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=-nsites&page=134",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=132",
"results": [
{
"id": "jvasp-24945",
"created_at": "2022-09-04T14:38:16.654037Z",
"updated_at": "2022-09-04T14:38:16.654067Z",
"structure_string": "Na4 Li8 P4 O16\n1.0\n4.920396 0.000000 0.000000\n-0.000000 6.893028 0.000000\n0.000000 0.000000 9.985299\nNa Li P O\n4 8 4 16\ndirect\n0.239070 0.750000 0.112639 Na\n0.260930 0.750000 0.612639 Na\n0.760931 0.250000 0.887362 Na\n0.739071 0.250000 0.387361 Na\n0.790936 0.500357 0.655955 Li\n0.290936 0.000357 0.844045 Li\n0.709065 0.999643 0.155955 Li\n0.209065 0.499643 0.344045 Li\n0.709065 0.500357 0.155955 Li\n0.209065 0.000357 0.344045 Li\n0.790936 0.999643 0.655955 Li\n0.290936 0.499643 0.844045 Li\n0.702640 0.750000 0.402633 P\n0.797361 0.750000 0.902633 P\n0.297361 0.250000 0.597367 P\n0.202640 0.250000 0.097367 P\n0.242378 0.250000 0.443357 O\n0.257622 0.250000 0.943357 O\n0.111697 0.750000 0.880386 O\n0.888303 0.250000 0.119614 O\n0.674259 0.565388 0.837928 O\n0.825742 0.565388 0.337928 O\n0.174259 0.434612 0.662072 O\n0.742379 0.750000 0.056643 O\n0.611698 0.250000 0.619614 O\n0.325742 0.065388 0.162072 O\n0.674259 0.934613 0.837928 O\n0.325742 0.434612 0.162072 O\n0.757622 0.750000 0.556643 O\n0.174259 0.065388 0.662072 O\n0.388303 0.750000 0.380386 O\n0.825742 0.934613 0.337928 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Li",
"P",
"O"
],
"chemical_system": "Li-Na-O-P",
"density": 2.5858029373183062,
"density_atomic": 0.09448846744067514,
"volume": 338.66566859168597,
"volume_molar": 6.373413521370762,
"formula_full": "Na4 Li8 P4 O16",
"formula_reduced": "NaLi2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6242360625,
"spacegroup": 62
},
{
"id": "jvasp-24335",
"created_at": "2022-09-04T14:38:17.146016Z",
"updated_at": "2022-09-04T14:38:17.146044Z",
"structure_string": "Na8 Ti2 As4 O18\n1.0\n6.600197 -0.000000 -3.005680\n-0.015473 7.761373 -0.033977\n0.000529 0.001906 8.750713\nNa Ti As O\n8 2 4 18\ndirect\n0.254867 0.000000 0.000000 Na\n0.370208 0.274529 0.740416 Na\n0.108004 0.230790 0.216008 Na\n0.891996 0.769210 0.783991 Na\n0.500000 0.500000 0.500000 Na\n0.745134 0.000000 0.000000 Na\n0.629793 0.725471 0.259584 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.389586 0.759440 0.779172 As\n0.129608 0.719502 0.259215 As\n0.870393 0.280498 0.740785 As\n0.610414 0.240560 0.220827 As\n0.758853 0.928850 0.517703 O\n0.343366 0.562478 0.686731 O\n0.383118 0.784833 0.367813 O\n0.504697 0.217104 0.009393 O\n0.140901 0.503214 0.281800 O\n0.241148 0.071150 0.482296 O\n0.984696 0.784833 0.367813 O\n0.838816 0.125990 0.283143 O\n0.495304 0.782896 0.990607 O\n0.161185 0.874010 0.716857 O\n0.015304 0.215167 0.632186 O\n0.616882 0.215167 0.632186 O\n0.859100 0.496786 0.718199 O\n0.555673 0.874010 0.716857 O\n0.965168 0.181742 0.930334 O\n0.444328 0.125990 0.283143 O\n0.034833 0.818258 0.069665 O\n0.656635 0.437523 0.313269 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Ti",
"As",
"O"
],
"chemical_system": "As-Na-O-Ti",
"density": 3.212780028370789,
"density_atomic": 0.07138362990966149,
"volume": 448.28205066759887,
"volume_molar": 8.436305029067913,
"formula_full": "Na8 Ti2 As4 O18",
"formula_reduced": "Na4TiAs2O9",
"formula_anonymous": "AB2C4D9",
"energy_above_hull": 2.0037718333333334,
"spacegroup": 12
},
{
"id": "jvasp-96823",
"created_at": "2022-09-04T14:36:20.428306Z",
"updated_at": "2022-09-04T14:36:20.428328Z",
"structure_string": "U4 Se4 O24\n1.0\n5.422826 0.000000 0.000000\n0.000000 6.664135 -1.686819\n0.000000 -0.064058 13.377517\nU Se O\n4 4 24\ndirect\n0.191712 0.663218 0.854144 U\n0.691712 0.336782 0.645857 U\n0.808289 0.336782 0.145856 U\n0.308288 0.663218 0.354144 U\n0.051164 0.198204 0.386109 Se\n0.448837 0.198204 0.886109 Se\n0.948837 0.801797 0.613891 Se\n0.551164 0.801797 0.113891 Se\n0.638420 0.022458 0.096666 O\n0.401966 0.839412 0.226215 O\n0.857947 0.307308 0.479830 O\n0.138419 0.977542 0.403334 O\n0.901967 0.160589 0.273785 O\n0.197133 0.339664 0.886125 O\n0.642054 0.307308 0.979830 O\n0.980035 0.435611 0.717967 O\n0.357947 0.692692 0.020170 O\n0.142053 0.692692 0.520170 O\n0.861581 0.022458 0.596666 O\n0.361581 0.977542 0.903334 O\n0.802868 0.660337 0.113876 O\n0.098034 0.839412 0.726215 O\n0.019966 0.564389 0.282033 O\n0.519966 0.435611 0.217967 O\n0.598035 0.160589 0.773786 O\n0.603073 0.739274 0.413142 O\n0.396928 0.260727 0.586859 O\n0.103072 0.260727 0.086858 O\n0.302867 0.339664 0.386124 O\n0.480035 0.564389 0.782033 O\n0.896928 0.739274 0.913142 O\n0.697133 0.660337 0.613876 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U",
"density": 5.681008428805022,
"density_atomic": 0.06627225056277795,
"volume": 482.85669685666164,
"volume_molar": 9.086971860560832,
"formula_full": "U4 Se4 O24",
"formula_reduced": "USeO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.943120045833333,
"spacegroup": 14
},
{
"id": "jvasp-88376",
"created_at": "2022-09-04T14:36:14.422608Z",
"updated_at": "2022-09-04T14:36:14.422632Z",
"structure_string": "Ba4 V2 P4 O22\n1.0\n5.146441 0.000000 -0.057970\n0.000000 8.739930 0.000000\n0.015851 0.000000 10.493835\nBa V P O\n4 2 4 22\ndirect\n0.972573 0.982851 0.947419 Ba\n0.027427 0.482851 0.052580 Ba\n-0.005672 0.343732 0.613745 Ba\n0.005671 0.843732 0.386254 Ba\n0.559956 0.002796 0.673037 V\n0.440043 0.502796 0.326963 V\n0.530436 0.645147 0.590596 P\n0.469564 0.145147 0.409404 P\n0.498153 0.290149 0.853143 P\n0.501847 0.790149 0.146856 P\n0.643067 0.948148 0.150839 O\n0.762926 0.131775 0.420073 O\n0.237074 0.631775 0.579927 O\n0.345612 0.068030 0.289323 O\n0.654387 0.568030 0.710677 O\n0.211039 0.794506 0.118432 O\n0.788961 0.294506 0.881568 O\n0.659833 0.704481 0.046170 O\n0.340167 0.204481 0.953829 O\n0.356933 0.448148 0.849161 O\n0.543241 0.718861 0.284131 O\n0.337304 0.056783 0.523633 O\n0.376799 0.314133 0.423625 O\n0.623200 0.814133 0.576375 O\n0.930548 0.683118 0.837315 O\n0.456759 0.218861 0.715868 O\n0.126054 0.542891 0.304622 O\n0.873946 0.042891 0.695377 O\n0.546322 0.429767 0.191857 O\n0.453678 0.929767 0.808143 O\n0.662695 0.556783 0.476367 O\n0.069452 0.183118 0.162684 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ba",
"V",
"P",
"O"
],
"chemical_system": "Ba-O-P-V",
"density": 3.9650120527822112,
"density_atomic": 0.0677943350265578,
"volume": 472.01584007667157,
"volume_molar": 8.882955718410516,
"formula_full": "Ba4 V2 P4 O22",
"formula_reduced": "Ba2VP2O11",
"formula_anonymous": "AB2C2D11",
"energy_above_hull": 2.6894847275000004,
"spacegroup": 4
},
{
"id": "jvasp-95381",
"created_at": "2022-09-04T14:36:20.573799Z",
"updated_at": "2022-09-04T14:36:20.573820Z",
"structure_string": "Lu2 Cl6 O24\n1.0\n7.259265 0.011940 5.713906\n2.780918 6.705489 5.713906\n0.017846 0.011940 9.238254\nLu Cl O\n2 6 24\ndirect\n0.558582 0.558581 0.558581 Lu\n0.058581 0.058581 0.058581 Lu\n0.344209 0.967729 0.688478 Cl\n0.688480 0.344208 0.967729 Cl\n0.967730 0.688479 0.344208 Cl\n0.467730 0.844208 0.188479 Cl\n0.188479 0.467729 0.844207 Cl\n0.844209 0.188479 0.467729 Cl\n0.582761 0.626236 0.252238 O\n0.082761 0.752238 0.126236 O\n0.752239 0.126236 0.082760 O\n0.126236 0.082760 0.752238 O\n0.891831 0.343313 0.418771 O\n0.343314 0.418771 0.891829 O\n0.418771 0.891830 0.343313 O\n0.918772 0.843313 0.391830 O\n0.882758 0.204558 0.279363 O\n0.951767 -0.005367 0.575278 O\n-0.005366 0.575278 0.951765 O\n0.575278 0.951766 -0.005367 O\n0.075278 0.494633 0.451766 O\n0.494634 0.451766 0.075278 O\n0.451767 0.075278 0.494633 O\n0.252239 0.582760 0.626235 O\n0.626237 0.252238 0.582760 O\n0.382758 0.779363 0.704557 O\n0.704559 0.382758 0.779362 O\n0.779364 0.704558 0.382757 O\n0.279363 0.882758 0.204558 O\n0.204558 0.279363 0.882757 O\n0.391831 0.918771 0.843313 O\n0.843314 0.391830 0.918770 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Lu",
"Cl",
"O"
],
"chemical_system": "Cl-Lu-O",
"density": 3.5056789607169554,
"density_atomic": 0.07136565771096781,
"volume": 448.39494269919817,
"volume_molar": 8.438429565645956,
"formula_full": "Lu2 Cl6 O24",
"formula_reduced": "Lu(ClO4)3",
"formula_anonymous": "AB3C12",
"energy_above_hull": 2.35544874703125,
"spacegroup": 161
},
{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
"updated_at": "2022-09-04T14:36:14.303683Z",
"structure_string": "Dy4 Mn8 O20\n1.0\n5.656007 0.000000 0.000000\n0.000000 7.232405 -0.000000\n0.000000 0.000000 8.523048\nDy Mn O\n4 8 20\ndirect\n0.000000 0.137772 0.172285 Dy\n0.000000 0.637772 0.327715 Dy\n0.000000 0.362228 0.672285 Dy\n0.000000 0.862229 0.827715 Dy\n0.255825 0.000000 0.500000 Mn\n0.744176 0.500000 0.000000 Mn\n0.744176 0.000000 0.500000 Mn\n0.255825 0.500000 0.000000 Mn\n0.500000 0.406333 0.351904 Mn\n0.500000 0.593667 0.648096 Mn\n0.500000 0.906334 0.148096 Mn\n0.500000 0.093667 0.851904 Mn\n0.000000 0.334847 0.945273 O\n0.000000 0.665154 0.054728 O\n0.000000 0.834847 0.554728 O\n0.000000 0.165154 0.445272 O\n0.245716 0.896479 0.293014 O\n0.729518 0.500000 0.500000 O\n0.270482 0.000000 0.000000 O\n0.500000 0.154815 0.431929 O\n0.500000 0.845185 0.568071 O\n0.500000 0.654816 0.068071 O\n0.500000 0.345185 0.931929 O\n0.245716 0.396479 0.206986 O\n0.245716 0.603522 0.793015 O\n0.754284 0.896479 0.293014 O\n0.754284 0.103522 0.706986 O\n0.754284 0.603522 0.793015 O\n0.754284 0.396479 0.206986 O\n0.245716 0.103522 0.706986 O\n0.729518 0.000000 0.000000 O\n0.270482 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Mn-O",
"density": 6.713116952215912,
"density_atomic": 0.09178302517608762,
"volume": 348.6483468877534,
"volume_molar": 6.561279439685497,
"formula_full": "Dy4 Mn8 O20",
"formula_reduced": "DyMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.871002310344827,
"spacegroup": 55
},
{
"id": "jvasp-95591",
"created_at": "2022-09-04T14:36:14.707614Z",
"updated_at": "2022-09-04T14:36:14.707636Z",
"structure_string": "K2 H2 I4 F24\n1.0\n-4.937769 4.937769 5.203949\n4.937769 -4.937769 5.203949\n4.937769 4.937769 -5.203949\nK H I F\n2 2 4 24\ndirect\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n0.656816 0.156816 0.813630 I\n0.343184 0.843184 0.186370 I\n0.156816 0.343184 0.500000 I\n0.843184 0.656816 0.500000 I\n0.148879 0.289747 0.697003 F\n0.648879 0.951876 0.859132 F\n0.092745 0.789747 0.140868 F\n0.548124 0.851122 0.140868 F\n0.407256 0.548124 0.697003 F\n0.048124 0.907256 0.697003 F\n0.210253 0.351121 0.302998 F\n0.592745 0.451876 0.302998 F\n0.851122 0.710253 0.302998 F\n0.710253 0.407256 0.859132 F\n0.789747 0.648879 0.697003 F\n0.708215 0.791786 0.500000 F\n0.289747 0.592745 0.140868 F\n0.451876 0.148879 0.859132 F\n0.351121 0.048124 0.140868 F\n0.291786 0.208214 0.500000 F\n0.208214 0.708215 0.916429 F\n0.791786 0.291786 0.083571 F\n0.861225 0.361225 0.500000 F\n0.361225 0.861225 0.500000 F\n0.138775 0.638775 0.500000 F\n0.638775 0.138775 0.500000 F\n0.951876 0.092745 0.302998 F\n0.907256 0.210253 0.859132 F\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"H",
"I",
"F"
],
"chemical_system": "F-H-I-K",
"density": 3.4151400335713475,
"density_atomic": 0.06305149923906024,
"volume": 507.52163526947635,
"volume_molar": 9.551146019806772,
"formula_full": "K2 H2 I4 F24",
"formula_reduced": "KH(IF6)2",
"formula_anonymous": "ABC2D12",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-88303",
"created_at": "2022-09-04T14:36:19.089963Z",
"updated_at": "2022-09-04T14:36:19.089994Z",
"structure_string": "Sr8 Cr4 Cl4 O16\n1.0\n6.530299 0.000000 0.000000\n-0.000000 7.512988 0.000000\n0.000000 0.000000 11.457768\nSr Cr Cl O\n8 4 4 16\ndirect\n0.136093 0.465533 0.250000 Sr\n0.621079 0.250000 0.000000 Sr\n0.378921 0.750000 0.000000 Sr\n0.621079 0.250000 0.500000 Sr\n0.136093 0.034467 0.750000 Sr\n0.863907 0.965533 0.250000 Sr\n0.863907 0.534467 0.750000 Sr\n0.378921 0.750000 0.500000 Sr\n0.876527 0.750000 0.500000 Cr\n0.123473 0.250000 0.000000 Cr\n0.876527 0.750000 0.000000 Cr\n0.123473 0.250000 0.500000 Cr\n0.522978 0.674584 0.250000 Cl\n0.477022 0.174584 0.250000 Cl\n0.522978 0.825417 0.750000 Cl\n0.477022 0.325416 0.750000 Cl\n0.034870 0.729245 0.119172 O\n0.281630 0.425610 0.469464 O\n0.718370 0.574390 0.530536 O\n0.281630 0.425610 0.030536 O\n0.965130 0.270755 0.880828 O\n0.718370 0.925611 0.469464 O\n0.965130 0.229245 0.380828 O\n0.034870 0.770755 0.619172 O\n0.718370 0.574390 0.969464 O\n0.965130 0.229245 0.119172 O\n0.281630 0.074390 0.969464 O\n0.965130 0.270755 0.619172 O\n0.034870 0.729245 0.380828 O\n0.281630 0.074390 0.530536 O\n0.718370 0.925611 0.030536 O\n0.034870 0.770755 0.880828 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Sr",
"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Sr",
"density": 3.8600662338297687,
"density_atomic": 0.056925151127558506,
"volume": 562.1416784347932,
"volume_molar": 10.579050983115566,
"formula_full": "Sr8 Cr4 Cl4 O16",
"formula_reduced": "Sr2CrClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6076497609374998,
"spacegroup": 57
},
{
"id": "jvasp-87971",
"created_at": "2022-09-04T14:36:19.937361Z",
"updated_at": "2022-09-04T14:36:19.937389Z",
"structure_string": "K16 Zn4 O12\n1.0\n6.961146 -0.042070 0.069427\n2.896021 8.106026 1.886813\n0.026860 0.012073 10.897112\nK Zn O\n16 4 12\ndirect\n0.162491 0.877611 0.621508 K\n0.900387 0.864593 0.203322 K\n0.837509 0.122389 0.378492 K\n0.223405 0.342494 0.009784 K\n0.622053 0.082519 0.883473 K\n0.377128 0.087178 0.336629 K\n0.622872 0.912822 0.663371 K\n0.022642 0.438723 0.294284 K\n0.977359 0.561277 0.705716 K\n0.489972 0.537266 0.801681 K\n0.510028 0.462735 0.198318 K\n0.690398 0.355949 0.587550 K\n0.776595 0.657506 0.990216 K\n0.377947 0.917481 0.116527 K\n0.309602 0.644051 0.412449 K\n0.099614 0.135407 0.796678 K\n0.833040 0.230221 0.060144 Zn\n0.166961 0.769779 0.939855 Zn\n0.284633 0.282136 0.563435 Zn\n0.715368 0.717864 0.436565 Zn\n0.061490 0.160453 0.181964 O\n0.938511 0.839547 0.818035 O\n0.352040 0.317915 0.722812 O\n0.395177 0.844617 0.889302 O\n0.604823 0.155383 0.110698 O\n0.148834 0.631104 0.098451 O\n0.851167 0.368896 0.901549 O\n0.446584 0.316973 0.422210 O\n0.553417 0.683027 0.577790 O\n0.071316 0.199771 0.533200 O\n0.928684 0.800230 0.466800 O\n0.647960 0.682085 0.277188 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Zn",
"O"
],
"chemical_system": "K-O-Zn",
"density": 2.908955284851587,
"density_atomic": 0.05194399473381372,
"volume": 616.0481142042224,
"volume_molar": 11.593526433344948,
"formula_full": "K16 Zn4 O12",
"formula_reduced": "K4ZnO3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.1063399374999999,
"spacegroup": 2
},
{
"id": "jvasp-98305",
"created_at": "2022-09-04T14:36:11.829666Z",
"updated_at": "2022-09-04T14:36:11.829692Z",
"structure_string": "K8 Mn4 Sn4 Se16\n1.0\n8.257138 -0.000000 0.000000\n-0.000000 10.635922 0.000000\n0.000000 0.000000 10.635922\nK Mn Sn Se\n8 4 4 16\ndirect\n0.750000 0.252700 0.247300 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.747300 0.752699 K\n0.250000 0.000000 0.500000 K\n0.750000 0.500000 0.000000 K\n0.250000 0.247300 0.747300 K\n0.250000 0.752699 0.252700 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.750000 0.000000 0.500000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.221512 0.721511 Sn\n0.750000 0.778488 0.278488 Sn\n0.250000 0.278488 0.221512 Sn\n0.250000 0.721511 0.778488 Sn\n0.395449 0.937216 0.788043 Se\n0.895450 0.437216 0.711956 Se\n0.895450 0.562784 0.288044 Se\n0.568085 0.194877 0.525304 Se\n0.604551 0.788043 0.062784 Se\n0.604551 0.211956 0.937216 Se\n0.568085 0.805123 0.474696 Se\n0.431915 0.525304 0.805123 Se\n0.931915 0.025304 0.694877 Se\n0.104551 0.711956 0.562784 Se\n0.431915 0.474696 0.194877 Se\n0.931915 0.974696 0.305123 Se\n0.104551 0.288044 0.437216 Se\n0.068085 0.305123 0.025304 Se\n0.068085 0.694877 0.974696 Se\n0.395449 0.062784 0.211956 Se\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Mn",
"Sn",
"Se"
],
"chemical_system": "K-Mn-Se-Sn",
"density": 4.036792309621858,
"density_atomic": 0.03425864233594607,
"volume": 934.0708743272007,
"volume_molar": 17.578457140670857,
"formula_full": "K8 Mn4 Sn4 Se16",
"formula_reduced": "K2MnSnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.114614801005747,
"spacegroup": 118
},
{
"id": "jvasp-95994",
"created_at": "2022-09-04T14:35:58.564642Z",
"updated_at": "2022-09-04T14:35:58.564657Z",
"structure_string": "Ca4 Be4 P4 O16 F4\n1.0\n4.752510 0.000000 -0.052319\n0.000000 7.713565 0.000000\n-0.089250 0.000000 9.788041\nCa Be P O F\n4 4 4 16 4\ndirect\n0.004209 0.888042 0.670276 Ca\n0.995791 0.111958 0.329724 Ca\n0.004209 0.611959 0.170276 Ca\n0.995791 0.388042 0.829724 Ca\n0.452840 0.914336 0.161513 Be\n0.547160 0.414335 0.338487 Be\n0.547160 0.085665 0.838487 Be\n0.452840 0.585665 0.661513 Be\n0.476142 0.228398 0.581222 P\n0.523858 0.728398 0.918778 P\n0.476142 0.271602 0.081222 P\n0.523858 0.771603 0.418778 P\n0.338065 0.109196 0.146510 O\n0.316554 0.845796 0.306665 O\n0.683446 0.154205 0.693335 O\n0.653359 0.217772 0.956814 O\n0.653359 0.282228 0.456814 O\n0.346641 0.782229 0.043186 O\n0.246879 0.099731 0.539141 O\n0.753121 0.599732 0.960859 O\n0.661935 0.609197 0.353490 O\n0.316554 0.654205 0.806665 O\n0.346641 0.717772 0.543186 O\n0.683445 0.345796 0.193335 O\n0.661935 0.890804 0.853490 O\n0.338065 0.390804 0.646510 O\n0.246879 0.400269 0.039141 O\n0.753121 0.900269 0.460859 O\n0.214473 0.407322 0.326184 F\n0.214473 0.092678 0.826184 F\n0.785527 0.592679 0.673816 F\n0.785527 0.907322 0.173816 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ca",
"Be",
"P",
"O",
"F"
],
"chemical_system": "Be-Ca-F-O-P",
"density": 3.018742160284039,
"density_atomic": 0.0891907082067758,
"volume": 358.78176822873314,
"volume_molar": 6.751982219984771,
"formula_full": "Ca4 Be4 P4 O16 F4",
"formula_reduced": "CaBePO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 1.6313282878125,
"spacegroup": 14
},
{
"id": "jvasp-91444",
"created_at": "2022-09-04T14:35:58.581054Z",
"updated_at": "2022-09-04T14:35:58.581084Z",
"structure_string": "Zn4 Ga12 N12 O4\n1.0\n6.458251 -0.000233 -0.001605\n-3.229324 5.593434 0.005504\n-0.002600 0.008822 10.512830\nZn Ga N O\n4 12 12 4\ndirect\n0.837609 0.660923 0.746428 Zn\n0.659985 0.322276 0.996123 Zn\n0.666166 0.832387 0.495103 Zn\n0.322893 0.161752 0.243261 Zn\n0.175034 0.839953 0.001843 Ga\n0.841633 0.165722 0.252014 Ga\n0.330332 0.664168 0.250392 Ga\n0.678315 0.337914 0.502186 Ga\n0.840736 0.675149 0.252157 Ga\n0.162178 0.820922 0.501990 Ga\n0.664305 0.840190 0.000631 Ga\n0.165424 0.331356 0.000334 Ga\n0.332705 0.164690 0.750203 Ga\n0.325292 0.664857 0.750518 Ga\n0.835041 0.173807 0.752214 Ga\n0.161307 0.340154 0.500307 Ga\n0.163350 0.339120 0.185798 N\n0.666270 0.832962 0.187443 N\n0.333292 0.666243 0.936686 N\n0.323111 0.162765 0.936311 N\n0.166998 0.333193 0.686587 N\n0.163058 0.823692 0.185791 N\n0.327444 0.663360 0.436152 N\n0.836708 0.172737 0.436282 N\n0.838562 0.163045 0.936149 N\n0.175520 0.838553 0.685949 N\n0.660162 0.322881 0.686560 N\n0.836947 0.662635 0.436842 N\n0.677885 0.339322 0.195254 O\n0.333578 0.167329 0.445823 O\n0.660618 0.837888 0.697120 O\n0.837541 0.678051 0.945531 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"N",
"O"
],
"chemical_system": "Ga-N-O-Zn",
"density": 5.817338950884094,
"density_atomic": 0.08426481623695029,
"volume": 379.75517456795853,
"volume_molar": 7.146684736208183,
"formula_full": "Zn4 Ga12 N12 O4",
"formula_reduced": "ZnGa3N3O",
"formula_anonymous": "ABC3D3",
"energy_above_hull": 2.080288828125,
"spacegroup": 1
}
]
}