.798567 0.175427 Si\n0.342682 0.604337 0.846842 Si\n0.350167 0.840446 0.605552 Si\n0.657318 0.395663 0.153158 Si\n0.649833 0.159554 0.394448 Si\n0.284116 0.664202 0.670777 O\n0.715884 0.335798 0.329223 O\n0.407143 0.051545 0.297128 O\n0.410103 0.298107 0.039332 O\n0.592857 0.948455 0.702872 O\n0.589897 0.701893 0.960668 O\n0.257937 0.726043 0.373369 O\n0.271114 0.360818 0.736526 O\n0.742063 0.273957 0.626631 O\n0.728886 0.639182 0.263474 O\n0.222579 0.667452 0.983451 O\n0.235054 0.994392 0.679336 O\n0.777421 0.332548 0.016549 O\n0.764946 0.005608 0.320664 O\n0.983178 0.846055 0.149325 O\n0.016822 0.153945 0.850675 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Rb-Si",
"density": 2.7723847525990277,
"density_atomic": 0.06684425368154161,
"volume": 388.96387599551656,
"volume_molar": 9.009212353077638,
"formula_full": "Rb2 Al2 Si6 O16",
"formula_reduced": "RbAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -205.53380094,
"energy_per_atom": -7.90514619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.54180094,
"band_gap": 4.9009,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.614000Z",
"spacegroup": 2
},
{
"id": "mp-975622",
"created_at": "2022-09-04T14:41:32.728747Z",
"structure_string": "Rb4 Al4 Si6 O20\n1.0\n0.000000 8.803301 9.434686\n3.303117 0.000000 9.434686\n3.303117 8.803301 0.000000\nRb Al Si O\n4 4 6 20\ndirect\n0.984076 0.638895 0.107831 Rb\n0.269197 0.107831 0.638895 Rb\n0.142169 0.980803 0.265924 Rb\n0.611105 0.265924 0.980803 Rb\n0.565261 0.249774 0.516329 Al\n0.668636 0.516329 0.249774 Al\n0.733671 0.581364 0.684739 Al\n0.000226 0.684739 0.581364 Al\n0.558926 0.010119 0.739274 Si\n0.691680 0.739274 0.010119 Si\n0.510726 0.558320 0.691074 Si\n0.239881 0.691074 0.558320 Si\n0.999808 0.000192 0.000192 Si\n0.249808 0.250192 0.250192 Si\n0.370262 0.209614 0.002544 O\n0.417580 0.002544 0.209614 O\n0.247456 0.832420 0.879738 O\n0.040386 0.879738 0.832420 O\n0.810150 0.858306 0.584759 O\n0.746785 0.584759 0.858306 O\n0.665241 0.503215 0.439850 O\n0.391694 0.439850 0.503215 O\n0.506761 0.397763 0.700736 O\n0.394740 0.700736 0.397763 O\n0.549264 0.855260 0.743239 O\n0.852237 0.743239 0.855260 O\n0.487177 0.143855 0.637323 O\n0.731644 0.637323 0.143855 O\n0.612677 0.518356 0.762823 O\n0.106145 0.762823 0.518356 O\n0.850671 0.028950 0.236035 O\n0.884343 0.236035 0.028950 O\n0.013965 0.365657 0.399329 O\n0.221050 0.399329 0.365657 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Rb-Si",
"density": 2.8396387706695276,
"density_atomic": 0.06196578588764349,
"volume": 548.6898860872818,
"volume_molar": 9.718493316488168,
"formula_full": "Rb4 Al4 Si6 O20",
"formula_reduced": "Rb2Al2Si3O10",
"formula_anonymous": "A2B2C3D10",
"energy": -259.18700586,
"energy_per_atom": -7.62314723117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.44700586,
"band_gap": 4.6713000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.839000Z",
"spacegroup": 43
},
{
"id": "mp-1114010",
"created_at": "2022-09-04T14:42:12.777637Z",
"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n0.000000 5.703219 5.703219\n5.703219 0.000000 5.703219\n5.703219 5.703219 0.000000\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.778166 0.221834 0.221834 Br\n0.221834 0.221834 0.778166 Br\n0.221834 0.778166 0.778166 Br\n0.221834 0.778166 0.221834 Br\n0.778166 0.221834 0.778166 Br\n0.778166 0.778166 0.221834 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"Br"
],
"chemical_system": "Al-Br-Rb-Tl",
"density": 3.946315782883873,
"density_atomic": 0.026953170509692904,
"volume": 371.01386630577645,
"volume_molar": 22.34297726805207,
"formula_full": "Rb2 Al1 Tl1 Br6",
"formula_reduced": "Rb2AlTlBr6",
"formula_anonymous": "ABC2D6",
"energy": -34.16563871,
"energy_per_atom": -3.416563871,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.96163871,
"band_gap": 2.8889,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.159000Z",
"spacegroup": 225
},
{
"id": "mp-1114008",
"created_at": "2022-09-04T14:44:53.261471Z",
"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n0.000000 5.406528 5.406528\n5.406528 0.000000 5.406528\n5.406528 5.406528 0.000000\nRb Al Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.782792 0.217208 0.217208 Cl\n0.217208 0.217208 0.782792 Cl\n0.217208 0.782792 0.782792 Cl\n0.217208 0.782792 0.217208 Cl\n0.782792 0.217208 0.782792 Cl\n0.782792 0.782792 0.217208 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"Cl"
],
"chemical_system": "Al-Cl-Rb-Tl",
"density": 3.231110931704896,
"density_atomic": 0.03163840891164132,
"volume": 316.0715201553802,
"volume_molar": 19.034271846028766,
"formula_full": "Rb2 Al1 Tl1 Cl6",
"formula_reduced": "Rb2AlTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -38.79459033,
"energy_per_atom": -3.879459033,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.11059033,
"band_gap": 3.8791,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.865000Z",
"spacegroup": 225
},
{
"id": "mp-1113654",
"created_at": "2022-09-04T14:45:16.431893Z",
"structure_string": "Rb2 Al1 Tl1 F6\n1.0\n0.000000 4.528080 4.528080\n4.528080 0.000000 4.528080\n4.528080 4.528080 0.000000\nRb Al Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.203558 0.203558 0.796442 F\n0.203558 0.796442 0.796442 F\n0.796442 0.796442 0.203558 F\n0.203558 0.796442 0.203558 F\n0.796442 0.203558 0.796442 F\n0.796442 0.203558 0.203558 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"F"
],
"chemical_system": "Al-F-Rb-Tl",
"density": 4.617121074549173,
"density_atomic": 0.053855210888273004,
"volume": 185.68305341419625,
"volume_molar": 11.182094844068883,
"formula_full": "Rb2 Al1 Tl1 F6",
"formula_reduced": "Rb2AlTlF6",
"formula_anonymous": "ABC2D6",
"energy": -51.46998746999999,
"energy_per_atom": -5.146998747,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.69798747,
"band_gap": 5.3013,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.746000Z",
"spacegroup": 225
},
{
"id": "mp-989539",
"created_at": "2022-09-04T14:47:56.028362Z",
"structure_string": "Rb2 Al1 Tl1 H6\n1.0\n0.000000 4.343365 4.343365\n4.343365 0.000000 4.343365\n4.343365 4.343365 0.000000\nRb Al Tl H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tl\n0.294156 0.705844 0.705844 H\n0.294156 0.705844 0.294156 H\n0.705844 0.294156 0.705844 H\n0.705844 0.705844 0.294156 H\n0.294156 0.294156 0.705844 H\n0.705844 0.294156 0.294156 H\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"H"
],
"chemical_system": "Al-H-Rb-Tl",
"density": 4.13781086988407,
"density_atomic": 0.061022644188122324,
"volume": 163.87359369698433,
"volume_molar": 9.868698480902884,
"formula_full": "Rb2 Al1 Tl1 H6",
"formula_reduced": "Rb2AlTlH6",
"formula_anonymous": "ABC2D6",
"energy": -30.42935127,
"energy_per_atom": -3.0429351270000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.35535127,
"band_gap": 0.7191999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.121000Z",
"spacegroup": 225
},
{
"id": "mp-1114117",
"created_at": "2022-09-04T14:41:14.716114Z",
"structure_string": "Rb2 Al1 Tl1 I6\n1.0\n0.000000 6.123925 6.123925\n6.123925 0.000000 6.123925\n6.123925 6.123925 0.000000\nRb Al Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.772636 0.227364 0.227364 I\n0.227364 0.227364 0.772636 I\n0.227364 0.772636 0.772636 I\n0.227364 0.772636 0.227364 I\n0.772636 0.227364 0.772636 I\n0.772636 0.772636 0.227364 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Tl",
"I"
],
"chemical_system": "Al-I-Rb-Tl",
"density": 4.207079504000311,
"density_atomic": 0.021771102105862715,
"volume": 459.3244729354841,
"volume_molar": 27.661166305302956,
"formula_full": "Rb2 Al1 Tl1 I6",
"formula_reduced": "Rb2AlTlI6",
"formula_anonymous": "ABC2D6",
"energy": -28.87774759,
"energy_per_atom": -2.887774759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.60374759,
"band_gap": 1.8326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.192000Z",
"spacegroup": 225
},
{
"id": "mp-1111721",
"created_at": "2022-09-04T14:47:00.407313Z",
"structure_string": "Rb2 As1 Au1 Br6\n1.0\n0.000000 5.490074 5.490074\n5.490074 0.000000 5.490074\n5.490074 5.490074 0.000000\nRb As Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.754936 0.245064 0.245064 Br\n0.245064 0.245064 0.754936 Br\n0.245064 0.754936 0.754936 Br\n0.245064 0.754936 0.245064 Br\n0.754936 0.245064 0.754936 Br\n0.754936 0.754936 0.245064 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"As",
"Au",
"Br"
],
"chemical_system": "As-Au-Br-Rb",
"density": 4.6273475563824915,
"density_atomic": 0.03021589129982214,
"volume": 330.9516803847803,
"volume_molar": 19.930376040356776,
"formula_full": "Rb2 As1 Au1 Br6",
"formula_reduced": "Rb2AsAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.76271257,
"energy_per_atom": -3.1762712570000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.55871257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.970000Z",
"spacegroup": 225
},
{
"id": "mp-1111626",
"created_at": "2022-09-04T14:42:58.632815Z",
"structure_string": "Rb2 As1 Au1 Cl6\n1.0\n0.000000 5.221312 5.221312\n5.221312 0.000000 5.221312\n5.221312 5.221312 0.000000\nRb As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.757878 0.242122 0.242122 Cl\n0.242122 0.242122 0.757878 Cl\n0.242122 0.757878 0.757878 Cl\n0.242122 0.757878 0.242122 Cl\n0.757878 0.242122 0.757878 Cl\n0.757878 0.757878 0.242122 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"As",
"Au",
"Cl"
],
"chemical_system": "As-Au-Cl-Rb",
"density": 3.823671153530945,
"density_atomic": 0.03512619180559409,
"volume": 284.6878493218109,
"volume_molar": 17.14430301277616,
"formula_full": "Rb2 As1 Au1 Cl6",
"formula_reduced": "Rb2AsAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.24875566,
"energy_per_atom": -3.524875566,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.564755660000003,
"band_gap": 0.2593000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.685000Z",
"spacegroup": 225
},
{
"id": "mp-1110595",
"created_at": "2022-09-04T14:43:40.998582Z",
"structure_string": "Rb2 As1 Au1 F6\n1.0\n0.000000 4.556687 4.556687\n4.556687 0.000000 4.556687\n4.556687 4.556687 0.000000\nRb As Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.774219 0.225781 0.225781 F\n0.225781 0.225781 0.774219 F\n0.225781 0.774219 0.774219 F\n0.225781 0.774219 0.225781 F\n0.774219 0.225781 0.774219 F\n0.774219 0.774219 0.225781 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"As",
"Au",
"F"
],
"chemical_system": "As-Au-F-Rb",
"density": 4.886318833612884,
"density_atomic": 0.05284725218577833,
"volume": 189.2245970489851,
"volume_molar": 11.395371586832688,
"formula_full": "Rb2 As1 Au1 F6",
"formula_reduced": "Rb2AsAuF6",
"formula_anonymous": "ABC2D6",
"energy": -43.95367537,
"energy_per_atom": -4.395367537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.18167537,
"band_gap": 0.8073000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.015000Z",
"spacegroup": 225
},
{
"id": "mp-1111796",
"created_at": "2022-09-04T14:46:32.424311Z",
"structure_string": "Rb2 As1 Au1 I6\n1.0\n0.000000 5.865402 5.865402\n5.865402 0.000000 5.865402\n5.865402 5.865402 0.000000\nRb As Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.752205 0.247795 0.247795 I\n0.247795 0.247795 0.752205 I\n0.247795 0.752205 0.752205 I\n0.247795 0.752205 0.247795 I\n0.752205 0.247795 0.752205 I\n0.752205 0.752205 0.247795 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"As",
"Au",
"I"
],
"chemical_system": "As-Au-I-Rb",
"density": 4.954988152456576,
"density_atomic": 0.02477859375872623,
"volume": 403.5741534556746,
"volume_molar": 24.303803592079127,
"formula_full": "Rb2 As1 Au1 I6",
"formula_reduced": "Rb2AsAuI6",
"formula_anonymous": "ABC2D6",
"energy": -27.80778866,
"energy_per_atom": -2.780778866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.53378866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.771000Z",
"spacegroup": 225
},
{
"id": "mp-1378888",
"created_at": "2022-09-04T14:42:50.952657Z",
"structure_string": "Rb1 As4 H3 O12\n1.0\n5.269374 0.000000 0.000000\n-0.663621 7.219901 0.000000\n-0.618809 -3.617556 7.096663\nRb As H O\n1 4 3 12\ndirect\n0.003089 0.005493 0.998692 Rb\n0.845157 0.311918 0.321169 As\n0.147509 0.675660 0.689347 As\n0.399937 0.119589 0.566088 As\n0.596926 0.874119 0.437403 As\n0.490722 0.342295 0.700120 H\n0.508440 0.657324 0.297461 H\n0.976864 0.500124 0.020392 H\n0.886988 0.531467 0.115297 O\n0.091364 0.465679 0.889983 O\n0.780110 0.107875 0.263886 O\n0.220226 0.889375 0.735886 O\n0.584652 0.368161 0.396197 O\n0.413829 0.631575 0.607562 O\n0.313893 0.038335 0.378051 O\n0.690103 0.965274 0.619646 O\n0.112444 0.289991 0.487175 O\n0.888689 0.712853 0.510354 O\n0.495766 0.188858 0.754411 O\n0.500293 0.810034 0.245881 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"As",
"H",
"O"
],
"chemical_system": "As-H-O-Rb",
"density": 3.5682931835057077,
"density_atomic": 0.07407736856343772,
"volume": 269.98799212032725,
"volume_molar": 8.129528460291908,
"formula_full": "Rb1 As4 H3 O12",
"formula_reduced": "RbAs4(HO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -61.55900179,
"energy_per_atom": -3.0779500895000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.77800179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4290747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.446000Z",
"spacegroup": 1
}
]
}