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=-chemical_system&page=139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=137",
"results": [
{
"id": "mp-1924",
"created_at": "2022-09-04T14:42:20.380920Z",
"structure_string": "Tb4 Si4\n1.0\n3.850033 0.000000 0.000000\n0.000000 5.727806 0.000000\n0.000000 0.000000 7.962774\nTb Si\n4 4\ndirect\n0.250000 0.385450 0.679447 Tb\n0.750000 0.614550 0.320553 Tb\n0.750000 0.885450 0.820553 Tb\n0.250000 0.114550 0.179447 Tb\n0.250000 0.871509 0.537557 Si\n0.750000 0.128491 0.462443 Si\n0.750000 0.371509 0.962443 Si\n0.250000 0.628491 0.037557 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 7.073897313116735,
"density_atomic": 0.045558859666266875,
"volume": 175.59702017571428,
"volume_molar": 13.218374656683892,
"formula_full": "Tb4 Si4",
"formula_reduced": "TbSi",
"formula_anonymous": "AB",
"energy": -46.5514271,
"energy_per_atom": -5.8189283875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.8354271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0142615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.899000Z",
"spacegroup": 62
},
{
"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-9095",
"created_at": "2022-09-04T14:46:16.111034Z",
"structure_string": "Tb4 Si6\n1.0\n2.118843 -12.035084 0.000000\n2.118843 12.035084 0.000000\n0.000000 0.000000 4.284060\nTb Si\n4 6\ndirect\n0.253625 0.746375 0.250000 Tb\n0.746375 0.253625 0.750000 Tb\n0.617881 0.382119 0.250000 Tb\n0.382119 0.617881 0.750000 Tb\n0.478504 0.521496 0.250000 Si\n0.521496 0.478504 0.750000 Si\n0.835873 0.164127 0.250000 Si\n0.164127 0.835873 0.750000 Si\n0.068323 0.931677 0.750000 Si\n0.931677 0.068323 0.250000 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 6.112058446330772,
"density_atomic": 0.04576848699783385,
"volume": 218.49094553799176,
"volume_molar": 13.157832288152806,
"formula_full": "Tb4 Si6",
"formula_reduced": "Tb2Si3",
"formula_anonymous": "A2B3",
"energy": -53.71424376,
"energy_per_atom": -5.371424376,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.14024376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.294000Z",
"spacegroup": 63
},
{
"id": "mp-1200515",
"created_at": "2022-09-04T14:43:49.028496Z",
"structure_string": "Tb20 Si16\n1.0\n7.462482 0.000000 0.000000\n0.000000 7.718943 0.000000\n0.000000 0.000000 14.687919\nTb Si\n20 16\ndirect\n0.678600 0.181072 0.622673 Tb\n0.178600 0.318928 0.877327 Tb\n0.321400 0.818928 0.122673 Tb\n0.821400 0.681072 0.377327 Tb\n0.321400 0.818928 0.377327 Tb\n0.821400 0.681072 0.122673 Tb\n0.678600 0.181072 0.877327 Tb\n0.178600 0.318928 0.622673 Tb\n0.527523 0.683472 0.598132 Tb\n0.027523 0.816528 0.901868 Tb\n0.472477 0.316528 0.098132 Tb\n0.972477 0.183472 0.401868 Tb\n0.472477 0.316528 0.401868 Tb\n0.972477 0.183472 0.098132 Tb\n0.527523 0.683472 0.901868 Tb\n0.027523 0.816528 0.598132 Tb\n0.848393 0.513699 0.750000 Tb\n0.348393 0.986301 0.750000 Tb\n0.151607 0.486301 0.250000 Tb\n0.651607 0.013699 0.250000 Tb\n0.646827 0.972373 0.459919 Si\n0.146827 0.527627 0.040081 Si\n0.353173 0.027627 0.959919 Si\n0.853173 0.472373 0.540081 Si\n0.353173 0.027627 0.540081 Si\n0.853173 0.472373 0.959919 Si\n0.646827 0.972373 0.040081 Si\n0.146827 0.527627 0.459919 Si\n0.473659 0.397236 0.750000 Si\n0.973659 0.102764 0.750000 Si\n0.526341 0.602764 0.250000 Si\n0.026341 0.897236 0.250000 Si\n0.731955 0.875340 0.750000 Si\n0.231955 0.624660 0.750000 Si\n0.268045 0.124660 0.250000 Si\n0.768045 0.375340 0.250000 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 7.120328212251359,
"density_atomic": 0.04255015058650655,
"volume": 846.060460510245,
"volume_molar": 14.153042179619767,
"formula_full": "Tb20 Si16",
"formula_reduced": "Tb5Si4",
"formula_anonymous": "A4B5",
"energy": -204.90500343,
"energy_per_atom": -5.6918056508333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.04100343,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2577436,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.301000Z",
"spacegroup": 62
},
{
"id": "mp-1215255",
"created_at": "2022-09-04T14:45:12.446730Z",
"structure_string": "Zr4 Ta4 Si4\n1.0\n2.726218 -4.548554 0.000000\n2.726218 4.548554 0.000000\n0.000000 0.000000 8.815992\nZr Ta Si\n4 4 4\ndirect\n0.668110 0.331890 0.318637 Zr\n0.333223 0.666777 0.197850 Zr\n0.333223 0.666777 0.802150 Zr\n0.668110 0.331890 0.681363 Zr\n0.162561 0.837439 0.500000 Ta\n0.342113 0.169774 0.000000 Ta\n0.830226 0.657887 0.000000 Ta\n0.832807 0.167193 0.000000 Ta\n0.003822 0.996178 0.249287 Si\n0.003822 0.996178 0.750713 Si\n0.647924 0.825912 0.500000 Si\n0.174088 0.352076 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Si"
],
"chemical_system": "Si-Ta-Zr",
"density": 9.121529363091142,
"density_atomic": 0.05488404693665584,
"volume": 218.64276907003125,
"volume_molar": 10.972479429132521,
"formula_full": "Zr4 Ta4 Si4",
"formula_reduced": "ZrTaSi",
"formula_anonymous": "ABC",
"energy": -107.31426281,
"energy_per_atom": -8.942855234166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.59826281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.543000Z",
"spacegroup": 38
},
{
"id": "mp-1217773",
"created_at": "2022-09-04T14:41:20.271196Z",
"structure_string": "Ta1 Si10 W4\n1.0\n-1.620308 1.620308 19.874032\n1.620308 -1.620308 19.874032\n1.620308 1.620308 -19.874032\nTa Si W\n1 10 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.534407 0.534407 0.000000 Si\n0.133428 0.133428 0.000000 Si\n0.733069 0.733069 0.000000 Si\n0.332849 0.332849 0.000000 Si\n0.932413 0.932413 0.000000 Si\n0.067587 0.067587 0.000000 Si\n0.667151 0.667151 0.000000 Si\n0.266931 0.266931 0.000000 Si\n0.866572 0.866572 0.000000 Si\n0.465593 0.465593 0.000000 Si\n0.601066 0.601066 0.000000 W\n0.200205 0.200205 0.000000 W\n0.799795 0.799795 0.000000 W\n0.398934 0.398934 0.000000 W\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ta",
"Si",
"W"
],
"chemical_system": "Si-Ta-W",
"density": 9.52491724755503,
"density_atomic": 0.07187041133277204,
"volume": 208.7089766405745,
"volume_molar": 8.379165568033944,
"formula_full": "Ta1 Si10 W4",
"formula_reduced": "Ta(Si5W2)2",
"formula_anonymous": "AB4C10",
"energy": -122.51333564,
"energy_per_atom": -8.167555709333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.22333564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.065000Z",
"spacegroup": 139
},
{
"id": "mp-1095672",
"created_at": "2022-09-04T14:45:05.602923Z",
"structure_string": "Ta4 V6 Si2\n1.0\n2.475723 -4.288079 0.000000\n2.475723 4.288079 0.000000\n0.000000 0.000000 8.371486\nTa V Si\n4 6 2\ndirect\n0.333333 0.666667 0.938138 Ta\n0.666667 0.333333 0.061862 Ta\n0.666667 0.333333 0.438138 Ta\n0.333333 0.666667 0.561862 Ta\n0.170378 0.829622 0.250000 V\n0.170378 0.340755 0.250000 V\n0.659245 0.829622 0.250000 V\n0.829622 0.170378 0.750000 V\n0.829622 0.659245 0.750000 V\n0.340755 0.170378 0.750000 V\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"V",
"Si"
],
"chemical_system": "Si-Ta-V",
"density": 10.142059650251488,
"density_atomic": 0.06751244957080525,
"volume": 177.74499483113436,
"volume_molar": 8.920044818821363,
"formula_full": "Ta4 V6 Si2",
"formula_reduced": "Ta2V3Si",
"formula_anonymous": "AB2C3",
"energy": -116.68536439,
"energy_per_atom": -9.723780365833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.82736439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055581,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.931000Z",
"spacegroup": 194
},
{
"id": "mp-17806",
"created_at": "2022-09-04T14:45:10.193955Z",
"structure_string": "Ta4 V8 Si10\n1.0\n-2.576253 3.770922 8.177647\n2.576253 -3.770922 8.177647\n2.576253 3.770922 -8.177647\nTa V Si\n4 8 10\ndirect\n0.688610 0.938610 0.250000 Ta\n0.688610 0.438610 0.750000 Ta\n0.311390 0.061390 0.750000 Ta\n0.311390 0.561390 0.250000 Ta\n0.026280 0.644177 0.382103 V\n0.683727 0.435321 0.248406 V\n0.737926 0.855823 0.882103 V\n0.262074 0.144177 0.117897 V\n0.186915 0.935321 0.251594 V\n0.813085 0.064679 0.748406 V\n0.316273 0.564679 0.751594 V\n0.973720 0.355823 0.617897 V\n0.653810 0.559909 0.093901 Si\n0.013221 0.208914 0.804308 Si\n0.404606 0.708914 0.695692 Si\n0.595394 0.291086 0.304308 Si\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.986779 0.791086 0.195692 Si\n0.466008 0.059909 0.406099 Si\n0.346190 0.440091 0.906099 Si\n0.533992 0.940091 0.593901 Si\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"V",
"Si"
],
"chemical_system": "Si-Ta-V",
"density": 7.379285071082114,
"density_atomic": 0.06923062781572167,
"volume": 317.77842689163066,
"volume_molar": 8.698665532876223,
"formula_full": "Ta4 V8 Si10",
"formula_reduced": "Ta2V4Si5",
"formula_anonymous": "A2B4C5",
"energy": -182.15122277,
"energy_per_atom": -8.279601035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.86122277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7536155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.827000Z",
"spacegroup": 72
},
{
"id": "mp-1218038",
"created_at": "2022-09-04T14:46:33.863544Z",
"structure_string": "Ta3 V7 Si6\n1.0\n3.649712 -6.321486 0.000000\n3.649712 6.321486 0.000000\n0.000000 0.000000 4.894863\nTa V Si\n3 7 6\ndirect\n0.229085 0.000000 0.000000 Ta\n0.000000 0.229085 0.000000 Ta\n0.770915 0.770915 0.000000 Ta\n0.333333 0.666667 0.746600 V\n0.666667 0.333333 0.746600 V\n0.666667 0.333333 0.253400 V\n0.333333 0.666667 0.253400 V\n0.736283 0.000000 0.500000 V\n0.000000 0.736283 0.500000 V\n0.263717 0.263717 0.500000 V\n0.389682 0.000000 0.500000 Si\n0.000000 0.389682 0.500000 Si\n0.610318 0.610318 0.500000 Si\n0.591564 0.000000 0.000000 Si\n0.000000 0.591564 0.000000 Si\n0.408436 0.408436 0.000000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"V",
"Si"
],
"chemical_system": "Si-Ta-V",
"density": 7.851462157864927,
"density_atomic": 0.0708388773666319,
"volume": 225.86467480548578,
"volume_molar": 8.50118040243913,
"formula_full": "Ta3 V7 Si6",
"formula_reduced": "Ta3V7Si6",
"formula_anonymous": "A3B6C7",
"energy": -140.49622368,
"energy_per_atom": -8.78101398,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.92222368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3495527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.416000Z",
"spacegroup": 189
},
{
"id": "mp-1217836",
"created_at": "2022-09-04T14:41:14.102200Z",
"structure_string": "Ta3 V3 Si12\n1.0\n13.005312 0.000000 0.000000\n0.000000 4.681902 0.000000\n0.000000 2.323857 4.090270\nTa V Si\n3 3 12\ndirect\n0.082629 0.500000 0.500000 Ta\n0.585380 0.500000 0.500000 Ta\n0.248568 0.000000 0.500000 Ta\n0.749030 0.000000 0.500000 V\n0.418387 0.500000 0.000000 V\n0.916033 0.500000 0.000000 V\n0.078511 0.834480 0.845064 Si\n0.584679 0.836555 0.837605 Si\n0.253285 0.323224 0.843928 Si\n0.753369 0.321081 0.846813 Si\n0.417858 0.842256 0.316175 Si\n0.912285 0.845042 0.323448 Si\n0.078511 0.165520 0.154936 Si\n0.584679 0.163445 0.162395 Si\n0.253285 0.676776 0.156072 Si\n0.753369 0.678919 0.153187 Si\n0.417858 0.157744 0.683825 Si\n0.912285 0.154958 0.676552 Si\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"V",
"Si"
],
"chemical_system": "Si-Ta-V",
"density": 6.885345518953533,
"density_atomic": 0.07227322490593857,
"volume": 249.05488890839533,
"volume_molar": 8.332464433180663,
"formula_full": "Ta3 V3 Si12",
"formula_reduced": "TaVSi4",
"formula_anonymous": "ABC4",
"energy": -135.33857736,
"energy_per_atom": -7.518809853333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.19057736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018949,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.948000Z",
"spacegroup": 3
},
{
"id": "mp-28509",
"created_at": "2022-09-04T14:41:04.098216Z",
"structure_string": "Ta16 Si4 Te16\n1.0\n4.835550 0.000000 0.000000\n0.000000 11.157572 0.000000\n0.000000 0.000000 19.280829\nTa Si Te\n16 4 16\ndirect\n0.000000 0.596193 0.605893 Ta\n0.000000 0.403807 0.394107 Ta\n0.000000 0.096193 0.894107 Ta\n0.000000 0.903807 0.105893 Ta\n0.000000 0.316546 0.555651 Ta\n0.000000 0.683454 0.444349 Ta\n0.000000 0.816546 0.944349 Ta\n0.000000 0.183454 0.055651 Ta\n0.500000 0.302231 0.464450 Ta\n0.500000 0.697769 0.535550 Ta\n0.500000 0.802231 0.035550 Ta\n0.500000 0.197769 0.964450 Ta\n0.500000 0.438247 0.614178 Ta\n0.500000 0.561753 0.385822 Ta\n0.500000 0.938247 0.885822 Ta\n0.500000 0.061753 0.114178 Ta\n0.250008 0.500000 0.500000 Si\n0.749992 0.000000 0.000000 Si\n0.749992 0.500000 0.500000 Si\n0.250008 0.000000 0.000000 Si\n0.000000 0.393919 0.697086 Te\n0.000000 0.606081 0.302914 Te\n0.000000 0.893919 0.802914 Te\n0.000000 0.106081 0.197086 Te\n0.500000 0.183536 0.596217 Te\n0.500000 0.816464 0.403783 Te\n0.500000 0.683536 0.903783 Te\n0.500000 0.316464 0.096217 Te\n0.500000 0.665357 0.682737 Te\n0.500000 0.334643 0.317263 Te\n0.500000 0.165357 0.817263 Te\n0.500000 0.834643 0.182737 Te\n0.000000 0.341176 0.938395 Te\n0.000000 0.658824 0.061605 Te\n0.000000 0.841176 0.561605 Te\n0.000000 0.158824 0.438395 Te\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Te"
],
"chemical_system": "Si-Ta-Te",
"density": 8.059766971376376,
"density_atomic": 0.03460678234487761,
"volume": 1040.258514681837,
"volume_molar": 17.40162000611819,
"formula_full": "Ta16 Si4 Te16",
"formula_reduced": "Ta4SiTe4",
"formula_anonymous": "AB4C4",
"energy": -287.02756643000004,
"energy_per_atom": -7.97298795638889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.55956643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0157995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.976000Z",
"spacegroup": 55
},
{
"id": "mp-505206",
"created_at": "2022-09-04T14:42:06.980016Z",
"structure_string": "Ta12 Si4 Te24\n1.0\n6.409516 0.000000 0.000000\n0.000000 11.573441 0.000000\n0.000000 0.000000 15.025444\nTa Si Te\n12 4 24\ndirect\n0.666202 0.335511 0.250000 Ta\n0.166202 0.164489 0.250000 Ta\n0.833798 0.835511 0.750000 Ta\n0.333798 0.664489 0.750000 Ta\n0.968342 0.687801 0.250000 Ta\n0.468342 0.812199 0.250000 Ta\n0.531658 0.187801 0.750000 Ta\n0.031658 0.312199 0.750000 Ta\n0.697648 0.032784 0.250000 Ta\n0.197648 0.467216 0.250000 Ta\n0.802352 0.532784 0.750000 Ta\n0.302352 0.967216 0.750000 Ta\n0.575369 0.575297 0.250000 Si\n0.075369 0.924703 0.250000 Si\n0.924631 0.075297 0.750000 Si\n0.424631 0.424703 0.750000 Si\n0.796140 0.843538 0.124678 Te\n0.296140 0.656462 0.375322 Te\n0.703860 0.343538 0.875322 Te\n0.203860 0.156462 0.624678 Te\n0.203860 0.156462 0.875322 Te\n0.703860 0.343538 0.624678 Te\n0.296140 0.656462 0.124678 Te\n0.796140 0.843538 0.375322 Te\n0.855123 0.497214 0.128465 Te\n0.355123 0.002786 0.371535 Te\n0.644877 0.997214 0.871535 Te\n0.144877 0.502786 0.628465 Te\n0.144877 0.502786 0.871535 Te\n0.644877 0.997214 0.628465 Te\n0.355123 0.002786 0.128465 Te\n0.855123 0.497214 0.371535 Te\n0.848610 0.182102 0.122474 Te\n0.348610 0.317898 0.377526 Te\n0.651390 0.682102 0.877526 Te\n0.151390 0.817898 0.622474 Te\n0.151390 0.817898 0.877526 Te\n0.651390 0.682102 0.622474 Te\n0.348610 0.317898 0.122474 Te\n0.848610 0.182102 0.377526 Te\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ta",
"Si",
"Te"
],
"chemical_system": "Si-Ta-Te",
"density": 7.96475586863241,
"density_atomic": 0.035887643255212584,
"volume": 1114.5897688388916,
"volume_molar": 16.78054119400917,
"formula_full": "Ta12 Si4 Te24",
"formula_reduced": "Ta3SiTe6",
"formula_anonymous": "AB3C6",
"energy": -264.75106993,
"energy_per_atom": -6.618776748250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.90706993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004718,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.642000Z",
"spacegroup": 62
}
]
}