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{
"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",
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{
"id": "jvasp-98559",
"created_at": "2022-09-04T14:35:53.076549Z",
"updated_at": "2022-09-04T14:35:53.076576Z",
"structure_string": "K4 Ni2 H24 C8 O28\n1.0\n6.628831 0.000000 0.000000\n0.000000 8.436481 -1.681406\n0.000000 0.004726 11.767578\nK Ni H C O\n4 2 24 8 28\ndirect\n0.660507 0.559785 0.877565 K\n0.160507 0.940216 0.622435 K\n0.839493 0.059785 0.377565 K\n0.339493 0.440215 0.122435 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.996243 0.286098 0.227891 H\n0.918087 0.825556 0.149819 H\n0.004553 0.679615 0.266947 H\n0.076399 0.600883 0.656684 H\n-0.004553 0.320385 0.733053 H\n0.785566 0.398234 0.614771 H\n0.915204 0.576427 0.149552 H\n0.503757 0.786099 0.727891 H\n0.496243 0.213902 0.272109 H\n0.418087 0.674444 0.350180 H\n0.495447 0.179615 0.766947 H\n0.081913 0.174444 0.850181 H\n0.504553 0.820385 0.233052 H\n0.581913 0.325556 0.649820 H\n0.423601 0.100882 0.156684 H\n0.415204 0.923573 0.350448 H\n0.584796 0.076427 0.649552 H\n0.214434 0.601766 0.385229 H\n0.714434 0.898234 0.114771 H\n0.576399 0.899118 0.843316 H\n0.084796 0.423573 0.850448 H\n0.285566 0.101767 0.885229 H\n0.923601 0.399118 0.343316 H\n0.003757 0.713902 0.772109 H\n0.690675 0.799361 0.543509 C\n0.671795 0.186450 0.957737 C\n0.190675 0.700639 0.956491 C\n0.828205 0.686449 0.457737 C\n0.171795 0.313551 0.542263 C\n0.309325 0.200639 0.456491 C\n0.328205 0.813551 0.042262 C\n0.809325 0.299361 0.043509 C\n0.482056 0.812165 0.812325 O\n0.232766 0.456483 0.571866 O\n0.515097 0.838473 0.318581 O\n0.012974 0.258965 0.579013 O\n0.517944 0.187836 0.187674 O\n0.767234 0.543517 0.428133 O\n0.267234 0.956483 0.071866 O\n0.243696 0.558581 0.924852 O\n0.487026 0.758965 0.079013 O\n0.732766 0.043517 0.928134 O\n0.145412 0.072076 0.862049 O\n0.854588 0.927925 0.137951 O\n0.028043 0.762077 0.925980 O\n0.971957 0.237923 0.074020 O\n0.987026 0.741035 0.420986 O\n0.015097 0.661527 0.181418 O\n0.756304 0.441419 0.075148 O\n0.354588 0.572075 0.362049 O\n0.256304 0.058581 0.424852 O\n0.645412 0.427925 0.637951 O\n0.743696 0.941419 0.575148 O\n0.512973 0.241035 0.920987 O\n0.484903 0.161527 0.681419 O\n0.982056 0.687836 0.687674 O\n0.528043 0.737924 0.574019 O\n0.471957 0.262077 0.425980 O\n0.984903 0.338473 0.818582 O\n0.017944 0.312164 0.312325 O\n",
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"volume": 658.142786743727,
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"formula_full": "K4 Ni2 H24 C8 O28",
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{
"id": "jvasp-91340",
"created_at": "2022-09-04T14:35:53.678228Z",
"updated_at": "2022-09-04T14:35:53.678258Z",
"structure_string": "Cu8 P28\n1.0\n7.091530 0.000000 1.825973\n3.325454 6.320352 1.768609\n-0.000393 0.009581 14.685194\nCu P\n8 28\ndirect\n0.965068 0.717455 0.352409 Cu\n0.281186 0.010140 0.427489 Cu\n0.718815 0.989859 0.572511 Cu\n0.383899 0.437684 0.794518 Cu\n0.034933 0.282545 0.647591 Cu\n0.156337 0.654586 0.032740 Cu\n0.843663 0.345414 0.967260 Cu\n0.616101 0.562316 0.205482 Cu\n0.224003 0.064373 0.171153 P\n0.357059 0.834677 0.980627 P\n0.775997 0.935627 0.828846 P\n0.540471 0.064373 0.171153 P\n0.764688 0.542240 0.421650 P\n0.728578 0.457760 0.578350 P\n0.235312 0.457760 0.578350 P\n0.271422 0.542240 0.421650 P\n0.172364 0.165322 0.019373 P\n0.459529 0.935627 0.828846 P\n0.958586 0.221501 0.377291 P\n0.471332 0.702313 0.355023 P\n0.557377 0.778499 0.622709 P\n0.041415 0.778499 0.622709 P\n0.442623 0.221501 0.377291 P\n0.970806 0.364972 0.223316 P\n0.559096 0.635027 0.776683 P\n0.029194 0.635027 0.776683 P\n0.642941 0.165322 0.019373 P\n0.440904 0.364972 0.223316 P\n0.224416 0.957888 0.593280 P\n0.895019 0.412872 0.797090 P\n0.104981 0.587128 0.202910 P\n0.653700 0.649793 0.042807 P\n0.346301 0.350207 0.957193 P\n0.528668 0.297686 0.644977 P\n0.775584 0.042112 0.406720 P\n0.827636 0.834677 0.980627 P\n",
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{
"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",
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"elements": [
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],
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{
"id": "jvasp-98405",
"created_at": "2022-09-04T14:35:42.325865Z",
"updated_at": "2022-09-04T14:35:42.325890Z",
"structure_string": "Cd24 N16\n1.0\n8.950036 0.000000 -3.164316\n-4.475017 7.750958 -3.164316\n-0.000000 -0.000000 9.492947\nCd N\n24 16\ndirect\n0.755455 0.030540 0.476978 Cd\n0.476978 0.755455 0.030540 Cd\n0.969460 0.523022 0.244545 Cd\n0.255455 0.778477 0.724914 Cd\n0.446438 0.469460 0.224914 Cd\n0.023022 0.053562 0.278476 Cd\n0.778477 0.724915 0.255454 Cd\n0.775086 0.553562 0.530540 Cd\n0.553562 0.530540 0.775086 Cd\n0.469460 0.224914 0.446438 Cd\n0.721524 0.976979 0.946438 Cd\n0.976979 0.946438 0.721523 Cd\n0.278477 0.023022 0.053562 Cd\n0.523022 0.244545 0.969460 Cd\n0.724915 0.255455 0.778476 Cd\n0.221524 0.275086 0.744545 Cd\n0.744546 0.221524 0.275085 Cd\n0.030540 0.476978 0.755455 Cd\n0.275086 0.744545 0.221523 Cd\n0.244545 0.969460 0.523021 Cd\n0.946438 0.721524 0.976978 Cd\n0.224914 0.446438 0.469460 Cd\n0.530540 0.775086 0.553562 Cd\n0.053562 0.278477 0.023022 Cd\n0.500000 0.500000 0.500000 N\n0.278533 0.528533 0.750000 N\n0.750000 0.778533 0.028532 N\n0.528533 0.750000 0.278532 N\n0.721468 0.471468 0.250000 N\n0.028533 0.750000 0.778533 N\n0.750000 0.278533 0.528532 N\n0.778533 0.028533 0.750000 N\n0.250000 0.721468 0.471467 N\n0.471468 0.250000 0.721467 N\n0.971468 0.250000 0.221467 N\n0.250000 0.221467 0.971468 N\n0.221467 0.971468 0.250000 N\n0.500000 -0.000000 -0.000000 N\n0.000000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
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{
"id": "jvasp-20291",
"created_at": "2022-09-04T14:37:35.652966Z",
"updated_at": "2022-09-04T14:37:35.652984Z",
"structure_string": "Sm16 O24\n1.0\n8.954383 -0.000000 -3.165853\n-4.477192 7.754724 -3.165853\n0.000000 0.000000 9.497558\nSm O\n16 24\ndirect\n0.250000 0.718879 0.468880 Sm\n0.500000 0.500000 0.500000 Sm\n-0.000000 -0.000000 0.500000 Sm\n0.500000 0.000000 0.000000 Sm\n-0.000000 0.500000 0.000000 Sm\n0.250000 0.218879 0.968880 Sm\n0.531120 0.750000 0.281121 Sm\n0.281121 0.531120 0.750000 Sm\n0.968879 0.250000 0.218880 Sm\n0.750000 0.281121 0.531121 Sm\n0.750000 0.781120 0.031121 Sm\n0.718879 0.468879 0.250000 Sm\n0.468879 0.250000 0.718880 Sm\n0.781120 0.031121 0.750000 Sm\n0.218879 0.968879 0.250000 Sm\n0.031121 0.750000 0.781121 Sm\n0.230121 0.458488 0.470752 O\n0.029248 0.487736 0.759369 O\n0.228367 0.269879 0.740631 O\n0.271632 0.012263 0.041512 O\n0.529248 0.769879 0.541512 O\n0.269879 0.740631 0.228368 O\n0.987736 0.958488 0.728368 O\n0.259369 0.771632 0.730121 O\n0.512263 0.240631 0.970752 O\n0.958488 0.728367 0.987737 O\n0.730120 0.259369 0.771633 O\n0.240631 0.970751 0.512264 O\n0.541512 0.529248 0.769880 O\n0.759369 0.029248 0.487737 O\n0.769879 0.541512 0.529249 O\n0.771632 0.730120 0.259369 O\n0.970751 0.512263 0.240631 O\n0.470751 0.230121 0.458488 O\n0.012263 0.041512 0.271632 O\n0.740631 0.228367 0.269880 O\n0.487736 0.759369 0.029249 O\n0.041512 0.271632 0.012263 O\n0.728367 0.987736 0.958489 O\n0.458488 0.470751 0.230121 O\n",
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"volume_molar": 9.928985513487605,
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"spacegroup": 206
},
{
"id": "jvasp-26821",
"created_at": "2022-09-04T14:38:28.995814Z",
"updated_at": "2022-09-04T14:38:28.995846Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n7.718618 -0.000000 -0.000000\n-3.859309 7.758397 -1.041598\n-0.000000 -0.044327 11.024424\nPr Si S Cl\n6 4 16 2\ndirect\n0.314157 0.387523 0.184819 Pr\n0.624116 -0.000000 0.250000 Pr\n0.073366 0.387523 0.684819 Pr\n0.926634 0.612477 0.315181 Pr\n0.375884 -0.000000 0.750000 Pr\n0.685843 0.612477 0.815180 Pr\n0.372699 0.681129 0.472450 Si\n0.691569 0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.8799449554133387,
"density_atomic": 0.042435084989538054,
"volume": 659.831363761923,
"volume_molar": 14.191419108703796,
"formula_full": "Pr6 Si4 S16 Cl2",
"formula_reduced": "Pr3Si2S8Cl",
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{
"id": "jvasp-55611",
"created_at": "2022-09-04T14:36:43.704761Z",
"updated_at": "2022-09-04T14:36:43.704781Z",
"structure_string": "Ba8 Cl12 O2\n1.0\n5.028559 -8.709721 0.000000\n5.028559 8.709721 -0.000000\n0.000000 -0.000000 7.532997\nBa Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.068169 Ba\n0.333333 0.666667 0.568169 Ba\n0.389824 0.194911 0.506714 Ba\n0.194911 0.805089 0.006713 Ba\n0.194911 0.389824 0.006713 Ba\n0.805089 0.610177 0.506714 Ba\n0.805089 0.194911 0.506714 Ba\n0.610177 0.805089 0.006713 Ba\n0.289603 0.144802 0.103909 Cl\n0.144802 0.855198 0.603909 Cl\n0.144802 0.289603 0.603909 Cl\n0.855198 0.710397 0.103909 Cl\n0.855198 0.144802 0.103909 Cl\n0.710397 0.855198 0.603909 Cl\n0.057187 0.528593 0.290426 Cl\n0.528593 0.057187 0.790426 Cl\n0.942813 0.471407 0.790426 Cl\n0.471407 0.942813 0.290426 Cl\n0.528593 0.471407 0.790426 Cl\n0.471407 0.528593 0.290426 Cl\n0.666667 0.333333 0.403590 O\n0.333333 0.666667 0.903590 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Ba-Cl-O",
"density": 3.9158611591345154,
"density_atomic": 0.033340882978347,
"volume": 659.8505508773641,
"volume_molar": 18.062331354304675,
"formula_full": "Ba8 Cl12 O2",
"formula_reduced": "Ba4Cl6O",
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"spacegroup": 186
},
{
"id": "jvasp-4204",
"created_at": "2022-09-04T14:38:17.227380Z",
"updated_at": "2022-09-04T14:38:17.227397Z",
"structure_string": "Pd8 Br16\n1.0\n3.963941 0.000000 0.000000\n0.000000 6.642314 0.033801\n0.000000 1.323632 25.079975\nPd Br\n8 16\ndirect\n0.750000 0.624999 0.875000 Pd\n0.250000 0.375000 0.125000 Pd\n0.750000 0.625000 0.375000 Pd\n0.750000 0.125000 0.875000 Pd\n0.250000 0.874999 0.625000 Pd\n0.250000 0.874999 0.125000 Pd\n0.750000 0.125000 0.375000 Pd\n0.250000 0.375000 0.625000 Pd\n0.570052 0.360511 0.941952 Br\n0.070052 0.639488 0.558048 Br\n0.429948 0.639489 0.058048 Br\n0.929948 0.360511 0.441952 Br\n0.570052 0.389488 0.808048 Br\n0.429948 0.139489 0.558048 Br\n0.929948 0.860510 0.941952 Br\n0.929948 0.889488 0.808048 Br\n0.429948 0.110511 0.691952 Br\n0.070052 0.110511 0.191952 Br\n0.570052 0.889488 0.308048 Br\n0.929948 0.389489 0.308048 Br\n0.429948 0.610511 0.191952 Br\n0.070052 0.610511 0.691952 Br\n0.070052 0.139489 0.058048 Br\n0.570052 0.860510 0.441952 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Pd",
"Br"
],
"chemical_system": "Br-Pd",
"density": 5.3571743804879315,
"density_atomic": 0.036354168088607954,
"volume": 660.1718939490933,
"volume_molar": 16.565200296488467,
"formula_full": "Pd8 Br16",
"formula_reduced": "PdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3431946366666666,
"spacegroup": 15
},
{
"id": "jvasp-36948",
"created_at": "2022-09-04T14:38:19.785029Z",
"updated_at": "2022-09-04T14:38:19.785051Z",
"structure_string": "Rb4 Ca4 Br12\n1.0\n4.355302 -0.000000 0.000000\n0.000000 9.504092 0.000000\n0.000000 0.000000 15.952080\nRb Ca Br\n4 4 12\ndirect\n0.750000 0.077579 0.323767 Rb\n0.250000 0.922420 0.676233 Rb\n0.750000 0.577579 0.176233 Rb\n0.250000 0.422420 0.823767 Rb\n0.250000 0.169089 0.057635 Ca\n0.750000 0.830910 0.942365 Ca\n0.250000 0.669090 0.442365 Ca\n0.750000 0.330910 0.557635 Ca\n0.750000 0.701458 0.784843 Br\n0.250000 0.298541 0.215157 Br\n0.750000 0.476567 0.395177 Br\n0.250000 0.523433 0.604823 Br\n0.750000 0.976567 0.104823 Br\n0.250000 0.663672 0.008420 Br\n0.250000 0.163671 0.491580 Br\n0.750000 0.836328 0.508420 Br\n0.250000 0.798541 0.284843 Br\n0.750000 0.336329 0.991580 Br\n0.250000 0.023433 0.895177 Br\n0.750000 0.201458 0.715157 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Ca",
"Br"
],
"chemical_system": "Br-Ca-Rb",
"density": 3.674196358846967,
"density_atomic": 0.0302889187588908,
"volume": 660.3074926248181,
"volume_molar": 19.88232332734658,
"formula_full": "Rb4 Ca4 Br12",
"formula_reduced": "RbCaBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-55277",
"created_at": "2022-09-04T14:38:14.384989Z",
"updated_at": "2022-09-04T14:38:14.385009Z",
"structure_string": "Ca4 Y8 S16\n1.0\n3.891924 0.000000 0.000000\n0.000000 12.963118 0.000000\n0.000000 0.000000 13.099409\nCa Y S\n4 8 16\ndirect\n0.749999 0.630375 0.417872 Ca\n0.250000 0.369625 0.582128 Ca\n0.749999 0.130375 0.082128 Ca\n0.250000 0.869625 0.917872 Ca\n0.749999 0.854018 0.203000 Y\n0.250000 0.145982 0.797000 Y\n0.250000 0.645982 0.703000 Y\n0.749999 0.354018 0.297000 Y\n0.749999 0.392132 0.916210 Y\n0.250000 0.107868 0.416210 Y\n0.749999 0.892132 0.583790 Y\n0.250000 0.607868 0.083790 Y\n0.250000 0.533967 0.882492 S\n0.250000 0.217582 0.236092 S\n0.749999 0.782418 0.763908 S\n0.749999 0.966033 0.382492 S\n0.250000 0.033967 0.617508 S\n0.749999 0.466033 0.117508 S\n0.250000 0.756332 0.524885 S\n0.749999 0.028397 0.882704 S\n0.250000 0.256332 0.975115 S\n0.749999 0.743668 0.024885 S\n0.749999 0.528397 0.617296 S\n0.250000 0.471603 0.382704 S\n0.749999 0.282418 0.736092 S\n0.250000 0.971603 0.117296 S\n0.749999 0.243668 0.475115 S\n0.250000 0.717582 0.263908 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Y",
"S"
],
"chemical_system": "Ca-S-Y",
"density": 3.4789446633768195,
"density_atomic": 0.04236746738894268,
"volume": 660.8844409545143,
"volume_molar": 14.214068319721406,
"formula_full": "Ca4 Y8 S16",
"formula_reduced": "Ca(YS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.782681617142857,
"spacegroup": 62
},
{
"id": "jvasp-35261",
"created_at": "2022-09-04T14:38:04.922540Z",
"updated_at": "2022-09-04T14:38:04.922554Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n-0.017196 0.017032 7.051452\n-0.018851 9.691575 3.460184\n-9.691309 -0.074382 3.460184\nNa Zn Se\n8 8 12\ndirect\n0.749999 0.569001 0.431000 Na\n0.249999 0.431000 0.569001 Na\n0.749999 0.281371 0.718629 Na\n0.249999 0.718629 0.281371 Na\n0.646280 0.975352 0.806889 Na\n0.853718 0.193111 0.024649 Na\n0.353718 0.024649 0.193112 Na\n0.146280 0.806889 0.975351 Na\n0.261074 0.083055 0.549185 Zn\n0.238925 0.450815 0.916945 Zn\n0.761074 0.549185 0.083055 Zn\n0.738924 0.916945 0.450815 Zn\n0.201646 0.792717 0.637047 Zn\n0.701645 0.637047 0.792717 Zn\n0.798353 0.207283 0.362954 Zn\n0.298353 0.362953 0.207283 Zn\n0.441597 0.227590 0.991809 Se\n0.568683 0.424118 0.276554 Se\n0.931315 0.723446 0.575882 Se\n0.431316 0.575882 0.723446 Se\n0.068683 0.276554 0.424118 Se\n0.552793 0.147835 0.583805 Se\n0.947205 0.416195 0.852165 Se\n0.447205 0.852165 0.416195 Se\n0.052793 0.583805 0.147835 Se\n0.558402 0.772410 0.008191 Se\n0.941597 0.991809 0.227591 Se\n0.058402 0.008191 0.772410 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Na-Se-Zn",
"density": 4.155895971582138,
"density_atomic": 0.042349829856335015,
"volume": 661.1596810420607,
"volume_molar": 14.219988085971405,
"formula_full": "Na8 Zn8 Se12",
"formula_reduced": "Na2Zn2Se3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.170530480952381,
"spacegroup": 15
}
]
}