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=spacegroup&page=566",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=564",
"results": [
{
"id": "jvasp-88159",
"created_at": "2022-09-04T14:35:56.535629Z",
"updated_at": "2022-09-04T14:35:56.535657Z",
"structure_string": "Sr4 Li4 Co4 F24\n1.0\n5.202844 0.000000 -0.184147\n0.000000 8.663208 0.000000\n0.028578 0.000000 10.249571\nSr Li Co F\n4 4 4 24\ndirect\n0.253280 0.283541 0.500287 Sr\n0.746719 0.783541 -0.000287 Sr\n0.253280 0.216459 0.000287 Sr\n0.746720 0.716459 0.499713 Sr\n0.284290 0.918701 0.740088 Li\n0.715710 0.418701 0.759912 Li\n0.715710 0.081299 0.259912 Li\n0.284289 0.581299 0.240088 Li\n0.783361 0.418043 0.251684 Co\n0.216639 0.918043 0.248316 Co\n0.783361 0.081957 0.751684 Co\n0.216639 0.581957 0.748316 Co\n0.072139 0.092563 0.649546 F\n0.491118 0.547258 0.638263 F\n0.391676 0.774943 0.351225 F\n0.508881 0.452742 0.361737 F\n0.009587 0.456542 0.639448 F\n0.072139 0.407437 0.149546 F\n0.608323 0.225057 0.648774 F\n0.009587 0.043458 0.139448 F\n0.363902 0.421542 0.847116 F\n0.990412 0.543458 0.360551 F\n0.879637 0.249553 0.354967 F\n0.636097 0.578458 0.152884 F\n0.990412 0.956542 0.860551 F\n0.491118 0.952742 0.138263 F\n0.636098 0.921542 0.652884 F\n0.363902 0.078458 0.347116 F\n0.120363 0.750448 0.645033 F\n0.508882 0.047258 0.861737 F\n0.879637 0.250448 0.854967 F\n0.927861 0.907437 0.350454 F\n0.120363 0.749553 0.145033 F\n0.391677 0.725058 0.851225 F\n0.927861 0.592564 0.850454 F\n0.608323 0.274943 0.148774 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Co",
"F"
],
"chemical_system": "Co-F-Li-Sr",
"density": 3.8453847943650947,
"density_atomic": 0.07791739247045515,
"volume": 462.0277817131848,
"volume_molar": 7.728878712520426,
"formula_full": "Sr4 Li4 Co4 F24",
"formula_reduced": "SrLiCoF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0053509894444444,
"spacegroup": 14
},
{
"id": "jvasp-62041",
"created_at": "2022-09-04T14:35:56.342881Z",
"updated_at": "2022-09-04T14:35:56.342911Z",
"structure_string": "Li4 Al4 H16\n1.0\n0.000000 4.837978 0.034786\n7.832046 0.000000 0.000000\n0.000000 -2.935720 -7.187804\nLi Al H\n4 4 16\ndirect\n0.579757 0.536967 0.829382 Li\n0.420242 0.036967 0.670617 Li\n0.420242 0.463033 0.170617 Li\n0.579757 0.963034 0.329382 Li\n0.145359 0.799339 0.931983 Al\n0.854641 0.299339 0.568016 Al\n0.854641 0.200662 0.068016 Al\n0.145359 0.700662 0.431983 Al\n0.197648 0.234927 0.626189 H\n0.802351 0.734927 0.873810 H\n0.248470 0.578750 0.615659 H\n0.751529 0.078750 0.884340 H\n0.751529 0.421250 0.384340 H\n0.248471 0.921250 0.115659 H\n0.366666 0.868995 0.480633 H\n0.177071 0.597892 0.258177 H\n0.633334 0.131006 0.519366 H\n0.366665 0.631006 0.980633 H\n0.197648 0.265074 0.126189 H\n0.822928 0.097891 0.241822 H\n0.822928 0.402109 0.741821 H\n0.177071 0.902109 0.758177 H\n0.633334 0.368994 0.019366 H\n0.802351 0.765074 0.373810 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Al",
"H"
],
"chemical_system": "Al-H-Li",
"density": 0.9283505121978224,
"density_atomic": 0.08837983048916724,
"volume": 271.5551712100386,
"volume_molar": 6.8139311047198,
"formula_full": "Li4 Al4 H16",
"formula_reduced": "LiAlH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3012488000000006,
"spacegroup": 14
},
{
"id": "jvasp-98363",
"created_at": "2022-09-04T14:35:56.427443Z",
"updated_at": "2022-09-04T14:35:56.427474Z",
"structure_string": "Rb12 Si4 O14\n1.0\n6.732922 0.000000 -0.127831\n0.000000 9.238938 0.000000\n-0.000197 0.000000 9.218361\nRb Si O\n12 4 14\ndirect\n0.607009 0.852700 0.091097 Rb\n0.612826 0.723005 0.723514 Rb\n0.112826 0.776995 0.223514 Rb\n0.387173 0.276995 0.276486 Rb\n0.246442 0.524689 0.952764 Rb\n0.253557 0.024689 0.547236 Rb\n0.753557 0.475311 0.047236 Rb\n0.746442 0.975311 0.452764 Rb\n0.107009 0.647300 0.591097 Rb\n0.392990 0.147300 0.908903 Rb\n0.892990 0.352700 0.408903 Rb\n0.887173 0.223005 0.776486 Rb\n0.957689 0.131738 0.124764 Si\n0.457689 0.368262 0.624764 Si\n0.042310 0.868262 0.875236 Si\n0.542310 0.631738 0.375236 Si\n0.053102 0.077634 0.280918 O\n0.446897 0.577634 0.219082 O\n0.284884 0.844706 0.868588 O\n0.215115 0.344706 0.631412 O\n0.715115 0.155295 0.131412 O\n0.784884 0.655295 0.368588 O\n0.570955 0.222341 0.565807 O\n0.929044 0.722341 0.934193 O\n0.429045 0.777659 0.434193 O\n0.946897 0.922366 0.719082 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.553102 0.422366 0.780918 O\n0.070955 0.277659 0.065807 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Si",
"O"
],
"chemical_system": "O-Rb-Si",
"density": 3.943939074411832,
"density_atomic": 0.052316909781480486,
"volume": 573.4283642765845,
"volume_molar": 11.510887751500489,
"formula_full": "Rb12 Si4 O14",
"formula_reduced": "Rb6Si2O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 1.2966534466666664,
"spacegroup": 14
},
{
"id": "jvasp-97342",
"created_at": "2022-09-04T14:35:56.688973Z",
"updated_at": "2022-09-04T14:35:56.689012Z",
"structure_string": "Sm4 Zr4 F28\n1.0\n5.684594 0.000000 0.000000\n0.000000 8.725988 -2.718025\n0.000000 0.041627 11.434367\nSm Zr F\n4 4 28\ndirect\n0.241542 0.420225 0.234186 Sm\n0.258457 0.920226 0.734186 Sm\n0.741542 0.079775 0.265814 Sm\n0.758457 0.579775 0.765814 Sm\n0.244182 0.771306 0.044016 Zr\n0.744182 0.728695 0.455983 Zr\n0.755817 0.228695 0.955984 Zr\n0.255818 0.271306 0.544017 Zr\n0.903059 0.306197 0.269075 F\n0.970825 0.368403 0.642170 F\n0.096941 0.693804 0.730925 F\n0.596940 0.806197 0.769075 F\n0.548806 0.581102 0.323918 F\n0.048806 0.918899 0.176082 F\n0.451194 0.418899 0.676082 F\n0.951193 0.081102 0.823918 F\n0.470825 0.131598 0.857830 F\n0.403059 0.193804 0.230925 F\n0.549553 0.370976 0.083665 F\n0.260286 0.420846 0.444034 F\n0.049553 0.129025 0.416335 F\n0.450447 0.629025 0.916335 F\n0.950446 0.870976 0.583665 F\n0.558662 0.183058 0.455853 F\n0.058662 0.316942 0.044147 F\n0.441338 0.816942 0.544147 F\n0.029174 0.631598 0.357830 F\n0.941337 0.683059 0.955853 F\n0.720461 0.885966 0.363852 F\n0.779538 0.385966 0.863853 F\n0.279538 0.114034 0.636148 F\n0.239713 0.920847 0.944034 F\n0.739713 0.579154 0.555966 F\n0.760286 0.079154 0.055966 F\n0.220462 0.614034 0.136147 F\n0.529174 0.868403 0.142170 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Sm",
"Zr",
"F"
],
"chemical_system": "F-Sm-Zr",
"density": 4.381541837517428,
"density_atomic": 0.06339924871823743,
"volume": 567.8300725611633,
"volume_molar": 9.498757290900942,
"formula_full": "Sm4 Zr4 F28",
"formula_reduced": "SmZrF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.1775628169444447,
"spacegroup": 14
},
{
"id": "jvasp-96871",
"created_at": "2022-09-04T14:35:56.654605Z",
"updated_at": "2022-09-04T14:35:56.654631Z",
"structure_string": "K16 Ge4 H16 N8 O12\n1.0\n10.501962 0.000000 -3.000044\n0.000000 6.400803 0.000000\n0.029986 0.000000 12.162056\nK Ge H N O\n16 4 16 8 12\ndirect\n0.637700 0.387020 0.613620 K\n0.198961 0.112160 0.326438 K\n0.801039 0.612160 0.173562 K\n0.198961 0.387840 0.826438 K\n0.855164 0.181606 0.401052 K\n0.144836 0.681606 0.098948 K\n0.144836 0.818394 0.598949 K\n0.855164 0.318394 0.901052 K\n0.801039 0.887839 0.673563 K\n0.485673 0.621808 0.147184 K\n0.485673 0.878191 0.647184 K\n0.514327 0.378192 0.852817 K\n0.637700 0.112980 0.113620 K\n0.362300 0.612979 0.386381 K\n0.362300 0.887020 0.886381 K\n0.514327 0.121808 0.352817 K\n0.300705 0.191431 0.101067 Ge\n0.699295 0.691431 0.398933 Ge\n0.300705 0.308569 0.601067 Ge\n0.699295 0.808569 0.898934 Ge\n0.014776 0.812937 0.319532 H\n0.935564 0.080221 0.197200 H\n0.064436 0.580221 0.302801 H\n0.064436 0.919778 0.802801 H\n0.935565 0.419778 0.697200 H\n0.985224 0.187062 0.680469 H\n0.014776 0.687062 0.819532 H\n0.985224 0.312938 0.180469 H\n0.109103 0.052365 0.959457 H\n0.890898 0.552365 0.540544 H\n0.890897 0.947635 0.040544 H\n0.109103 0.447635 0.459457 H\n0.066852 0.181237 0.060745 H\n0.933148 0.681237 0.439255 H\n0.933148 0.818763 0.939255 H\n0.066852 0.318763 0.560746 H\n0.903433 0.222917 0.160856 N\n0.096567 0.777083 0.839145 N\n0.903433 0.277083 0.660856 N\n0.096567 0.722917 0.339144 N\n0.874653 0.689372 0.493164 N\n0.874653 0.810627 0.993165 N\n0.125347 0.310628 0.506836 N\n0.125347 0.189372 0.006836 N\n0.340248 0.557657 0.666272 O\n0.394764 0.263618 0.008356 O\n0.605236 0.763618 0.491644 O\n0.605236 0.736381 0.991645 O\n0.394765 0.236382 0.508356 O\n0.301749 0.382991 0.206676 O\n0.698251 0.882990 0.293324 O\n0.698251 0.617009 0.793325 O\n0.301749 0.117009 0.706676 O\n0.659752 0.442343 0.333728 O\n0.340248 0.942342 0.166272 O\n0.659752 0.057657 0.833729 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"K",
"Ge",
"H",
"N",
"O"
],
"chemical_system": "Ge-H-K-N-O",
"density": 2.5093282895993223,
"density_atomic": 0.06844951118109745,
"volume": 818.1212551224847,
"volume_molar": 8.797930994813347,
"formula_full": "K16 Ge4 H16 N8 O12",
"formula_reduced": "K4GeH4N2O3",
"formula_anonymous": "AB2C3D4E4",
"energy_above_hull": 2.1233174964285717,
"spacegroup": 14
},
{
"id": "jvasp-97784",
"created_at": "2022-09-04T14:35:56.740934Z",
"updated_at": "2022-09-04T14:35:56.740957Z",
"structure_string": "Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O",
"density": 8.165222385281163,
"density_atomic": 0.06500439872091765,
"volume": 523.0415274814195,
"volume_molar": 9.264205005348579,
"formula_full": "Ba8 Ir6 O20",
"formula_reduced": "Ba4Ir3O10",
"formula_anonymous": "A3B4C10",
"energy_above_hull": 2.6108871870588235,
"spacegroup": 14
},
{
"id": "jvasp-87061",
"created_at": "2022-09-04T14:35:56.811430Z",
"updated_at": "2022-09-04T14:35:56.811454Z",
"structure_string": "Li4 Ce4 O8\n1.0\n5.778141 -0.081028 0.000000\n-1.336379 5.705427 0.000000\n0.000000 0.000000 6.029586\nLi Ce O\n4 4 8\ndirect\n0.182502 0.662954 0.132604 Li\n0.317497 0.337046 0.632605 Li\n0.817497 0.337046 0.867396 Li\n0.682502 0.662954 0.367396 Li\n0.303409 0.200495 0.071539 Ce\n0.803409 0.200495 0.428461 Ce\n0.696590 0.799505 0.928462 Ce\n0.196591 0.799505 0.571539 Ce\n0.986063 0.906145 0.246099 O\n0.696592 0.434650 0.136137 O\n0.513937 0.093855 0.746099 O\n0.013937 0.093855 0.753902 O\n0.303408 0.565351 0.863864 O\n0.803407 0.565350 0.636137 O\n0.196592 0.434650 0.363864 O\n0.486063 0.906145 0.253901 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ce",
"O"
],
"chemical_system": "Ce-Li-O",
"density": 6.00291993623671,
"density_atomic": 0.08075790639458874,
"volume": 198.12301623847068,
"volume_molar": 7.457029322398976,
"formula_full": "Li4 Ce4 O8",
"formula_reduced": "LiCeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1793106249999998,
"spacegroup": 14
},
{
"id": "jvasp-91407",
"created_at": "2022-09-04T14:35:56.841580Z",
"updated_at": "2022-09-04T14:35:56.841604Z",
"structure_string": "Rb8 Sn8 S32\n1.0\n9.397287 0.000000 -2.878212\n0.000000 10.138545 0.000000\n-0.117193 0.000000 14.308868\nRb Sn S\n8 8 32\ndirect\n0.532076 0.225278 0.912535 Rb\n0.967925 0.725278 0.587465 Rb\n0.467925 0.774721 0.087465 Rb\n0.032075 0.274722 0.412535 Rb\n0.851034 0.132946 0.704769 Rb\n0.648967 0.632946 0.795231 Rb\n0.148966 0.867053 0.295231 Rb\n0.351034 0.367054 0.204769 Rb\n0.025679 0.173810 0.015007 Sn\n0.406695 -0.000004 0.596938 Sn\n0.906695 0.500003 0.096938 Sn\n0.593305 0.000004 0.403063 Sn\n0.525679 0.326189 0.515007 Sn\n0.974322 0.826189 0.984993 Sn\n0.474321 0.673810 0.484993 Sn\n0.093305 0.499996 0.903063 Sn\n0.490131 0.769013 0.332487 S\n0.990131 0.730986 0.832487 S\n0.509870 0.230987 0.667514 S\n0.687360 0.142712 0.190214 S\n0.812640 0.642711 0.309786 S\n0.312640 0.857288 0.809786 S\n0.306082 0.657220 0.769596 S\n0.693918 0.342780 0.230405 S\n0.806082 0.842779 0.269596 S\n0.193918 0.157220 0.730405 S\n0.646341 0.446246 0.100978 S\n0.853660 0.946245 0.399023 S\n0.009869 0.269013 0.167514 S\n0.187360 0.357288 0.690214 S\n0.007836 0.432851 0.715600 S\n0.329482 0.462878 0.419068 S\n0.992164 0.567149 0.284401 S\n0.507836 0.067149 0.215600 S\n0.140563 0.602483 0.076683 S\n0.359437 0.102483 0.423317 S\n0.859437 0.397516 0.923317 S\n0.640564 0.897516 0.576683 S\n0.353660 0.553754 0.899023 S\n0.170518 0.962878 0.080933 S\n0.670518 0.537121 0.580933 S\n0.829483 0.037121 0.919068 S\n0.714346 0.225868 0.460664 S\n0.785654 0.725868 0.039337 S\n0.285654 0.774132 0.539337 S\n0.214346 0.274132 0.960664 S\n0.492164 0.932851 0.784401 S\n0.146341 0.053754 0.600978 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"S"
],
"chemical_system": "Rb-S-Sn",
"density": 3.2475577730177587,
"density_atomic": 0.035297881363858696,
"volume": 1359.8549869099772,
"volume_molar": 17.06091280074967,
"formula_full": "Rb8 Sn8 S32",
"formula_reduced": "RbSnS4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1962886166666669,
"spacegroup": 14
},
{
"id": "jvasp-98267",
"created_at": "2022-09-04T14:35:57.224855Z",
"updated_at": "2022-09-04T14:35:57.224872Z",
"structure_string": "Ti4 Fe2 P4 O20\n1.0\n6.404351 0.000000 -3.746255\n0.000000 7.385530 0.000000\n-0.062486 0.000000 7.470781\nTi Fe P O\n4 2 4 20\ndirect\n0.977573 0.273298 0.717060 Ti\n0.022426 0.726701 0.282940 Ti\n0.477574 0.226701 0.217060 Ti\n0.522425 0.773298 0.782940 Ti\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.748156 0.373425 -0.000840 P\n0.248156 0.126575 0.499159 P\n0.251844 0.626575 0.000841 P\n0.751844 0.873425 0.500841 P\n0.909324 -0.001564 0.680927 O\n0.845834 0.244763 0.908673 O\n0.920415 0.488551 0.175586 O\n0.590675 0.498436 0.819073 O\n0.272144 0.661831 0.496731 O\n0.579585 0.988551 0.324415 O\n0.864829 0.757373 0.418448 O\n0.227856 0.161831 0.003269 O\n0.345834 0.255237 0.408673 O\n0.409324 0.501564 0.180927 O\n0.079584 0.511449 0.824415 O\n0.772144 0.838169 0.996731 O\n0.654165 0.744763 0.591327 O\n0.090676 0.001564 0.319073 O\n0.135171 0.242627 0.581552 O\n0.727855 0.338169 0.503269 O\n0.635171 0.257373 0.081553 O\n0.364828 0.742627 0.918448 O\n0.154166 0.755237 0.091327 O\n0.420415 0.011449 0.675585 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Ti",
"density": 3.527774408393434,
"density_atomic": 0.08531560931393177,
"volume": 351.63553587961184,
"volume_molar": 7.058662310950178,
"formula_full": "Ti4 Fe2 P4 O20",
"formula_reduced": "Ti2Fe(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.237647877777778,
"spacegroup": 14
},
{
"id": "jvasp-43369",
"created_at": "2022-09-04T14:35:57.325146Z",
"updated_at": "2022-09-04T14:35:57.325169Z",
"structure_string": "Ag4 P4 O12\n1.0\n0.000000 5.849354 -0.144205\n4.344478 0.000000 0.000000\n0.000000 -4.078748 -10.505271\nAg P O\n4 4 12\ndirect\n0.335497 0.869807 0.075235 Ag\n0.664502 0.369806 0.424766 Ag\n0.335497 0.630194 0.575235 Ag\n0.664502 0.130194 0.924765 Ag\n0.855945 0.633428 0.170113 P\n0.144054 0.133428 0.329888 P\n0.855945 0.866573 0.670112 P\n0.144054 0.366572 0.829888 P\n0.938983 0.628855 0.787323 O\n0.061016 0.128855 0.712677 O\n0.613557 -0.008334 0.666957 O\n0.887143 0.723819 0.555162 O\n0.112856 0.276181 0.444839 O\n0.613557 0.508334 0.166957 O\n0.938983 0.871145 0.287323 O\n0.061016 0.371145 0.212677 O\n0.386442 0.491666 0.833043 O\n0.887143 0.776182 0.055162 O\n0.386443 0.008334 0.333043 O\n0.112856 0.223819 0.944839 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"P",
"O"
],
"chemical_system": "Ag-O-P",
"density": 4.60457297224311,
"density_atomic": 0.07420617251477835,
"volume": 269.5193583258448,
"volume_molar": 8.115417566915577,
"formula_full": "Ag4 P4 O12",
"formula_reduced": "AgPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.795714652,
"spacegroup": 14
},
{
"id": "jvasp-97755",
"created_at": "2022-09-04T14:35:57.356603Z",
"updated_at": "2022-09-04T14:35:57.356627Z",
"structure_string": "Ce8 Si8 O28\n1.0\n5.444812 0.000000 -0.016665\n0.000000 8.726731 0.000000\n0.005943 0.000000 13.065014\nCe Si O\n8 8 28\ndirect\n0.740107 0.897134 0.090150 Ce\n0.248442 0.694742 0.269904 Ce\n0.240107 0.602866 0.590150 Ce\n0.751557 0.305257 0.730095 Ce\n0.259892 0.102866 0.909849 Ce\n0.759892 0.397134 0.409849 Ce\n0.251558 0.194743 0.230096 Ce\n0.748442 0.805257 0.769904 Ce\n0.729428 0.249572 0.024130 Si\n0.228831 0.500492 0.822433 Si\n0.728831 0.999508 0.322433 Si\n0.770572 0.749572 0.475869 Si\n0.271168 0.000492 0.677566 Si\n0.229427 0.250428 0.524130 Si\n0.771168 0.499508 0.177566 Si\n0.270572 0.750428 0.975869 Si\n0.477442 0.523609 0.752423 O\n0.983368 0.157385 0.053950 O\n0.483368 0.342615 0.553950 O\n0.767246 0.927644 0.437213 O\n0.839304 0.739525 0.596545 O\n0.645761 0.178052 0.328028 O\n0.732754 0.427644 0.062787 O\n0.160696 0.260475 0.403454 O\n0.354238 0.821948 0.671971 O\n0.502818 0.917775 0.260047 O\n0.522557 0.476391 0.247576 O\n0.145761 0.321948 0.828028 O\n0.493068 0.852302 0.920848 O\n0.497181 0.082225 0.739953 O\n0.854239 0.678052 0.171971 O\n0.660695 0.239525 0.903454 O\n0.997182 0.417775 0.239953 O\n0.267246 0.572356 0.937213 O\n0.977442 0.976391 0.252423 O\n0.506931 0.147698 0.079152 O\n0.016631 0.842615 0.946050 O\n0.339304 0.760475 0.096546 O\n0.993068 0.647698 0.420848 O\n0.006931 0.352302 0.579152 O\n0.002818 0.582225 0.760047 O\n0.232753 0.072356 0.562787 O\n0.516631 0.657385 0.446050 O\n0.022557 0.023609 0.747576 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ce",
"Si",
"O"
],
"chemical_system": "Ce-O-Si",
"density": 4.79765007047309,
"density_atomic": 0.07087738962895775,
"volume": 620.7903568449608,
"volume_molar": 8.496561162206781,
"formula_full": "Ce8 Si8 O28",
"formula_reduced": "Ce2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.7242738818181813,
"spacegroup": 14
},
{
"id": "jvasp-91233",
"created_at": "2022-09-04T14:35:57.541754Z",
"updated_at": "2022-09-04T14:35:57.541780Z",
"structure_string": "Al8 Pb12 F48\n1.0\n9.513828 0.000000 -0.092295\n0.000000 9.616656 0.000000\n0.006872 0.000000 10.076075\nAl Pb F\n8 12 48\ndirect\n0.688557 0.639385 0.418117 Al\n0.311443 0.360615 0.581884 Al\n0.188557 0.860615 0.918117 Al\n0.811443 0.139385 0.081884 Al\n0.317588 0.650512 0.371529 Al\n0.182412 0.150512 0.128471 Al\n0.682412 0.349488 0.628472 Al\n0.817588 0.849488 0.871529 Al\n0.789336 0.003635 0.496232 Pb\n0.984135 0.379562 0.331358 Pb\n0.210664 0.996366 0.503769 Pb\n0.710665 0.503635 0.003769 Pb\n0.015865 0.620439 0.668643 Pb\n0.484135 0.120439 0.831358 Pb\n0.514447 0.281614 0.285582 Pb\n0.515865 0.879562 0.168643 Pb\n0.485553 0.718387 0.714419 Pb\n0.014447 0.218386 0.785582 Pb\n0.289335 0.496365 0.996232 Pb\n0.985554 0.781614 0.214419 Pb\n0.710840 0.174604 0.694462 F\n0.789161 0.674604 0.805540 F\n0.503157 0.704948 0.407230 F\n0.996843 0.204947 0.092771 F\n0.496843 0.295053 0.592771 F\n0.003157 0.795053 0.907230 F\n0.365854 0.482751 0.450645 F\n0.865854 0.017249 0.950645 F\n0.134146 0.982751 0.049356 F\n0.154635 0.982607 0.788290 F\n0.845365 0.017393 0.211711 F\n0.737092 0.773241 0.301237 F\n0.634146 0.517250 0.549356 F\n0.345364 0.482607 0.711711 F\n0.438115 0.965869 0.655479 F\n0.770451 0.784754 0.034925 F\n0.061884 0.465869 0.844522 F\n0.561885 0.034132 0.344522 F\n0.938116 0.534132 0.155479 F\n0.503515 0.360241 0.053078 F\n0.996486 0.860241 0.446923 F\n0.496485 0.639759 0.946923 F\n0.003514 0.139759 0.553078 F\n0.707394 0.764938 0.551587 F\n0.792606 0.264938 0.948414 F\n0.292606 0.235062 0.448413 F\n0.207394 0.735062 0.051587 F\n0.870224 0.582302 0.437618 F\n0.629777 0.082302 0.062383 F\n0.129776 0.417698 0.562383 F\n0.289161 0.825396 0.305539 F\n0.370223 0.917698 0.937618 F\n0.762908 0.273240 0.198764 F\n0.237092 0.726760 0.801237 F\n0.262908 0.226760 0.698764 F\n0.122168 0.084331 0.284453 F\n0.377832 0.584331 0.215548 F\n0.877832 0.915669 0.715548 F\n0.622168 0.415669 0.784453 F\n0.360502 0.096496 0.161562 F\n0.139498 0.596496 0.338439 F\n0.639498 0.903504 0.838439 F\n0.860502 0.403504 0.661562 F\n0.270451 0.715247 0.534925 F\n0.229549 0.215247 0.965076 F\n0.729549 0.284753 0.465076 F\n0.654636 0.517393 0.288290 F\n0.210839 0.325396 0.194461 F\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Al",
"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.510055829464261,
"density_atomic": 0.07376243946218318,
"volume": 921.8784044535635,
"volume_molar": 8.164237522387603,
"formula_full": "Al8 Pb12 F48",
"formula_reduced": "Al2Pb3F12",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}