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=-id&page=176",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=174",
"results": [
{
"id": "jvasp-95480",
"created_at": "2022-09-04T14:35:41.994647Z",
"updated_at": "2022-09-04T14:35:41.994679Z",
"structure_string": "Rb6 Si10 O23\n1.0\n9.611258 0.000000 -0.000000\n-4.805630 8.323594 -0.000000\n-0.000000 -0.000000 8.228410\nRb Si O\n6 10 23\ndirect\n0.253109 -0.000000 0.500000 Rb\n0.746891 0.746891 0.500000 Rb\n-0.000000 0.239748 0.000000 Rb\n0.239748 -0.000000 0.000000 Rb\n0.760251 0.760251 0.000000 Rb\n-0.000000 0.253109 0.500000 Rb\n0.333333 0.666667 0.802606 Si\n0.605240 -0.000000 0.698581 Si\n0.605240 -0.000000 0.301419 Si\n0.394760 0.394760 0.698581 Si\n-0.000000 0.605239 0.698581 Si\n0.394760 0.394760 0.301419 Si\n0.333333 0.666667 0.197394 Si\n0.666667 0.333333 0.197394 Si\n-0.000000 0.605239 0.301419 Si\n0.666667 0.333333 0.802606 Si\n0.569403 0.149814 0.263284 O\n0.247736 0.247736 0.784505 O\n0.569403 0.149814 0.736716 O\n0.430597 0.580411 0.736716 O\n-0.000000 0.625149 0.500000 O\n0.419589 0.850186 0.736716 O\n-0.000000 0.752263 0.215495 O\n0.625149 -0.000000 0.500000 O\n0.752264 -0.000000 0.215495 O\n0.419589 0.850186 0.263284 O\n0.374851 0.374851 0.500000 O\n0.850186 0.419589 0.736716 O\n0.850186 0.419589 0.263284 O\n0.580411 0.430597 0.263284 O\n0.580411 0.430597 0.736716 O\n0.752264 -0.000000 0.784505 O\n0.149814 0.569403 0.736716 O\n0.430597 0.580411 0.263284 O\n-0.000000 0.752263 0.784505 O\n0.247736 0.247736 0.215495 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n0.149814 0.569403 0.263284 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 2.9303304588626644,
"density_atomic": 0.05924579886546567,
"volume": 658.2745232039241,
"volume_molar": 10.164671378092097,
"formula_full": "Rb6 Si10 O23",
"formula_reduced": "Rb6Si10O23",
"formula_anonymous": "A6B10C23",
"energy_above_hull": 2.628622474358974,
"spacegroup": 189
},
{
"id": "jvasp-9548",
"created_at": "2022-09-04T14:37:05.941164Z",
"updated_at": "2022-09-04T14:37:05.941192Z",
"structure_string": "Mg4 Bi4 O10\n1.0\n0.000000 4.636214 1.645601\n5.329490 0.000000 0.000000\n0.000000 -3.159598 -12.439288\nMg Bi O\n4 4 10\ndirect\n0.641133 0.771561 -0.003359 Mg\n0.358866 0.228439 0.003359 Mg\n0.358866 0.271561 0.503359 Mg\n0.641133 0.728439 0.496641 Mg\n-0.152092 0.675128 0.296335 Bi\n0.152091 0.324872 0.703665 Bi\n-0.152092 0.824872 0.796335 Bi\n0.152091 0.175128 0.203665 Bi\n0.298847 0.480834 0.360784 O\n0.222989 -0.032333 0.386835 O\n0.701152 -0.019166 0.139216 O\n0.298847 0.019166 0.860784 O\n-0.000000 0.500000 0.500000 O\n0.222989 0.532333 0.886835 O\n-0.222989 0.032333 0.613165 O\n0.000000 0.000000 0.000000 O\n-0.222989 0.467667 0.113165 O\n0.701152 0.519166 0.639217 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O",
"density": 6.491003198114303,
"density_atomic": 0.06436669238756247,
"volume": 279.6477391073481,
"volume_molar": 9.355989156223373,
"formula_full": "Mg4 Bi4 O10",
"formula_reduced": "Mg2Bi2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.3897793555555558,
"spacegroup": 14
},
{
"id": "jvasp-95478",
"created_at": "2022-09-04T14:36:16.543646Z",
"updated_at": "2022-09-04T14:36:16.543659Z",
"structure_string": "Ba6 Zr2 Ru4 O18\n1.0\n5.838544 0.000000 -0.000000\n-2.919271 5.056327 -0.000000\n0.000000 0.000000 14.381409\nBa Zr Ru O\n6 2 4 18\ndirect\n0.333333 0.666667 0.907054 Ba\n0.666667 0.333333 0.092947 Ba\n0.666667 0.333333 0.407053 Ba\n0.333333 0.666667 0.592947 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.662945 Ru\n0.333333 0.666667 0.162945 Ru\n0.666667 0.333333 0.837055 Ru\n0.333333 0.666667 0.337055 Ru\n0.829667 0.170333 0.583233 O\n0.829667 0.659336 0.583233 O\n0.489952 0.979904 0.250000 O\n0.510048 0.489952 0.750000 O\n0.659335 0.829668 0.083233 O\n0.979903 0.489952 0.750000 O\n0.020096 0.510049 0.250000 O\n0.170333 0.340665 0.416767 O\n0.489951 0.510049 0.250000 O\n0.170333 0.340665 0.083233 O\n0.510048 0.020096 0.750000 O\n0.829667 0.659336 0.916767 O\n0.340665 0.170333 0.916767 O\n0.829667 0.170333 0.916767 O\n0.340665 0.170333 0.583233 O\n0.659335 0.829668 0.416767 O\n0.170333 0.829668 0.083233 O\n0.170333 0.829668 0.416767 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru-Zr",
"density": 6.643842351927816,
"density_atomic": 0.07066105332493401,
"volume": 424.5620265812534,
"volume_molar": 8.522574284743898,
"formula_full": "Ba6 Zr2 Ru4 O18",
"formula_reduced": "Ba3ZrRu2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.668226327333333,
"spacegroup": 194
},
{
"id": "jvasp-95474",
"created_at": "2022-09-04T14:36:11.716826Z",
"updated_at": "2022-09-04T14:36:11.716850Z",
"structure_string": "Na2 Li2 Yb4 F16\n1.0\n6.619872 0.069623 0.000693\n-1.442089 6.461263 -0.000693\n0.000624 -0.000494 6.965465\nYb Na Li F\n4 2 2 16\ndirect\n0.451923 0.076763 0.749975 Yb\n0.548076 0.923237 0.250024 Yb\n0.076762 0.451923 0.750024 Yb\n0.923237 0.548076 0.249975 Yb\n0.335603 0.335603 0.250000 Na\n0.664396 0.664397 0.750000 Na\n0.000000 0.000000 0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.321687 0.741289 0.749388 F\n0.676150 0.947909 0.552480 F\n0.908945 0.908945 0.250000 F\n0.323849 0.052091 0.447520 F\n0.947613 0.675878 0.552467 F\n0.258711 0.678312 0.249388 F\n0.947908 0.676151 0.947519 F\n0.675877 0.947614 0.947532 F\n0.678312 0.258711 0.250611 F\n0.741288 0.321688 0.750611 F\n0.052091 0.323849 0.052480 F\n0.324122 0.052386 0.052467 F\n0.603043 0.603044 0.250000 F\n0.396956 0.396956 0.750000 F\n0.052386 0.324122 0.447533 F\n0.091054 0.091055 0.750000 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Na",
"Li",
"F"
],
"chemical_system": "F-Li-Na-Yb",
"density": 5.871864176785286,
"density_atomic": 0.08036665203577358,
"volume": 298.631327696927,
"volume_molar": 7.493332878069086,
"formula_full": "Na2 Li2 Yb4 F16",
"formula_reduced": "NaLiYb2F8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-95470",
"created_at": "2022-09-04T14:36:33.350894Z",
"updated_at": "2022-09-04T14:36:33.350919Z",
"structure_string": "Cr4 Te8 O22\n1.0\n6.857583 0.000000 -1.219963\n0.000000 7.634199 0.000000\n-0.041705 0.000000 9.785019\nCr Te O\n4 8 22\ndirect\n0.318819 0.500451 0.384044 Cr\n0.681180 0.000451 0.115956 Cr\n0.681180 0.499549 0.615956 Cr\n0.318819 0.999550 0.884044 Cr\n0.681146 0.639499 0.915382 Te\n0.318853 0.360501 0.084618 Te\n0.681146 0.860501 0.415382 Te\n0.318853 0.139499 0.584618 Te\n0.850725 0.139883 0.823264 Te\n0.850726 0.360117 0.323264 Te\n0.149274 0.860117 0.176737 Te\n0.149273 0.639883 0.676737 Te\n0.469889 0.134085 0.765701 O\n0.206387 0.882968 0.708158 O\n0.793612 0.382968 0.791842 O\n0.793612 0.117032 0.291842 O\n0.206387 0.617032 0.208158 O\n0.126550 0.187677 0.843306 O\n0.873448 0.687677 0.656694 O\n0.873449 0.812324 0.156694 O\n0.126551 0.312324 0.343306 O\n0.530109 0.634085 0.734299 O\n0.565184 0.637191 0.449071 O\n0.469890 0.365915 0.265701 O\n0.565184 0.862809 0.949071 O\n0.434815 0.362809 0.550929 O\n0.434815 0.137191 0.050929 O\n0.499999 0.000000 0.500000 O\n0.156327 0.851880 0.983297 O\n0.843671 0.351880 0.516703 O\n0.843672 0.148120 0.016703 O\n0.156328 0.648120 0.483297 O\n0.530110 0.865915 0.234299 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-O-Te",
"density": 5.128038896908582,
"density_atomic": 0.06642202555314541,
"volume": 511.87839751734174,
"volume_molar": 9.066481652507843,
"formula_full": "Cr4 Te8 O22",
"formula_reduced": "Cr2Te4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.84655378627451,
"spacegroup": 14
},
{
"id": "jvasp-9547",
"created_at": "2022-09-04T14:37:27.394443Z",
"updated_at": "2022-09-04T14:37:27.394462Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.039295 0.263822 -0.271285\n-0.741973 7.409896 -1.083654\n-2.260007 -1.618437 7.667699\nMg Mn O\n4 4 8\ndirect\n0.562170 0.948350 0.800625 Mg\n0.429736 0.072867 0.168102 Mg\n0.185514 0.321335 0.923925 Mg\n0.806422 0.699872 0.044808 Mg\n0.680541 0.825301 0.418951 Mn\n-0.061308 0.573736 0.677094 Mn\n0.053262 0.447470 0.291634 Mn\n0.311357 0.195907 0.549772 Mn\n0.675913 0.315305 0.414290 O\n0.421090 0.573468 0.159482 O\n0.570865 0.447736 0.809247 O\n0.316004 0.705902 0.554440 O\n0.044675 0.947118 0.283075 O\n0.188569 0.828393 0.926982 O\n-0.052786 0.074089 0.685653 O\n-0.196642 0.192812 0.041741 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.4881317961417775,
"density_atomic": 0.09718703042056796,
"volume": 164.63102052569636,
"volume_molar": 6.1964448691762035,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5130233228448275,
"spacegroup": 11
},
{
"id": "jvasp-95468",
"created_at": "2022-09-04T14:36:33.173406Z",
"updated_at": "2022-09-04T14:36:33.173432Z",
"structure_string": "Hf4 B8 O20\n1.0\n4.396808 0.000000 -0.055077\n0.000000 6.930182 0.000000\n0.006682 0.000000 9.003812\nHf B O\n4 8 20\ndirect\n0.001166 0.112481 0.670594 Hf\n0.998834 0.887519 0.329406 Hf\n0.001166 0.387519 0.170594 Hf\n0.998834 0.612481 0.829405 Hf\n0.473324 0.771337 0.576284 B\n0.473324 0.728662 0.076284 B\n0.463795 0.086422 0.166424 B\n0.526676 0.228663 0.423715 B\n0.536204 0.913577 0.833575 B\n0.536205 0.586422 0.333575 B\n0.463795 0.413578 0.666424 B\n0.526676 0.271337 0.923715 B\n0.787034 0.089746 0.179426 O\n0.653495 0.778174 0.945041 O\n0.768566 0.096523 0.468245 O\n0.696212 0.654851 0.191702 O\n0.303788 0.154851 0.308297 O\n0.303788 0.345149 0.808297 O\n0.653495 0.721825 0.445041 O\n0.787033 0.410254 0.679425 O\n0.346505 0.221826 0.054959 O\n0.696212 0.845149 0.691702 O\n0.670936 0.105449 0.849351 O\n0.346505 0.278174 0.554958 O\n0.212966 0.910254 0.820574 O\n0.231434 0.903477 0.531755 O\n0.212967 0.589746 0.320574 O\n0.329063 0.605449 0.650648 O\n0.768566 0.403477 0.968245 O\n0.329064 0.894551 0.150648 O\n0.670937 0.394551 0.349351 O\n0.231434 0.596522 0.031755 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Hf",
"B",
"O"
],
"chemical_system": "B-Hf-O",
"density": 6.781465470548969,
"density_atomic": 0.11663727945003861,
"volume": 274.3548216392268,
"volume_molar": 5.163135481550368,
"formula_full": "Hf4 B8 O20",
"formula_reduced": "HfB2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.477253208333333,
"spacegroup": 14
},
{
"id": "jvasp-95463",
"created_at": "2022-09-04T14:36:35.135839Z",
"updated_at": "2022-09-04T14:36:35.135854Z",
"structure_string": "H20 C8 Cl4 O4\n1.0\n5.906024 0.000000 -2.134186\n0.000000 7.779288 0.000000\n-0.046583 0.000000 8.066731\nH C Cl O\n20 8 4 4\ndirect\n0.462507 0.833454 0.049427 H\n0.448756 0.438030 0.150329 H\n0.938329 0.237132 0.793644 H\n0.614948 0.520247 0.653030 H\n0.948756 0.061970 0.650328 H\n0.885052 0.020247 0.846969 H\n0.051244 0.938031 0.349671 H\n0.537493 0.166547 0.950572 H\n0.191298 0.815062 0.669586 H\n0.438329 0.262868 0.293644 H\n0.551244 0.561970 0.849671 H\n0.061671 0.762868 0.206355 H\n0.037493 0.333454 0.450572 H\n0.691297 0.684939 0.169586 H\n0.114948 0.979753 0.153031 H\n0.808702 0.184939 0.330413 H\n0.962507 0.666547 0.549427 H\n0.308702 0.315062 0.830413 H\n0.385052 0.479753 0.346969 H\n0.561671 0.737132 0.706355 H\n0.483486 0.399193 0.288531 C\n0.132251 0.681202 0.648039 C\n0.983486 0.100807 0.788531 C\n0.516514 0.600807 0.711468 C\n0.632250 0.818798 0.148039 C\n0.867749 0.318798 0.351960 C\n0.016514 0.899193 0.211469 C\n0.367750 0.181202 0.851960 C\n0.094190 0.622395 0.862173 Cl\n0.594189 0.877605 0.362173 Cl\n0.405811 0.122395 0.637826 Cl\n0.905810 0.377605 0.137826 Cl\n0.780282 0.926512 0.108688 O\n0.719717 0.426511 0.391311 O\n0.280283 0.573489 0.608688 O\n0.219718 0.073489 0.891311 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"H",
"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-O",
"density": 1.4459469729159837,
"density_atomic": 0.09733680171480112,
"volume": 369.84983444885273,
"volume_molar": 6.186910453093579,
"formula_full": "H20 C8 Cl4 O4",
"formula_reduced": "H5C2ClO",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 3.5706897297222224,
"spacegroup": 14
},
{
"id": "jvasp-9546",
"created_at": "2022-09-04T14:37:28.639999Z",
"updated_at": "2022-09-04T14:37:28.640033Z",
"structure_string": "Mg2 V2 F8\n1.0\n5.061682 -0.015570 -0.001811\n-0.110661 5.471297 0.010203\n-1.794664 -1.946089 5.073571\nMg V F\n2 2 8\ndirect\n0.742302 0.675957 0.483088 Mg\n0.250396 0.323000 0.511920 Mg\n0.496348 0.999484 0.997503 V\n0.996350 0.499488 0.997505 V\n0.150021 0.668072 0.745769 F\n0.288887 0.019015 0.251181 F\n0.842678 0.330894 0.249242 F\n0.338164 0.547629 0.315509 F\n0.703818 0.979944 0.743829 F\n0.217819 0.215338 0.801068 F\n0.654531 0.451335 0.679497 F\n0.774880 0.783634 0.193946 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"V",
"F"
],
"chemical_system": "F-Mg-V",
"density": 3.5728839830944934,
"density_atomic": 0.08535993477299277,
"volume": 140.5811758398474,
"volume_molar": 7.054996909282269,
"formula_full": "Mg2 V2 F8",
"formula_reduced": "MgVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0462235138888889,
"spacegroup": 2
},
{
"id": "jvasp-95457",
"created_at": "2022-09-04T14:36:34.322513Z",
"updated_at": "2022-09-04T14:36:34.322544Z",
"structure_string": "Na24 In5 O15\n1.0\n9.125083 -0.000000 -3.226205\n-4.562541 7.902554 -3.226205\n0.000000 0.000000 9.678613\nNa In O\n24 5 15\ndirect\n0.545462 0.263969 0.545462 Na\n0.718506 -0.000000 0.454538 Na\n0.263969 0.545462 0.545462 Na\n0.454538 0.718506 0.000000 Na\n0.783498 0.783498 0.219691 Na\n0.436192 0.216502 0.000000 Na\n-0.000000 0.454538 0.718507 Na\n0.736030 0.281493 0.281494 Na\n-0.000000 0.436192 0.216502 Na\n0.545462 0.545462 0.263969 Na\n0.281493 0.736030 0.281494 Na\n-0.000000 0.718506 0.454538 Na\n0.281493 0.281493 0.736030 Na\n0.718506 0.454538 0.000000 Na\n0.783498 0.219690 0.783498 Na\n0.563808 0.780309 0.563808 Na\n0.219690 0.783498 0.783498 Na\n-0.000000 0.216502 0.436192 Na\n0.563808 0.563808 0.780310 Na\n0.436192 -0.000000 0.216502 Na\n0.780309 0.563808 0.563808 Na\n0.454538 -0.000000 0.718507 Na\n0.216502 -0.000000 0.436192 Na\n0.216502 0.436192 0.000000 Na\n0.000000 0.000000 0.000000 In\n0.285995 0.285995 0.285996 In\n0.714004 0.000000 0.000000 In\n-0.000000 -0.000000 0.714004 In\n-0.000000 0.714004 0.000000 In\n-0.000000 0.691922 0.215112 O\n0.784888 0.784888 0.476811 O\n0.523189 0.308078 0.308078 O\n0.784888 0.476810 0.784889 O\n0.691922 0.215111 0.000000 O\n0.308078 0.523189 0.308078 O\n0.476810 0.784888 0.784889 O\n-0.000000 0.215111 0.691922 O\n0.215111 -0.000000 0.691922 O\n0.500000 -0.000000 0.500000 O\n0.215111 0.691922 0.000000 O\n0.308078 0.308078 0.523189 O\n0.500000 0.500000 0.000000 O\n0.691922 0.000000 0.215112 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Na",
"In",
"O"
],
"chemical_system": "In-Na-O",
"density": 3.2496011637802362,
"density_atomic": 0.06304276548488162,
"volume": 697.9389254513542,
"volume_molar": 9.552469206707277,
"formula_full": "Na24 In5 O15",
"formula_reduced": "Na24In5O15",
"formula_anonymous": "A5B15C24",
"energy_above_hull": 0.4631074625000001,
"spacegroup": 217
},
{
"id": "jvasp-95456",
"created_at": "2022-09-04T14:36:32.049355Z",
"updated_at": "2022-09-04T14:36:32.049384Z",
"structure_string": "H24 O12\n1.0\n3.937008 -0.001740 0.000330\n0.003500 8.041685 0.000698\n-0.000713 -0.000708 8.104867\nH O\n24 12\ndirect\n0.486174 0.923573 0.649011 H\n0.513481 0.346798 0.928583 H\n0.561103 0.780689 0.775952 H\n0.736610 0.846797 0.071455 H\n0.954366 0.277612 0.718489 H\n0.986182 0.576407 0.851034 H\n0.263919 0.076396 0.149007 H\n0.644676 0.541743 0.600144 H\n0.105432 0.458238 0.100148 H\n0.892972 0.907454 0.448434 H\n0.295734 0.777613 0.281547 H\n0.795730 0.722375 0.218496 H\n0.357131 0.407462 0.551612 H\n0.454367 0.222375 0.781541 H\n0.144666 0.958246 0.899893 H\n0.188991 0.219280 0.275951 H\n0.763925 0.423565 0.351029 H\n0.392974 0.592520 0.051615 H\n0.236629 0.653191 0.428585 H\n0.061112 0.719290 0.724095 H\n0.688996 0.280680 0.224096 H\n0.013477 0.153184 0.571457 H\n0.857119 0.092523 0.948425 H\n0.605417 0.041728 0.399897 H\n0.250144 0.499623 0.007370 O\n0.383028 0.864070 0.745375 O\n0.629142 0.256460 0.864202 O\n0.867084 0.364054 0.254671 O\n0.120944 0.743515 0.364195 O\n-0.000046 0.999629 0.992671 O\n0.620962 0.756448 0.135827 O\n0.750144 0.000353 0.492675 O\n0.499993 0.500344 0.507361 O\n0.129144 0.243528 0.635830 O\n0.367078 0.135907 0.245365 O\n0.883030 0.635914 0.754673 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 1.3989816652511387,
"density_atomic": 0.14029531339584528,
"volume": 256.60158652930534,
"volume_molar": 4.292474648107768,
"formula_full": "H24 O12",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy_above_hull": 1.904667833333333,
"spacegroup": 19
},
{
"id": "jvasp-95454",
"created_at": "2022-09-04T14:36:31.230423Z",
"updated_at": "2022-09-04T14:36:31.230450Z",
"structure_string": "Pr12 S12 N4\n1.0\n4.085426 -0.000000 0.000000\n-0.000000 12.226507 0.000000\n0.000000 0.000000 13.171850\nPr S N\n12 12 4\ndirect\n0.250000 0.589336 0.874438 Pr\n0.750001 0.410664 0.125562 Pr\n0.750001 0.773035 0.131811 Pr\n0.250000 0.726965 0.631811 Pr\n0.750001 0.962076 0.850220 Pr\n0.250000 0.037925 0.149780 Pr\n0.750001 0.910664 0.374438 Pr\n0.250000 0.089336 0.625562 Pr\n0.250000 0.226965 0.868189 Pr\n0.750001 0.462075 0.649780 Pr\n0.250000 0.537925 0.350220 Pr\n0.750001 0.273035 0.368189 Pr\n0.250000 0.766875 0.299569 S\n0.250000 0.577807 0.107271 S\n0.250000 0.077806 0.392729 S\n0.250000 0.266875 0.200431 S\n0.750001 0.733126 0.799569 S\n0.750001 0.422194 0.892729 S\n0.750001 0.142923 0.999311 S\n0.750001 0.922194 0.607271 S\n0.750001 0.233125 0.700431 S\n0.250000 0.857078 0.000689 S\n0.250000 0.357078 0.499311 S\n0.750001 0.642923 0.500689 S\n0.750001 0.450336 0.298026 N\n0.250000 0.549664 0.701974 N\n0.250000 0.049664 0.798026 N\n0.750001 0.950336 0.201974 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"S",
"N"
],
"chemical_system": "N-Pr-S",
"density": 5.380075518705334,
"density_atomic": 0.04255704902933106,
"volume": 657.9403562662889,
"volume_molar": 14.150747989714782,
"formula_full": "Pr12 S12 N4",
"formula_reduced": "Pr3S3N",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.299133257142857,
"spacegroup": 62
}
]
}