HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=167",
"results": [
{
"id": "jvasp-21040",
"created_at": "2022-09-04T14:38:20.354923Z",
"updated_at": "2022-09-04T14:38:20.354942Z",
"structure_string": "Li12 Se6 O24\n1.0\n8.256008 -0.002882 -2.649208\n-3.631549 7.414414 -2.649208\n-0.001798 -0.002882 8.670639\nLi Se O\n12 6 24\ndirect\n0.064717 0.296430 0.892395 Li\n0.377191 0.776602 0.602509 Li\n0.776602 0.602510 0.377191 Li\n0.602510 0.377191 0.776602 Li\n0.223398 0.397490 0.622809 Li\n0.397490 0.622809 0.223398 Li\n0.622809 0.223398 0.397490 Li\n0.107605 0.935282 0.703570 Li\n0.935282 0.703570 0.107605 Li\n0.296429 0.892394 0.064717 Li\n0.892395 0.064718 0.296430 Li\n0.703570 0.107606 0.935282 Li\n0.734803 0.962666 0.551965 Se\n0.265196 0.037334 0.448034 Se\n0.448034 0.265196 0.037333 Se\n0.037333 0.448034 0.265196 Se\n0.962666 0.551966 0.734803 Se\n0.551965 0.734803 0.962666 Se\n0.862023 0.853519 0.534861 O\n0.472861 0.522508 0.810547 O\n0.189453 0.527138 0.477491 O\n0.527138 0.477492 0.189453 O\n0.477492 0.189453 0.527138 O\n0.522508 0.810547 0.472861 O\n0.231709 0.186237 0.894586 O\n0.186236 0.894586 0.231709 O\n0.105414 0.768291 0.813763 O\n0.768291 0.813763 0.105413 O\n0.813763 0.105414 0.768291 O\n0.922920 0.570531 0.252365 O\n0.570531 0.252366 0.922920 O\n0.894586 0.231709 0.186236 O\n0.077080 0.429469 0.747634 O\n0.429469 0.747634 0.077079 O\n0.747634 0.077080 0.429469 O\n0.146480 0.465139 0.137977 O\n0.465139 0.137977 0.146480 O\n0.252365 0.922920 0.570531 O\n0.810547 0.472862 0.522508 O\n0.534861 0.862023 0.853519 O\n0.137977 0.146480 0.465139 O\n0.853520 0.534861 0.862023 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Li",
"Se",
"O"
],
"chemical_system": "Li-O-Se",
"density": 2.945340421885367,
"density_atomic": 0.0791641793844715,
"volume": 530.5429845488746,
"volume_molar": 7.607153648056734,
"formula_full": "Li12 Se6 O24",
"formula_reduced": "Li2SeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.8045039095238091,
"spacegroup": 148
},
{
"id": "jvasp-41051",
"created_at": "2022-09-04T14:38:29.991953Z",
"updated_at": "2022-09-04T14:38:29.991975Z",
"structure_string": "Nd6 Si2 Ag2 S14\n1.0\n0.000000 10.304954 0.001407\n5.767559 0.000000 0.000000\n0.000000 -5.151410 -8.925130\nNd Si Ag S\n6 2 2 14\ndirect\n0.359697 0.249992 0.236163 Nd\n0.640303 0.749992 0.763836 Nd\n0.763834 0.249998 0.123529 Nd\n0.876468 0.249993 0.640308 Nd\n0.123531 0.749994 0.359692 Nd\n0.236165 0.749998 0.876471 Nd\n0.666671 0.663666 0.333336 Si\n0.333329 0.163666 0.666664 Si\n-0.000002 0.288537 -0.000003 Ag\n0.000002 0.788537 0.000003 Ag\n0.908559 0.763410 0.730717 S\n0.822155 0.763403 0.091441 S\n0.730716 0.263410 0.822156 S\n0.269283 0.763410 0.177843 S\n0.114079 0.017660 0.589802 S\n0.410190 0.017665 0.524274 S\n0.333330 0.530602 0.666665 S\n0.885920 0.517660 0.410197 S\n0.475723 0.017662 0.885912 S\n0.524276 0.517662 0.114088 S\n0.091441 0.263410 0.269283 S\n0.666669 0.030602 0.333334 S\n0.589809 0.517665 0.475726 S\n0.177845 0.263403 0.908559 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Nd",
"Si",
"Ag",
"S"
],
"chemical_system": "Ag-Nd-S-Si",
"density": 4.966010304892295,
"density_atomic": 0.045247315113571704,
"volume": 530.4182124344726,
"volume_molar": 13.309388070616569,
"formula_full": "Nd6 Si2 Ag2 S14",
"formula_reduced": "Nd3SiAgS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.001913363333333,
"spacegroup": 173
},
{
"id": "jvasp-117218",
"created_at": "2022-09-04T14:38:49.427263Z",
"updated_at": "2022-09-04T14:38:49.427278Z",
"structure_string": "Cu12 As4 S13\n1.0\n8.295095 -0.016881 -2.924073\n-4.092740 7.213131 -2.925967\n0.001375 0.006012 8.870421\nCu As S\n12 4 13\ndirect\n0.749363 0.494974 0.249707 Cu\n0.752422 0.252420 0.500069 Cu\n0.499729 0.245274 0.750349 Cu\n0.252436 0.752424 0.500039 Cu\n0.245356 0.499734 0.750427 Cu\n0.494944 0.749306 0.249634 Cu\n0.240527 0.044129 0.240473 Cu\n0.765376 0.765421 -0.000008 Cu\n0.043555 0.240270 0.240309 Cu\n0.803559 -0.000036 0.759761 Cu\n0.210746 0.210606 -0.000886 Cu\n0.000110 0.803769 0.759759 Cu\n0.529430 -0.000016 0.000003 As\n0.470155 0.470076 0.469927 As\n0.000232 0.000195 0.530101 As\n-0.000011 0.529399 -0.000031 As\n0.763309 0.523116 0.521272 S\n0.480496 0.003665 0.242087 S\n0.513622 0.513612 0.757022 S\n0.003638 0.480522 0.242081 S\n0.523026 0.763199 0.521166 S\n0.477459 0.240418 -0.000012 S\n0.001870 0.242091 0.478926 S\n0.761565 0.238357 0.757937 S\n0.756596 0.756610 0.242962 S\n0.238398 0.761581 0.757946 S\n0.242053 0.001869 0.478808 S\n0.240384 0.477345 -0.000018 S\n0.986038 0.986063 0.000184 S\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Cu",
"As",
"S"
],
"chemical_system": "As-Cu-S",
"density": 4.630755653706953,
"density_atomic": 0.054677431242982084,
"volume": 530.3833655082724,
"volume_molar": 11.013942358114985,
"formula_full": "Cu12 As4 S13",
"formula_reduced": "Cu12As4S13",
"formula_anonymous": "A4B12C13",
"energy_above_hull": 1.2676118068965516,
"spacegroup": 42
},
{
"id": "jvasp-116687",
"created_at": "2022-09-04T14:38:42.674848Z",
"updated_at": "2022-09-04T14:38:42.674876Z",
"structure_string": "La6 Co1 Si2 S14\n1.0\n10.291446 0.000000 0.000000\n-5.145723 8.912653 0.000000\n-0.000000 -0.000000 5.782303\nLa Co Si S\n6 1 2 14\ndirect\n0.643573 0.874328 0.247691 La\n0.125672 0.769245 0.247691 La\n0.230755 0.356427 0.247691 La\n0.355649 0.127251 0.750369 La\n0.872749 0.228398 0.750369 La\n0.771602 0.644351 0.750369 La\n0.000000 0.000000 0.482793 Co\n0.333334 0.666666 0.827365 Si\n0.666667 0.333333 0.333747 Si\n0.238806 0.082705 0.250312 S\n0.153353 0.238945 0.720242 S\n0.085594 0.846647 0.720242 S\n0.761055 0.914406 0.720242 S\n0.887949 0.473761 0.471793 S\n0.585813 0.112051 0.471793 S\n0.475536 0.587888 0.966538 S\n0.112352 0.524464 0.966538 S\n0.412112 0.887648 0.966538 S\n0.917295 0.156101 0.250312 S\n0.666667 0.333333 0.968700 S\n0.333334 0.666666 0.462719 S\n0.526239 0.414187 0.471793 S\n0.843900 0.761194 0.250312 S\n",
"nsites": 23,
"nelements": 4,
"elements": [
"La",
"Co",
"Si",
"S"
],
"chemical_system": "Co-La-S-Si",
"density": 4.375223110803153,
"density_atomic": 0.04336542356073816,
"volume": 530.3764638153692,
"volume_molar": 13.88696400385739,
"formula_full": "La6 Co1 Si2 S14",
"formula_reduced": "La6Co(SiS7)2",
"formula_anonymous": "AB2C6D14",
"energy_above_hull": 2.543603395652174,
"spacegroup": 143
},
{
"id": "jvasp-98774",
"created_at": "2022-09-04T14:35:43.185748Z",
"updated_at": "2022-09-04T14:35:43.185763Z",
"structure_string": "K4 Ge8 B4 O24\n1.0\n4.817989 0.000000 0.000000\n0.000000 10.213340 0.000000\n0.000000 0.000000 10.776405\nK Ge B O\n4 8 4 24\ndirect\n0.310891 0.529644 0.185704 K\n0.189109 0.470356 0.685704 K\n0.689109 0.029644 0.314297 K\n0.810891 0.970356 0.814297 K\n0.729581 0.300467 0.919049 Ge\n0.229581 0.199533 0.080952 Ge\n0.770419 0.699533 0.419049 Ge\n0.801642 0.614547 0.933468 Ge\n0.270419 0.800467 0.580952 Ge\n0.698358 0.385453 0.433467 Ge\n0.301642 0.885453 0.066533 Ge\n0.198358 0.114547 0.566533 Ge\n0.807255 0.765968 0.158010 B\n0.692745 0.234032 0.658010 B\n0.307255 0.734032 0.841991 B\n0.192745 0.265968 0.341990 B\n0.586179 0.550596 0.405242 O\n0.413821 0.050596 0.094758 O\n0.861370 0.638978 0.093929 O\n0.913821 0.449404 0.905242 O\n0.972198 0.177275 0.964615 O\n0.495943 0.289953 0.331231 O\n0.138630 0.138978 0.406071 O\n0.059797 0.378052 0.405301 O\n0.440203 0.621948 0.905302 O\n0.086179 0.949404 0.594759 O\n0.504058 0.789953 0.168769 O\n0.004057 0.710047 0.831232 O\n0.559797 0.121948 0.594699 O\n0.431513 0.744929 0.715956 O\n0.931513 0.755071 0.284044 O\n0.995943 0.210047 0.668769 O\n0.638630 0.361022 0.593930 O\n0.940203 0.878052 0.094699 O\n0.568487 0.244929 0.784044 O\n0.361370 0.861022 0.906071 O\n0.527802 0.822725 0.464615 O\n0.068487 0.255071 0.215956 O\n0.027802 0.677275 0.535386 O\n0.472198 0.322725 0.035386 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-K-O",
"density": 3.64730123233361,
"density_atomic": 0.07543145636212543,
"volume": 530.282748459358,
"volume_molar": 7.983593384554817,
"formula_full": "K4 Ge8 B4 O24",
"formula_reduced": "KGe2BO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.142948348333334,
"spacegroup": 19
},
{
"id": "jvasp-22934",
"created_at": "2022-09-04T14:38:12.743062Z",
"updated_at": "2022-09-04T14:38:12.743082Z",
"structure_string": "Sm4 Pt4 F28\n1.0\n0.000000 8.993495 0.021499\n5.486786 0.000000 0.000000\n0.000000 -5.675333 -10.758330\nSm Pt F\n4 4 28\ndirect\n0.812041 0.762589 0.236780 Sm\n0.187958 0.262589 0.263220 Sm\n0.187958 0.237412 0.763220 Sm\n0.812041 0.737412 0.736780 Sm\n0.271876 0.757304 0.041766 Pt\n0.728124 0.257303 0.458234 Pt\n0.728124 0.242697 0.958234 Pt\n0.271876 0.742697 0.541766 Pt\n0.025149 0.749581 0.451426 F\n0.719171 0.954824 0.369471 F\n0.280828 0.454823 0.130529 F\n0.280829 0.045177 0.630529 F\n0.719171 0.545178 0.869471 F\n0.742186 0.434308 0.323496 F\n0.257814 0.565693 0.676504 F\n0.257814 0.934309 0.176504 F\n0.974851 0.249581 0.048574 F\n0.962985 0.392803 0.770595 F\n0.037015 0.892803 0.729405 F\n0.742186 0.065692 0.823496 F\n0.974851 0.250419 0.548574 F\n0.482238 0.280044 0.364148 F\n0.517761 0.719957 0.635852 F\n0.482238 0.219956 0.864148 F\n0.037014 0.607198 0.229405 F\n0.517761 0.780044 0.135852 F\n0.270457 0.066884 0.960116 F\n0.729543 0.566884 0.539884 F\n0.729543 0.933117 0.039884 F\n0.270457 0.433117 0.460116 F\n0.706681 0.074257 0.588721 F\n0.293319 0.574257 0.911279 F\n0.293319 0.925744 0.411279 F\n0.706680 0.425744 0.088721 F\n0.025149 0.750420 0.951426 F\n0.962985 0.107198 0.270595 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sm",
"Pt",
"F"
],
"chemical_system": "F-Pt-Sm",
"density": 5.99358531664641,
"density_atomic": 0.06789833698865497,
"volume": 530.2044438292382,
"volume_molar": 8.869349423103294,
"formula_full": "Sm4 Pt4 F28",
"formula_reduced": "SmPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.1102135836111111,
"spacegroup": 14
},
{
"id": "jvasp-59297",
"created_at": "2022-09-04T14:38:02.785879Z",
"updated_at": "2022-09-04T14:38:02.785896Z",
"structure_string": "Sr12 Si4 O20\n1.0\n6.985991 -0.000000 0.000000\n0.000000 6.985991 -0.000000\n-0.000000 -0.000000 10.861424\nSr Si O\n12 4 20\ndirect\n0.000000 0.500000 0.490978 Sr\n0.500000 0.000000 0.009022 Sr\n0.500000 0.000000 0.509022 Sr\n0.000000 0.500000 0.990978 Sr\n0.688633 0.688633 0.250000 Sr\n0.811366 0.188633 0.250000 Sr\n0.188633 0.811366 0.250000 Sr\n0.311367 0.311367 0.250000 Sr\n0.811366 0.811366 0.750000 Sr\n0.688633 0.311367 0.750000 Sr\n0.311367 0.688633 0.750000 Sr\n0.188633 0.188633 0.750000 Sr\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.902281 0.839861 0.407502 O\n0.597719 0.660139 0.592498 O\n0.160139 0.902281 0.592498 O\n0.339861 0.402281 0.907502 O\n0.839861 0.097719 0.592498 O\n0.902281 0.160139 0.907502 O\n0.097719 0.839861 0.907502 O\n0.339861 0.597719 0.407502 O\n0.097719 0.160139 0.407502 O\n0.500000 0.000000 0.781022 O\n0.160139 0.097719 0.092498 O\n0.660139 0.402281 0.407502 O\n0.597719 0.339861 0.092498 O\n0.402281 0.660139 0.092498 O\n0.000000 0.500000 0.218978 O\n0.500000 0.000000 0.281022 O\n0.402281 0.339861 0.592498 O\n0.000000 0.500000 0.718977 O\n0.839861 0.902281 0.092498 O\n0.660139 0.597719 0.907502 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sr",
"Si",
"O"
],
"chemical_system": "O-Si-Sr",
"density": 4.648072271043378,
"density_atomic": 0.06791405929408026,
"volume": 530.0816999336387,
"volume_molar": 8.867296142501264,
"formula_full": "Sr12 Si4 O20",
"formula_reduced": "Sr3SiO5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.417673892222222,
"spacegroup": 130
},
{
"id": "jvasp-32932",
"created_at": "2022-09-04T14:36:45.986577Z",
"updated_at": "2022-09-04T14:36:45.986608Z",
"structure_string": "Nb4 Br12 O4\n1.0\n3.930570 -0.000000 -0.000000\n-0.000000 11.611662 0.000000\n-0.000000 0.000000 11.611662\nNb Br O\n4 12 4\ndirect\n0.209599 0.126361 0.626361 Nb\n0.209599 0.873639 0.373639 Nb\n0.790401 0.373639 0.126361 Nb\n0.790401 0.626361 0.873639 Nb\n0.747677 0.606623 0.663424 Br\n0.252323 0.336576 0.606623 Br\n0.252323 0.106623 0.836576 Br\n0.252323 0.663424 0.393376 Br\n0.747677 0.393376 0.336576 Br\n0.747677 0.163424 0.106623 Br\n0.252323 0.893376 0.163424 Br\n0.260239 0.107135 0.392865 Br\n0.747677 0.836576 0.893376 Br\n0.739761 0.392865 0.892865 Br\n0.260239 0.892865 0.607134 Br\n0.739761 0.607134 0.107135 Br\n0.743842 0.883843 0.383843 O\n0.256158 0.616157 0.883843 O\n0.743842 0.116157 0.616157 O\n0.256158 0.383843 0.116157 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Br",
"O"
],
"chemical_system": "Br-Nb-O",
"density": 4.369324655627569,
"density_atomic": 0.03773859169119379,
"volume": 529.9614824966283,
"volume_molar": 15.95751322486486,
"formula_full": "Nb4 Br12 O4",
"formula_reduced": "NbBr3O",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3458070429999998,
"spacegroup": 113
},
{
"id": "jvasp-112937",
"created_at": "2022-09-04T14:38:45.412728Z",
"updated_at": "2022-09-04T14:38:45.412744Z",
"structure_string": "Ba4 Ga8 As8\n1.0\n10.069004 0.000000 0.000000\n-0.000000 6.830863 3.239340\n0.000000 0.036258 7.721458\nBa Ga As\n4 8 8\ndirect\n0.603880 0.585141 0.718713 Ba\n0.103880 0.414859 0.781287 Ba\n0.396120 0.414859 0.281287 Ba\n0.896120 0.585141 0.218713 Ba\n0.211094 0.946296 0.132866 Ga\n0.711094 0.053704 0.367135 Ga\n0.288906 0.946296 0.632866 Ga\n0.788906 0.053704 0.867135 Ga\n0.014702 0.063945 0.258396 Ga\n0.485298 0.063945 0.758396 Ga\n0.985297 0.936055 0.741604 Ga\n0.514702 0.936054 0.241604 Ga\n0.108237 0.215639 0.470232 As\n0.679561 0.266664 0.544942 As\n0.179561 0.733336 0.955059 As\n0.320438 0.733336 0.455058 As\n0.820438 0.266664 0.044942 As\n0.891762 0.784361 0.529768 As\n0.391763 0.215639 0.970232 As\n0.608237 0.784361 0.029768 As\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"As"
],
"chemical_system": "As-Ba-Ga",
"density": 5.347529690888102,
"density_atomic": 0.037743030536506,
"volume": 529.8991553064479,
"volume_molar": 15.95563650930265,
"formula_full": "Ba4 Ga8 As8",
"formula_reduced": "Ba(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6063928240000002,
"spacegroup": 14
},
{
"id": "jvasp-32786",
"created_at": "2022-09-04T14:38:29.358106Z",
"updated_at": "2022-09-04T14:38:29.358121Z",
"structure_string": "Sb4 Br12\n1.0\n6.727004 -0.000000 0.000000\n-0.000000 8.029006 0.000000\n0.000000 0.000000 9.809923\nSb Br\n4 12\ndirect\n0.477409 0.479537 0.250000 Sb\n0.977409 0.020463 0.750000 Sb\n0.522591 0.520464 0.750000 Sb\n0.022591 -0.020463 0.250000 Sb\n0.643252 0.313431 0.935722 Br\n0.653919 0.064232 0.250000 Br\n0.143252 0.186569 0.064278 Br\n0.143252 0.186569 0.435722 Br\n0.153920 0.435769 0.750000 Br\n0.346080 0.935769 0.750000 Br\n0.356748 0.686570 0.064278 Br\n0.856747 0.813431 0.935722 Br\n0.356748 0.686570 0.435722 Br\n0.856747 0.813431 0.564278 Br\n0.643252 0.313431 0.564278 Br\n0.846080 0.564232 0.250000 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sb",
"Br"
],
"chemical_system": "Br-Sb",
"density": 4.531423826838439,
"density_atomic": 0.03019749484094967,
"volume": 529.8452763804437,
"volume_molar": 19.942517721150846,
"formula_full": "Sb4 Br12",
"formula_reduced": "SbBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.18811460375,
"spacegroup": 62
},
{
"id": "jvasp-99595",
"created_at": "2022-09-04T14:36:35.899117Z",
"updated_at": "2022-09-04T14:36:35.899138Z",
"structure_string": "K2 Rb1 Bi1 I6\n1.0\n7.865681 -0.000000 4.541253\n2.621894 7.415835 4.541253\n-0.000000 -0.000000 9.082506\nK Rb Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.761913 0.238087 0.238087 I\n0.238087 0.238087 0.761913 I\n0.238086 0.761913 0.761913 I\n0.238086 0.761913 0.238087 I\n0.761913 0.238087 0.761913 I\n0.761912 0.761913 0.238087 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"I"
],
"chemical_system": "Bi-I-K-Rb",
"density": 3.5545735006687638,
"density_atomic": 0.018875476286224987,
"volume": 529.7879559891072,
"volume_molar": 31.90457643919089,
"formula_full": "K2 Rb1 Bi1 I6",
"formula_reduced": "K2RbBiI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-58842",
"created_at": "2022-09-04T14:38:13.553542Z",
"updated_at": "2022-09-04T14:38:13.553559Z",
"structure_string": "Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Tl",
"density": 5.305254349430621,
"density_atomic": 0.03775108036604501,
"volume": 529.7861625700356,
"volume_molar": 15.952234218484985,
"formula_full": "Tl4 Cd4 Cl12",
"formula_reduced": "TlCdCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}