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=-nelements&page=11525",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=11523",
"results": [
{
"id": "mp-983062",
"created_at": "2022-09-04T14:46:14.252810Z",
"structure_string": "K3 Cd1\n1.0\n0.000000 4.685085 4.685085\n4.685085 0.000000 4.685085\n4.685085 4.685085 0.000000\nK Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Cd"
],
"chemical_system": "Cd-K",
"density": 1.8545512025177564,
"density_atomic": 0.019448117600895307,
"volume": 205.67543255784597,
"volume_molar": 30.965160143430882,
"formula_full": "K3 Cd1",
"formula_reduced": "K3Cd",
"formula_anonymous": "AB3",
"energy": -4.14184849,
"energy_per_atom": -1.0354621225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.14184849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.034000Z",
"spacegroup": 225
},
{
"id": "mp-1205321",
"created_at": "2022-09-04T14:46:10.584327Z",
"structure_string": "Pt8 S8\n1.0\n6.499393 0.000000 0.000000\n0.000000 6.499393 0.000000\n0.000000 0.000000 6.662467\nPt S\n8 8\ndirect\n0.000000 0.000000 0.250000 Pt\n0.000000 0.000000 0.750000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.529297 0.256461 0.500000 Pt\n0.470703 0.743539 0.500000 Pt\n0.256461 0.470703 0.000000 Pt\n0.743539 0.529297 0.000000 Pt\n0.806759 0.307578 0.273258 S\n0.193241 0.692422 0.273258 S\n0.307578 0.193241 0.773258 S\n0.692422 0.806759 0.773258 S\n0.193241 0.692422 0.726742 S\n0.806759 0.307578 0.726742 S\n0.692422 0.806759 0.226742 S\n0.307578 0.193241 0.226742 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pt",
"S"
],
"chemical_system": "Pt-S",
"density": 10.721838125029,
"density_atomic": 0.05685115797751483,
"volume": 281.43665967768237,
"volume_molar": 10.592819872520122,
"formula_full": "Pt8 S8",
"formula_reduced": "PtS",
"formula_anonymous": "AB",
"energy": -91.52406957,
"energy_per_atom": -5.720254348125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.50006957,
"band_gap": 0.1882000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.779000Z",
"spacegroup": 84
},
{
"id": "mp-1080261",
"created_at": "2022-09-04T14:46:06.130512Z",
"structure_string": "Ce4 Se8\n1.0\n6.703671 9.379440 0.000000\n-6.703671 9.379440 0.000000\n0.000000 3.163971 7.770042\nCe Se\n4 8\ndirect\n0.746833 0.962893 0.330131 Ce\n0.037107 0.253167 0.169869 Ce\n0.253167 0.037107 0.669869 Ce\n0.962893 0.746833 0.830131 Ce\n0.180866 0.819134 0.750000 Se\n0.819134 0.180866 0.250000 Se\n0.220698 0.109414 0.964420 Se\n0.890586 0.779302 0.535580 Se\n0.779302 0.890586 0.035580 Se\n0.109414 0.220698 0.464420 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 2.0259785884722374,
"density_atomic": 0.012281128696609375,
"volume": 977.1088876638032,
"volume_molar": 49.035727161320416,
"formula_full": "Ce4 Se8",
"formula_reduced": "CeSe2",
"formula_anonymous": "AB2",
"energy": -68.53497286,
"energy_per_atom": -5.711247738333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.75897286,
"band_gap": 0.9878,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0272025,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.942000Z",
"spacegroup": 15
},
{
"id": "mp-1187141",
"created_at": "2022-09-04T14:46:16.816499Z",
"structure_string": "Sr3 Ta1\n1.0\n-2.699888 2.699888 5.313731\n2.699888 -2.699888 5.313731\n2.699888 2.699888 -5.313731\nSr Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ta"
],
"chemical_system": "Sr-Ta",
"density": 4.75656080500282,
"density_atomic": 0.025817188023903394,
"volume": 154.9355412485866,
"volume_molar": 23.326090953144366,
"formula_full": "Sr3 Ta1",
"formula_reduced": "Sr3Ta",
"formula_anonymous": "AB3",
"energy": -13.31086602,
"energy_per_atom": -3.327716505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.31086602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0164246,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.836000Z",
"spacegroup": 139
},
{
"id": "mp-19275",
"created_at": "2022-09-04T14:46:10.580634Z",
"structure_string": "Co4 O4\n1.0\n-4.214120 0.002379 0.004406\n0.000953 -3.183117 -3.183349\n2.108740 -4.563800 1.376727\nCo O\n4 4\ndirect\n0.250979 0.249008 0.501984 Co\n0.499014 0.500999 0.998001 Co\n0.750948 0.749051 0.501902 Co\n0.999058 0.000943 0.998108 Co\n0.749688 0.250284 0.499377 O\n0.249692 0.750321 0.499393 O\n0.500315 0.999672 0.000624 O\n0.000305 0.499722 0.000610 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 6.244491165818308,
"density_atomic": 0.10037075264277158,
"volume": 79.70449348400037,
"volume_molar": 5.999895987064412,
"formula_full": "Co4 O4",
"formula_reduced": "CoO",
"formula_anonymous": "AB",
"energy": -57.44706609000001,
"energy_per_atom": -7.180883261250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.14706609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001526,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.217000Z",
"spacegroup": 139
},
{
"id": "mp-972310",
"created_at": "2022-09-04T14:46:14.212683Z",
"structure_string": "Tb6 Si2\n1.0\n3.361733 -5.822692 0.000000\n3.361733 5.822692 0.000000\n0.000000 0.000000 5.101080\nTb Si\n6 2\ndirect\n0.177555 0.355110 0.250000 Tb\n0.644890 0.822445 0.250000 Tb\n0.177555 0.822445 0.250000 Tb\n0.822445 0.644890 0.750000 Tb\n0.355110 0.177555 0.750000 Tb\n0.822445 0.177555 0.750000 Tb\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 8.395996014300588,
"density_atomic": 0.04005998859369679,
"volume": 199.70050618683288,
"volume_molar": 15.03280697625448,
"formula_full": "Tb6 Si2",
"formula_reduced": "Tb3Si",
"formula_anonymous": "AB3",
"energy": -40.50524111,
"energy_per_atom": -5.06315513875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.64724111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.119000Z",
"spacegroup": 194
},
{
"id": "mp-685158",
"created_at": "2022-09-04T14:46:14.224684Z",
"structure_string": "Cu16 I19\n1.0\n2.126211 3.660111 0.000000\n-2.126211 3.660111 0.000000\n0.000000 2.316071 67.035136\nCu I\n16 19\ndirect\n0.333528 0.333528 0.932236 Cu\n0.722254 0.722254 0.829253 Cu\n0.068302 0.068302 0.723905 Cu\n0.750973 0.750973 0.670124 Cu\n0.434940 0.434940 0.617269 Cu\n0.119357 0.119357 0.564628 Cu\n0.803508 0.803508 0.512014 Cu\n0.487380 0.487380 0.459376 Cu\n0.171782 0.171782 0.406753 Cu\n0.855822 0.855822 0.354096 Cu\n0.540092 0.540092 0.301456 Cu\n0.224443 0.224443 0.248809 Cu\n0.908653 0.908653 0.196146 Cu\n0.592800 0.592800 0.143520 Cu\n0.276940 0.276940 0.090616 Cu\n0.960147 0.960147 0.036538 Cu\n0.993513 0.993513 0.999888 I\n0.666891 0.666891 0.947061 I\n0.360623 0.360623 0.895323 I\n0.056599 0.056599 0.844386 I\n0.401889 0.401889 0.736032 I\n0.732536 0.732536 0.792250 I\n0.767705 0.767705 0.630625 I\n0.083613 0.083613 0.683216 I\n0.136275 0.136275 0.525546 I\n0.452085 0.452085 0.578087 I\n0.820222 0.820222 0.472969 I\n0.504712 0.504712 0.420369 I\n0.873041 0.873041 0.315133 I\n0.188764 0.188764 0.367753 I\n0.557348 0.557348 0.262526 I\n0.241598 0.241598 0.209926 I\n0.610166 0.610166 0.104910 I\n0.294882 0.294882 0.052418 I\n0.925780 0.925780 0.157371 I\n",
"nsites": 35,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.455653576375263,
"density_atomic": 0.033545551545522655,
"volume": 1043.3574166310427,
"volume_molar": 17.95212921697744,
"formula_full": "Cu16 I19",
"formula_reduced": "Cu16I19",
"formula_anonymous": "A16B19",
"energy": -106.13750066,
"energy_per_atom": -3.0325000188571427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.93650066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.02781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.055000Z",
"spacegroup": 8
},
{
"id": "mp-1232036",
"created_at": "2022-09-04T14:46:10.270834Z",
"structure_string": "In2 Se4\n1.0\n3.894893 0.000000 0.000000\n0.000000 3.894893 0.000000\n0.000000 0.000000 9.626231\nIn Se\n2 4\ndirect\n0.000000 0.500000 0.706468 In\n0.500000 0.000000 0.293532 In\n0.000000 0.500000 0.366212 Se\n0.500000 0.000000 0.633788 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Se"
],
"chemical_system": "In-Se",
"density": 6.2026518154809605,
"density_atomic": 0.04108695047738604,
"volume": 146.03176751466032,
"volume_molar": 14.657064323414662,
"formula_full": "In2 Se4",
"formula_reduced": "InSe2",
"formula_anonymous": "AB2",
"energy": -22.45663143,
"energy_per_atom": -3.742771905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.56863143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.005000Z",
"spacegroup": 129
},
{
"id": "mp-641509",
"created_at": "2022-09-04T14:46:19.545481Z",
"structure_string": "In9 Ni13\n1.0\n4.228983 5.263345 0.000000\n-4.228983 5.263345 0.000000\n0.000000 5.247176 7.412806\nIn Ni\n9 13\ndirect\n0.252026 0.831022 0.190109 In\n0.172193 0.172193 0.385719 In\n0.285180 0.285180 0.667750 In\n0.831022 0.252026 0.190109 In\n0.714820 0.714820 0.332250 In\n0.500000 0.500000 0.000000 In\n0.747974 0.168978 0.809891 In\n0.168978 0.747974 0.809891 In\n0.827807 0.827807 0.614281 In\n0.546034 0.064943 0.159182 Ni\n0.500000 0.000000 0.500000 Ni\n0.544696 0.544696 0.677096 Ni\n0.064943 0.546034 0.159182 Ni\n0.455304 0.455304 0.322904 Ni\n0.266414 0.733586 0.500000 Ni\n0.258637 0.258637 0.979521 Ni\n0.935057 0.453966 0.840818 Ni\n0.741363 0.741363 0.020479 Ni\n0.453966 0.935057 0.840818 Ni\n0.733586 0.266414 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 22,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.039324611666226,
"density_atomic": 0.06666720893558724,
"volume": 329.9973157906766,
"volume_molar": 9.033137664152843,
"formula_full": "In9 Ni13",
"formula_reduced": "In9Ni13",
"formula_anonymous": "A9B13",
"energy": -102.30703624,
"energy_per_atom": -4.650319829090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.30703624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.580000Z",
"spacegroup": 12
},
{
"id": "mp-760312",
"created_at": "2022-09-04T14:46:17.629144Z",
"structure_string": "V8 F40\n1.0\n18.177937 0.000000 0.000000\n0.000000 5.342822 0.000000\n0.000000 5.329660 7.779528\nV F\n8 40\ndirect\n0.121017 0.116048 0.121309 V\n0.375070 0.265296 0.973195 V\n0.621017 0.883952 0.378691 V\n0.875070 0.734704 0.526805 V\n0.124930 0.265296 0.473195 V\n0.378983 0.116048 0.621309 V\n0.624930 0.734704 0.026805 V\n0.878983 0.883952 0.878691 V\n0.355296 0.496617 0.523833 F\n0.149516 0.457075 0.566749 F\n0.136961 0.112812 0.940646 F\n0.356714 0.902862 0.152330 F\n0.597431 0.888314 0.164618 F\n0.904024 0.315175 0.741014 F\n0.289388 0.334698 0.867218 F\n0.208130 0.979978 0.220783 F\n0.524912 0.828067 0.407404 F\n0.970391 0.746885 0.489434 F\n0.470391 0.253115 0.010566 F\n0.024912 0.171933 0.092596 F\n0.708130 0.020022 0.279217 F\n0.789388 0.665302 0.632782 F\n0.404024 0.684825 0.758986 F\n0.097431 0.111686 0.335382 F\n0.856714 0.097138 0.347670 F\n0.636961 0.887188 0.559354 F\n0.649516 0.542925 0.933251 F\n0.855296 0.503383 0.976167 F\n0.144704 0.496617 0.023833 F\n0.350484 0.457075 0.066749 F\n0.363039 0.112812 0.440646 F\n0.143286 0.902862 0.652330 F\n0.902569 0.888314 0.664618 F\n0.595976 0.315175 0.241014 F\n0.210612 0.334698 0.367218 F\n0.291870 0.979978 0.720783 F\n0.975088 0.828067 0.907404 F\n0.529609 0.746885 0.989434 F\n0.029609 0.253115 0.510566 F\n0.475088 0.171933 0.592596 F\n0.791870 0.020022 0.779217 F\n0.710612 0.665302 0.132782 F\n0.095976 0.684825 0.258986 F\n0.402569 0.111686 0.835382 F\n0.643286 0.097138 0.847670 F\n0.863039 0.887188 0.059354 F\n0.850484 0.542925 0.433251 F\n0.644704 0.503383 0.476167 F\n",
"nsites": 48,
"nelements": 2,
"elements": [
"V",
"F"
],
"chemical_system": "F-V",
"density": 2.5658164360848614,
"density_atomic": 0.06352909806311126,
"volume": 755.559286428334,
"volume_molar": 9.479342448742885,
"formula_full": "V8 F40",
"formula_reduced": "VF5",
"formula_anonymous": "AB5",
"energy": -283.57897729,
"energy_per_atom": -5.907895360208333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.49897729000003,
"band_gap": 2.8386,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.015000Z",
"spacegroup": 14
},
{
"id": "mp-30838",
"created_at": "2022-09-04T14:46:17.631641Z",
"structure_string": "Th4 Pd4\n1.0\n4.589621 0.000000 0.000000\n0.000000 5.897895 0.000000\n0.000000 0.000000 7.289618\nTh Pd\n4 4\ndirect\n0.250000 0.141411 0.178759 Th\n0.750000 0.858589 0.821241 Th\n0.750000 0.641411 0.321241 Th\n0.250000 0.358589 0.678759 Th\n0.250000 0.649761 0.046604 Pd\n0.750000 0.350239 0.953396 Pd\n0.750000 0.149761 0.453396 Pd\n0.250000 0.850239 0.546604 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Pd"
],
"chemical_system": "Pd-Th",
"density": 11.392927102638508,
"density_atomic": 0.040542577537800786,
"volume": 197.32341863417588,
"volume_molar": 14.853867528242676,
"formula_full": "Th4 Pd4",
"formula_reduced": "ThPd",
"formula_anonymous": "AB",
"energy": -56.51197188,
"energy_per_atom": -7.063996485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.51197188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.566000Z",
"spacegroup": 62
},
{
"id": "mp-1073366",
"created_at": "2022-09-04T14:46:19.458327Z",
"structure_string": "Mg4 Si8\n1.0\n2.778055 0.000000 0.000000\n0.000000 7.709676 0.000000\n0.000000 2.044821 9.087962\nMg Si\n4 8\ndirect\n0.000000 0.146144 0.860716 Mg\n0.000000 0.289743 0.368519 Mg\n0.000000 0.853856 0.139284 Mg\n0.000000 0.710257 0.631481 Mg\n0.500000 0.810827 0.874944 Si\n0.500000 0.955226 0.378612 Si\n0.500000 0.531893 0.125682 Si\n0.500000 0.382916 0.616968 Si\n0.500000 0.189173 0.125056 Si\n0.500000 0.044774 0.621388 Si\n0.500000 0.468107 0.874318 Si\n0.500000 0.617084 0.383032 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.7461989800037396,
"density_atomic": 0.06165066660221479,
"volume": 194.64509730976536,
"volume_molar": 9.768168118694202,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -47.09818663,
"energy_per_atom": -3.9248488858333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.66618663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.602000Z",
"spacegroup": 10
}
]
}