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=100",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=98",
"results": [
{
"id": "jvasp-98004",
"created_at": "2022-09-04T14:36:06.496214Z",
"updated_at": "2022-09-04T14:36:06.496240Z",
"structure_string": "Ca6 Mn4 O14\n1.0\n5.182445 0.000000 -1.409989\n0.000000 5.257465 0.000000\n-0.085008 -0.000000 9.916639\nCa Mn O\n6 4 14\ndirect\n0.553158 0.750001 0.629304 Ca\n0.923854 0.750001 0.370696 Ca\n0.076145 0.250000 0.629304 Ca\n0.446841 0.250000 0.370696 Ca\n0.744380 0.750001 -0.000000 Ca\n0.255619 0.250000 -0.000000 Ca\n0.150212 0.750001 0.802560 Mn\n0.849787 0.250000 0.197439 Mn\n0.652347 0.250000 0.802560 Mn\n0.347652 0.750001 0.197440 Mn\n0.113351 0.500000 0.226702 O\n0.886648 0.000000 0.773298 O\n0.108627 0.750001 0.606759 O\n0.113351 0.000000 0.226702 O\n0.886648 0.500000 0.773298 O\n0.417240 0.000000 0.834481 O\n0.582759 0.500000 0.165519 O\n0.582759 0.000000 0.165519 O\n0.417240 0.500000 0.834481 O\n0.498131 0.250000 0.606759 O\n0.891372 0.250000 0.393241 O\n0.501868 0.750001 0.393241 O\n0.826016 0.250000 -0.000000 O\n0.173983 0.750001 -0.000000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.214811128904916,
"density_atomic": 0.08903273511199043,
"volume": 269.56377303035157,
"volume_molar": 6.763962437439454,
"formula_full": "Ca6 Mn4 O14",
"formula_reduced": "Ca3Mn2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.2226558535632184,
"spacegroup": 63
},
{
"id": "jvasp-98002",
"created_at": "2022-09-04T14:36:03.672632Z",
"updated_at": "2022-09-04T14:36:03.672658Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n5.380311 0.005261 0.000000\n-1.948399 6.283785 0.000000\n0.000000 0.000000 26.737467\nK Mn P O\n2 12 14 48\ndirect\n0.780765 0.376445 0.750000 K\n0.219235 0.623555 0.250000 K\n0.622870 0.278037 0.316655 Mn\n0.687627 0.684858 0.044670 Mn\n0.312373 0.315143 0.544670 Mn\n0.312373 0.315143 0.955331 Mn\n0.687627 0.684858 0.455331 Mn\n0.377130 0.721964 0.816655 Mn\n0.708679 0.086189 0.598061 Mn\n0.708679 0.086189 0.901939 Mn\n0.291321 0.913812 0.401939 Mn\n0.622870 0.278037 0.183345 Mn\n0.377130 0.721964 0.683346 Mn\n0.291321 0.913812 0.098061 Mn\n0.752067 0.806059 0.167840 P\n0.247933 0.193942 0.667840 P\n0.247933 0.193942 0.832160 P\n0.752067 0.806059 0.332160 P\n0.044816 0.092470 0.250000 P\n0.789977 0.204589 0.024437 P\n0.955184 0.907531 0.750000 P\n0.210022 0.795411 0.975563 P\n0.789977 0.204589 0.475563 P\n0.185769 0.383507 0.110068 P\n0.814231 0.616493 0.610068 P\n0.814231 0.616493 0.889932 P\n0.185769 0.383507 0.389932 P\n0.210022 0.795411 0.524437 P\n0.361272 0.606107 0.095925 O\n0.046280 0.292343 0.441928 O\n0.953720 0.707657 0.941928 O\n0.953720 0.707657 0.558072 O\n0.638728 0.393894 0.595926 O\n0.627562 0.995074 0.451958 O\n0.372438 0.004927 0.548042 O\n0.330108 0.217789 0.250000 O\n0.046280 0.292343 0.058072 O\n0.372438 0.004927 0.951958 O\n0.891503 0.794523 0.118562 O\n0.349423 0.232582 0.122524 O\n0.003082 0.937188 0.296865 O\n-0.003082 0.062812 0.796865 O\n-0.003082 0.062812 0.703136 O\n0.003082 0.937188 0.203136 O\n0.635873 0.596341 0.305440 O\n0.364127 0.403660 0.805440 O\n0.364127 0.403660 0.694560 O\n0.635873 0.596341 0.194560 O\n0.565143 0.943169 0.333760 O\n0.434857 0.056832 0.833760 O\n0.434857 0.056832 0.666241 O\n0.565143 0.943169 0.166241 O\n0.891503 0.794523 0.381438 O\n0.108497 0.205477 0.881438 O\n0.108497 0.205477 0.618562 O\n0.151536 0.782674 0.750000 O\n0.361272 0.606107 0.404075 O\n0.848464 0.217327 0.250000 O\n0.669892 0.782212 0.750000 O\n0.650576 0.767419 0.622524 O\n0.650576 0.767419 0.877477 O\n0.349423 0.232582 0.377476 O\n0.989719 0.386079 0.150150 O\n0.010281 0.613921 0.650150 O\n0.010281 0.613921 0.849850 O\n0.989719 0.386079 0.349850 O\n0.640373 0.369786 0.478157 O\n0.359627 0.630214 0.978157 O\n0.359627 0.630214 0.521843 O\n0.640373 0.369786 0.021843 O\n0.910816 0.173879 0.526083 O\n0.089184 0.826122 0.026083 O\n0.089184 0.826122 0.473917 O\n0.910816 0.173879 0.973918 O\n0.627562 0.995074 0.048042 O\n0.638728 0.393894 0.904075 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"K",
"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P",
"density": 3.5608941280948505,
"density_atomic": 0.08404908286984228,
"volume": 904.2335431273292,
"volume_molar": 7.16502852187672,
"formula_full": "K2 Mn12 P14 O48",
"formula_reduced": "KMn6P7O24",
"formula_anonymous": "AB6C7D24",
"energy_above_hull": 3.462903524954628,
"spacegroup": 11
},
{
"id": "jvasp-98001",
"created_at": "2022-09-04T14:35:59.876204Z",
"updated_at": "2022-09-04T14:35:59.876229Z",
"structure_string": "Li2 Mn2 O8\n1.0\n4.972757 0.028065 0.000000\n-1.950786 4.574224 -0.000000\n-0.000000 0.000000 6.241686\nLi Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.360846 0.639153 0.750000 Mn\n0.639154 0.360847 0.250000 Mn\n0.249752 0.750247 0.960794 O\n0.716855 0.767837 0.750000 O\n0.750248 0.249754 0.039206 O\n0.750248 0.249754 0.460794 O\n0.249752 0.750247 0.539207 O\n0.767837 0.716855 0.250000 O\n0.232163 0.283145 0.750000 O\n0.283145 0.232163 0.250000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.9374035649089505,
"density_atomic": 0.08431806111254679,
"volume": 142.31826303480267,
"volume_molar": 7.142171772619054,
"formula_full": "Li2 Mn2 O8",
"formula_reduced": "LiMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4210818735632187,
"spacegroup": 63
},
{
"id": "jvasp-9800",
"created_at": "2022-09-04T14:37:27.630647Z",
"updated_at": "2022-09-04T14:37:27.630657Z",
"structure_string": "Zn2 Bi4 O10\n1.0\n-3.799462 -0.069595 0.123475\n-0.103259 -5.238345 0.158742\n1.315969 0.730733 11.825253\nZn Bi O\n2 4 10\ndirect\n0.376875 0.795036 0.773039 Zn\n0.975304 0.132063 0.206270 Zn\n0.977384 0.279211 0.865058 Bi\n0.440387 0.602397 0.095642 Bi\n0.051982 0.684749 0.393871 Bi\n0.641880 0.275137 0.574746 Bi\n0.012579 0.535656 0.226971 O\n0.644534 0.493024 0.736585 O\n0.180284 0.646915 0.909607 O\n0.958247 0.312736 0.046762 O\n0.097706 0.535413 0.560689 O\n0.562803 0.512305 0.403384 O\n0.035885 0.053072 0.708291 O\n0.033158 0.074399 0.403653 O\n0.477441 -0.012288 0.190901 O\n0.504950 0.077328 0.889701 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 7.9098107938179645,
"density_atomic": 0.06764189015298794,
"volume": 236.53981229401282,
"volume_molar": 8.902975281115774,
"formula_full": "Zn2 Bi4 O10",
"formula_reduced": "ZnBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.6538808125,
"spacegroup": 1
},
{
"id": "jvasp-97999",
"created_at": "2022-09-04T14:35:58.710572Z",
"updated_at": "2022-09-04T14:35:58.710589Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n5.130725 0.002956 1.367391\n1.528511 6.287573 0.768923\n0.000478 0.035224 6.516132\nLi V Si O\n2 2 4 12\ndirect\n0.749998 0.263330 0.736662 Li\n0.249999 0.736662 0.263330 Li\n0.750005 0.910091 0.089913 V\n0.250003 0.089913 0.910091 V\n0.770003 0.794483 0.609625 Si\n0.229991 0.205516 0.390376 Si\n0.270002 0.609625 0.794482 Si\n0.729991 0.390378 0.205517 Si\n0.063219 0.648876 0.637480 O\n0.563219 0.637480 0.648875 O\n0.936754 0.351105 0.362540 O\n0.171952 0.107681 0.632410 O\n0.845743 0.207662 0.027866 O\n0.154259 0.792338 0.972136 O\n0.328073 0.367588 0.892311 O\n0.828075 0.892312 0.367588 O\n0.671953 0.632411 0.107682 O\n0.345746 0.027866 0.207659 O\n0.436755 0.362540 0.351106 O\n0.654258 0.972135 0.792339 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.3201238369971287,
"density_atomic": 0.09518811051058626,
"volume": 210.11027420042882,
"volume_molar": 6.326568231785894,
"formula_full": "Li2 V2 Si4 O12",
"formula_reduced": "LiV(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.8149222400000005,
"spacegroup": 15
},
{
"id": "jvasp-97998",
"created_at": "2022-09-04T14:35:57.019056Z",
"updated_at": "2022-09-04T14:35:57.019086Z",
"structure_string": "K4 P4 Se24\n1.0\n6.789450 0.000000 0.000000\n0.000000 11.189078 0.000000\n0.000000 0.000000 11.750679\nK P Se\n4 4 24\ndirect\n0.821901 0.353545 0.868405 K\n0.178099 0.853545 0.131595 K\n0.178099 0.353545 0.368405 K\n0.821901 0.853545 0.631595 K\n0.232610 0.657706 0.823108 P\n0.767390 0.157706 0.176892 P\n0.767390 0.657706 0.323108 P\n0.232610 0.157706 0.676892 P\n0.260722 0.137073 0.870085 Se\n0.260722 0.637073 0.629915 Se\n0.739278 0.137073 0.370085 Se\n0.732280 0.543266 0.599511 Se\n0.336746 0.478077 0.907598 Se\n0.267720 0.543266 0.099511 Se\n0.732280 0.043266 0.900489 Se\n0.739278 0.637073 0.129915 Se\n0.663254 0.978078 0.092402 Se\n0.267720 0.043266 0.400489 Se\n0.559561 0.804107 0.361729 Se\n0.937656 0.955272 0.376352 Se\n0.440439 0.804107 0.861729 Se\n0.559561 0.304107 0.138271 Se\n0.663254 0.478077 0.407598 Se\n0.062344 0.455271 0.623648 Se\n0.062344 0.955272 0.876352 Se\n0.937656 0.455271 0.123648 Se\n0.916156 0.186664 0.636618 Se\n0.083844 0.686664 0.363382 Se\n0.083844 0.186664 0.136618 Se\n0.916156 0.686664 0.863382 Se\n0.440439 0.304107 0.638271 Se\n0.336746 0.978078 0.592402 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"P",
"Se"
],
"chemical_system": "K-P-Se",
"density": 4.046523236952698,
"density_atomic": 0.035847437814302746,
"volume": 892.6718881769659,
"volume_molar": 16.79936175967709,
"formula_full": "K4 P4 Se24",
"formula_reduced": "KPSe6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.4698017124999998,
"spacegroup": 29
},
{
"id": "jvasp-97997",
"created_at": "2022-09-04T14:35:51.829297Z",
"updated_at": "2022-09-04T14:35:51.829323Z",
"structure_string": "Ag6 F18\n1.0\n5.029046 0.000000 -0.000000\n-2.514523 4.355281 -0.000000\n-0.000000 -0.000000 14.989734\nAg F\n6 18\ndirect\n0.333362 0.666724 0.250000 Ag\n0.666724 0.333362 0.083333 Ag\n0.333277 0.666638 0.583333 Ag\n0.333362 0.666638 0.916666 Ag\n0.666639 0.333276 0.750000 Ag\n0.666639 0.333362 0.416667 Ag\n0.656933 0.656797 -0.000024 F\n0.343068 -0.000135 0.666691 F\n0.656798 0.656932 0.333358 F\n0.343204 0.343068 0.833358 F\n0.656933 0.000135 0.166691 F\n0.000135 0.343203 0.000024 F\n0.000135 0.656932 0.166642 F\n0.000000 0.343259 0.333333 F\n0.000000 0.656740 0.833333 F\n0.343260 0.343259 0.166667 F\n0.343260 0.000000 0.000000 F\n-0.000135 0.343068 0.666642 F\n-0.000135 0.656797 0.500024 F\n0.343203 0.000135 0.333309 F\n0.656797 -0.000135 0.833309 F\n0.343068 0.343203 0.499975 F\n0.656741 0.656740 0.666666 F\n0.656741 0.000000 0.500000 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ag",
"F"
],
"chemical_system": "Ag-F",
"density": 5.002981654549276,
"density_atomic": 0.07309968858925082,
"volume": 328.31877212031185,
"volume_molar": 8.238257749412007,
"formula_full": "Ag6 F18",
"formula_reduced": "AgF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 182
},
{
"id": "jvasp-97996",
"created_at": "2022-09-04T14:37:52.229230Z",
"updated_at": "2022-09-04T14:37:52.229243Z",
"structure_string": "K8 W4 Se16\n1.0\n7.142527 0.000000 0.000000\n-0.000000 9.744263 0.000000\n0.000000 0.000000 12.570350\nK W Se\n8 4 16\ndirect\n0.750000 0.552341 0.653081 K\n0.250000 0.447659 0.346919 K\n0.750000 0.052341 0.846919 K\n0.250000 0.947659 0.153081 K\n0.750000 0.839785 0.382396 K\n0.250000 0.160215 0.617604 K\n0.750000 0.339785 0.117604 K\n0.250000 0.660215 0.882396 K\n0.250000 0.249941 0.934667 W\n0.750000 0.250059 0.434667 W\n0.750000 0.750059 0.065333 W\n0.250000 0.749940 0.565333 W\n0.750000 0.484001 0.385823 Se\n0.750000 0.721370 0.880375 Se\n0.011490 0.640327 0.135996 Se\n0.250000 0.015999 0.885823 Se\n0.488510 0.140327 0.364004 Se\n0.988511 0.859673 0.635996 Se\n0.488510 0.640327 0.135996 Se\n0.511490 0.359673 0.864004 Se\n0.511490 0.859673 0.635996 Se\n0.011490 0.140327 0.364004 Se\n0.988511 0.359673 0.864004 Se\n0.750000 0.221370 0.619625 Se\n0.250000 0.278630 0.119625 Se\n0.250000 0.778629 0.380375 Se\n0.750000 0.984000 0.114177 Se\n0.250000 0.515999 0.614177 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"W",
"Se"
],
"chemical_system": "K-Se-W",
"density": 4.387285933835491,
"density_atomic": 0.03200440616550159,
"volume": 874.8795354991449,
"volume_molar": 18.816598967211668,
"formula_full": "K8 W4 Se16",
"formula_reduced": "K2WSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7743742095238093,
"spacegroup": 62
},
{
"id": "jvasp-97993",
"created_at": "2022-09-04T14:38:14.704549Z",
"updated_at": "2022-09-04T14:38:14.704571Z",
"structure_string": "Ba6 Mg2 Sb4 O18\n1.0\n5.899425 -0.000000 0.000000\n-2.949713 5.109052 -0.000000\n-0.000000 -0.000000 14.578408\nBa Mg Sb O\n6 2 4 18\ndirect\n0.000000 0.000000 0.250000 Ba\n0.333334 0.666666 0.910867 Ba\n0.666667 0.333333 0.410867 Ba\n0.666667 0.333333 0.089133 Ba\n0.333334 0.666666 0.589133 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666666 0.349156 Sb\n0.666667 0.333333 0.849156 Sb\n0.333334 0.666666 0.150844 Sb\n0.666667 0.333333 0.650844 Sb\n0.517015 0.034029 0.750000 O\n0.482986 0.517014 0.250000 O\n0.034029 0.517014 0.250000 O\n0.168081 0.831919 0.083277 O\n0.482986 0.965971 0.250000 O\n0.168081 0.336162 0.416723 O\n0.831920 0.168081 0.916723 O\n0.336162 0.168081 0.916723 O\n0.663839 0.831919 0.416723 O\n0.168081 0.831919 0.416723 O\n0.831920 0.663838 0.583277 O\n0.831920 0.168081 0.583277 O\n0.831920 0.663838 0.916723 O\n0.336162 0.168081 0.583277 O\n0.663839 0.831919 0.083277 O\n0.168081 0.336162 0.083277 O\n0.517015 0.482986 0.750000 O\n0.965972 0.482986 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Mg",
"Sb",
"O"
],
"chemical_system": "Ba-Mg-O-Sb",
"density": 6.2264583783948435,
"density_atomic": 0.06827491167874808,
"volume": 439.40005577975865,
"volume_molar": 8.820429952858527,
"formula_full": "Ba6 Mg2 Sb4 O18",
"formula_reduced": "Ba3MgSb2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 1.764627377333333,
"spacegroup": 194
},
{
"id": "jvasp-97992",
"created_at": "2022-09-04T14:38:07.216738Z",
"updated_at": "2022-09-04T14:38:07.216764Z",
"structure_string": "Ba2 Y1 Sb1 O6\n1.0\n5.721782 0.000000 3.303472\n1.907261 5.394547 3.303472\n0.000000 0.000000 6.606944\nBa Y Sb O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.499999 Sb\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.500000 0.499999 O\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb-Y",
"density": 4.733415696382683,
"density_atomic": 0.0490357797654216,
"volume": 203.93272112400803,
"volume_molar": 12.281115521786015,
"formula_full": "Ba2 Y1 Sb1 O6",
"formula_reduced": "Ba2YSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.136884449,
"spacegroup": 225
},
{
"id": "jvasp-97990",
"created_at": "2022-09-04T14:35:52.832659Z",
"updated_at": "2022-09-04T14:35:52.832678Z",
"structure_string": "Sr32 Ge8 P32\n1.0\n12.522425 -0.000000 -0.000000\n0.000000 12.522425 0.000000\n-0.000000 0.000000 12.522425\nSr Ge P\n32 8 32\ndirect\n0.645064 0.645064 0.645064 Sr\n0.903980 0.867339 0.644795 Sr\n0.903980 0.132660 0.355204 Sr\n0.867339 0.644795 0.903980 Sr\n0.132660 0.644795 0.096020 Sr\n0.644795 0.903980 0.867339 Sr\n0.355204 0.096020 0.867339 Sr\n0.596019 0.855204 0.367339 Sr\n0.596019 0.144795 0.632660 Sr\n0.403980 0.855204 0.632660 Sr\n0.144795 0.632660 0.596019 Sr\n0.632660 0.403980 0.855204 Sr\n0.632660 0.596019 0.144795 Sr\n0.855204 0.367339 0.596019 Sr\n0.855204 0.632660 0.403980 Sr\n0.367339 0.596019 0.855204 Sr\n0.367339 0.403980 0.144795 Sr\n0.854935 0.854935 0.145064 Sr\n0.145064 0.854935 0.854935 Sr\n0.354936 0.354936 0.645064 Sr\n0.645064 0.354936 0.354936 Sr\n0.354936 0.645064 0.354936 Sr\n0.144795 0.367339 0.403980 Sr\n0.403980 0.144795 0.367339 Sr\n0.145064 0.145064 0.145064 Sr\n0.096020 0.132660 0.644795 Sr\n0.132660 0.355204 0.903980 Sr\n0.867339 0.355204 0.096020 Sr\n0.644795 0.096020 0.132660 Sr\n0.355204 0.903980 0.132660 Sr\n0.096020 0.867339 0.355204 Sr\n0.854935 0.145064 0.854935 Sr\n0.000000 0.500000 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.250000 0.000000 0.500000 Ge\n0.000000 0.500000 0.250000 Ge\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.750000 0.000000 0.500000 Ge\n0.646729 0.107656 0.381584 P\n0.892343 0.618415 0.646729 P\n0.107656 0.618415 0.353270 P\n0.618415 0.646729 0.892343 P\n0.381584 0.353270 0.892343 P\n0.853270 0.881584 0.392343 P\n0.118415 0.392343 0.146730 P\n0.146730 0.881584 0.607656 P\n0.118415 0.607656 0.853270 P\n0.607656 0.146730 0.881584 P\n0.607656 0.853270 0.118415 P\n0.881584 0.392343 0.853270 P\n0.392343 0.853270 0.881584 P\n0.881584 0.607656 0.146730 P\n0.853270 0.118415 0.607656 P\n0.392343 0.146730 0.118415 P\n0.618415 0.353270 0.107656 P\n0.892343 0.381584 0.353270 P\n0.107656 0.381584 0.646729 P\n0.353270 0.107656 0.618415 P\n0.353270 0.892343 0.381584 P\n0.146730 0.118415 0.392343 P\n0.890566 0.890566 0.890566 P\n0.609434 0.390566 0.609434 P\n0.390566 0.609434 0.609434 P\n0.609434 0.609434 0.390566 P\n0.890566 0.109434 0.109434 P\n0.109434 0.109434 0.890566 P\n0.109434 0.890566 0.109434 P\n0.390566 0.390566 0.390566 P\n0.381584 0.646729 0.107656 P\n0.646729 0.892343 0.618415 P\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"P"
],
"chemical_system": "Ge-P-Sr",
"density": 3.700607633027335,
"density_atomic": 0.03666630769578063,
"volume": 1963.6555880505357,
"volume_molar": 16.424181049167917,
"formula_full": "Sr32 Ge8 P32",
"formula_reduced": "Sr4GeP4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.2516603544444445,
"spacegroup": 218
},
{
"id": "jvasp-9799",
"created_at": "2022-09-04T14:37:34.082839Z",
"updated_at": "2022-09-04T14:37:34.082863Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.221909 0.046865 -0.268941\n1.489733 8.438521 -0.104295\n0.781796 1.550016 9.433000\nCa Sn O\n4 4 8\ndirect\n0.791818 0.930421 0.686743 Ca\n0.212330 0.089660 0.285043 Ca\n0.167047 0.179907 0.918325 Ca\n0.837104 0.840173 0.053463 Ca\n0.406942 0.700277 0.420566 Sn\n0.465564 0.581234 0.825606 Sn\n0.538586 0.438856 0.146199 Sn\n0.597213 0.319810 0.551233 Sn\n0.619790 0.274899 0.336418 O\n0.416913 0.679826 0.191415 O\n0.587237 0.340265 0.780387 O\n0.384373 0.745179 0.635385 O\n0.820494 0.873661 0.381297 O\n0.297987 0.919215 0.877652 O\n0.183664 0.146424 0.590514 O\n0.706165 0.100865 0.094137 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.921734208059793,
"density_atomic": 0.062141356099029786,
"volume": 257.4774836664662,
"volume_molar": 9.691035307312877,
"formula_full": "Ca4 Sn4 O8",
"formula_reduced": "CaSnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6639692416666664,
"spacegroup": 12
}
]
}