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=formula_full&page=176",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=174",
"results": [
{
"id": "jvasp-97417",
"created_at": "2022-09-04T14:35:59.152718Z",
"updated_at": "2022-09-04T14:35:59.152744Z",
"structure_string": "Ba12 Sb16 O4\n1.0\n7.066636 -0.007851 0.000000\n-2.079456 12.108545 0.000000\n0.000000 0.000000 12.887271\nBa Sb O\n12 16 4\ndirect\n0.671183 0.479096 0.768359 Ba\n0.752552 0.547086 0.441321 Ba\n0.607606 0.221086 0.551525 Ba\n0.392394 0.778914 0.448475 Ba\n0.107606 0.721087 0.948475 Ba\n0.252552 0.047086 0.058679 Ba\n0.828818 0.020904 0.268360 Ba\n0.747449 0.952915 0.941321 Ba\n0.892394 0.278914 0.051525 Ba\n0.328817 0.520904 0.231640 Ba\n0.247449 0.452915 0.558679 Ba\n0.171182 0.979096 0.731640 Ba\n0.661777 0.939553 0.655581 Sb\n0.535605 0.185064 0.842092 Sb\n0.945560 0.234781 0.766121 Sb\n0.445560 0.734781 0.733878 Sb\n0.086770 0.157393 0.485832 Sb\n0.838223 0.560448 0.155581 Sb\n0.554440 0.265219 0.266121 Sb\n0.464396 0.814937 0.157908 Sb\n0.035604 0.685064 0.657908 Sb\n0.964396 0.314937 0.342092 Sb\n0.161777 0.439552 0.844419 Sb\n0.413230 0.342607 0.985832 Sb\n0.338223 0.060448 0.344419 Sb\n0.913230 0.842608 0.514168 Sb\n0.586770 0.657393 0.014168 Sb\n0.054440 0.765219 0.233878 Sb\n0.588491 0.420534 0.586575 O\n0.911510 0.079466 0.086575 O\n0.088490 0.920534 0.913425 O\n0.411509 0.579466 0.413425 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"O"
],
"chemical_system": "Ba-O-Sb",
"density": 5.512607761873187,
"density_atomic": 0.029024664287826858,
"volume": 1102.5105986642202,
"volume_molar": 20.748356295461882,
"formula_full": "Ba12 Sb16 O4",
"formula_reduced": "Ba3Sb4O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.01993447625,
"spacegroup": 14
},
{
"id": "jvasp-98197",
"created_at": "2022-09-04T14:36:14.416064Z",
"updated_at": "2022-09-04T14:36:14.416097Z",
"structure_string": "Ba12 Si16\n1.0\n8.566178 0.000000 0.000000\n0.000000 8.566178 0.000000\n0.000000 0.000000 11.868058\nBa Si\n12 16\ndirect\n0.334911 0.334911 0.000000 Ba\n0.834911 0.165090 0.500000 Ba\n0.665090 0.665090 0.000000 Ba\n0.000000 0.000000 0.169496 Ba\n0.500000 0.500000 0.669496 Ba\n0.500000 0.500000 0.330504 Ba\n0.000000 0.000000 0.830504 Ba\n0.000000 0.500000 0.250000 Ba\n0.000000 0.500000 0.750000 Ba\n0.500000 0.000000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n0.165090 0.834911 0.500000 Ba\n0.401190 0.199111 0.500000 Si\n0.800889 0.598810 0.500000 Si\n0.799911 0.799911 0.646113 Si\n0.598810 0.800889 0.500000 Si\n0.098810 0.699111 0.000000 Si\n0.300889 0.901190 0.000000 Si\n0.699111 0.098810 0.000000 Si\n0.200089 0.200089 0.353887 Si\n0.299911 0.700090 0.853887 Si\n0.700090 0.299911 0.853887 Si\n0.700090 0.299911 0.146113 Si\n0.299911 0.700090 0.146113 Si\n0.799911 0.799911 0.353887 Si\n0.200089 0.200089 0.646113 Si\n0.901190 0.300889 0.000000 Si\n0.199111 0.401190 0.500000 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 3.999025271108036,
"density_atomic": 0.03215171786401236,
"volume": 870.8710408080744,
"volume_molar": 18.73038568412117,
"formula_full": "Ba12 Si16",
"formula_reduced": "Ba3Si4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.8548331871428565,
"spacegroup": 136
},
{
"id": "jvasp-97335",
"created_at": "2022-09-04T14:36:10.609103Z",
"updated_at": "2022-09-04T14:36:10.609130Z",
"structure_string": "Ba12 Sn8 As16\n1.0\n8.041075 0.012683 0.000000\n-3.091185 7.513612 0.000000\n0.000000 0.000000 20.073030\nBa Sn As\n12 8 16\ndirect\n0.987464 0.740832 0.936158 Ba\n0.990733 0.788997 0.683034 Ba\n0.509266 0.211002 0.183034 Ba\n0.490733 0.788997 0.816966 Ba\n0.006086 0.262193 0.561103 Ba\n0.009267 0.211003 0.316966 Ba\n0.993914 0.737807 0.438897 Ba\n0.506085 0.262193 0.938897 Ba\n0.487465 0.740832 0.563842 Ba\n0.012535 0.259167 0.063842 Ba\n0.493914 0.737807 0.061103 Ba\n0.512535 0.259167 0.436158 Ba\n0.525105 0.209456 0.622810 Sn\n0.901770 0.316710 0.758187 Sn\n0.401771 0.316710 0.741813 Sn\n0.098229 0.683289 0.241813 Sn\n0.598229 0.683289 0.258187 Sn\n0.974895 0.790543 0.122810 Sn\n0.025105 0.209457 0.877190 Sn\n0.474895 0.790543 0.377190 Sn\n0.217067 0.515403 0.698352 As\n0.752018 0.499080 0.064257 As\n0.252018 0.499080 0.435743 As\n0.247982 0.500919 0.935743 As\n0.247334 -0.000458 0.553892 As\n0.252666 0.000458 0.053892 As\n0.752666 0.000458 0.446108 As\n0.747333 -0.000458 0.946108 As\n0.283902 0.967907 0.317330 As\n0.783901 0.967906 0.182670 As\n0.716098 0.032093 0.682670 As\n0.282933 0.484596 0.198352 As\n0.782933 0.484596 0.301648 As\n0.717067 0.515403 0.801648 As\n0.216098 0.032093 0.817330 As\n0.747982 0.500919 0.564257 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"As"
],
"chemical_system": "As-Ba-Sn",
"density": 5.194667555692638,
"density_atomic": 0.02966504171200382,
"volume": 1213.549616733988,
"volume_molar": 20.300462808933688,
"formula_full": "Ba12 Sn8 As16",
"formula_reduced": "Ba3(SnAs2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.132850923333333,
"spacegroup": 14
},
{
"id": "jvasp-97675",
"created_at": "2022-09-04T14:36:20.550773Z",
"updated_at": "2022-09-04T14:36:20.550801Z",
"structure_string": "Ba12 Y8 B24 O60\n1.0\n7.167833 7.167833 7.167833\n7.167833 -7.167833 -7.167833\n-7.167833 7.167833 -7.167833\nBa Y B O\n12 8 24 60\ndirect\n0.118998 0.250000 0.868998 Ba\n0.381001 0.750000 0.631001 Ba\n0.250000 0.131002 0.381001 Ba\n0.750000 0.368998 0.118998 Ba\n0.868998 0.618998 0.750000 Ba\n0.631001 0.881001 0.250000 Ba\n0.881001 0.750000 0.131002 Ba\n0.618998 0.250000 0.368998 Ba\n0.750000 0.868998 0.618998 Ba\n0.250000 0.631001 0.881001 Ba\n0.131002 0.381001 0.250000 Ba\n0.368998 0.118998 0.750000 Ba\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.176446 0.804568 0.755828 B\n0.048741 0.920617 0.744172 B\n0.451259 0.695431 0.371877 B\n0.323554 0.579382 0.128123 B\n0.371877 0.951259 0.195431 B\n0.128123 0.823554 0.079382 B\n0.755828 0.676445 0.304569 B\n0.420618 0.244172 0.048741 B\n0.304569 0.255828 0.176446 B\n0.079382 0.628123 0.323554 B\n0.195431 0.871877 0.451259 B\n0.744172 0.548741 0.420618 B\n0.951259 0.079382 0.255828 B\n0.823554 0.195431 0.244172 B\n0.804568 0.128123 0.548741 B\n0.920617 0.371877 0.676445 B\n0.695431 0.744172 0.823554 B\n0.255828 0.451259 0.579382 B\n0.579382 0.755828 0.951259 B\n0.871877 0.176446 0.920617 B\n0.628123 0.048741 0.804568 B\n0.676445 0.420618 0.871877 B\n0.548741 0.304569 0.628123 B\n0.244172 0.323554 0.695431 B\n0.668075 0.676277 0.697175 O\n0.176277 0.197176 0.668075 O\n0.323722 0.491798 0.520898 O\n0.520898 0.823722 0.991798 O\n0.979102 0.470900 0.802824 O\n0.750000 0.660030 0.410031 O\n0.160031 0.910030 0.750000 O\n0.339969 0.589969 0.250000 O\n0.250000 0.839969 0.089969 O\n0.970899 0.302824 0.979102 O\n0.410031 0.250000 0.160031 O\n0.831924 0.029100 0.508202 O\n0.529100 0.008202 0.831924 O\n0.020898 0.529100 0.197176 O\n0.508202 0.331924 0.529100 O\n0.991798 0.020898 0.323722 O\n0.697175 0.168075 0.176277 O\n0.168075 0.970899 0.491798 O\n0.331924 0.323722 0.302824 O\n0.479102 0.176277 0.008202 O\n0.676277 0.508202 0.479102 O\n0.823722 0.802824 0.331924 O\n0.029100 0.697175 0.020898 O\n0.470900 0.991798 0.168075 O\n0.197176 0.520898 0.029100 O\n0.491798 0.668075 0.470900 O\n0.089969 0.750000 0.339969 O\n0.802824 0.479102 0.970899 O\n0.839969 0.089969 0.250000 O\n0.610175 0.988697 0.680168 O\n0.750000 0.160031 0.910030 O\n0.680168 0.110175 0.488697 O\n0.878522 0.389825 0.569993 O\n0.819831 0.808529 0.930006 O\n0.621477 0.691470 0.011302 O\n0.191471 0.511302 0.621477 O\n0.308529 0.430006 0.819831 O\n0.889825 0.069993 0.878522 O\n0.008202 0.979102 0.676277 O\n0.569993 0.378523 0.889825 O\n0.488697 0.180168 0.610175 O\n0.011302 0.121477 0.191471 O\n0.930006 0.319832 0.308529 O\n0.319832 0.889825 0.511302 O\n0.121477 0.610175 0.430006 O\n0.180168 0.191471 0.069993 O\n0.378523 0.308529 0.988697 O\n0.808529 0.488697 0.378523 O\n0.691470 0.569993 0.180168 O\n0.110175 0.930006 0.121477 O\n0.389825 0.011302 0.319832 O\n0.430006 0.621477 0.110175 O\n0.511302 0.819831 0.389825 O\n0.988697 0.878522 0.808529 O\n0.069993 0.680168 0.691470 O\n0.910030 0.250000 0.660030 O\n0.589969 0.750000 0.839969 O\n0.250000 0.339969 0.589969 O\n0.660030 0.410031 0.750000 O\n0.302824 0.831924 0.823722 O\n",
"nsites": 104,
"nelements": 4,
"elements": [
"Ba",
"Y",
"B",
"O"
],
"chemical_system": "B-Ba-O-Y",
"density": 4.034024050039489,
"density_atomic": 0.07060081474804251,
"volume": 1473.0708189579855,
"volume_molar": 8.529845981936026,
"formula_full": "Ba12 Y8 B24 O60",
"formula_reduced": "Ba3Y2(B2O5)3",
"formula_anonymous": "A2B3C6D15",
"energy_above_hull": 3.2331483388461537,
"spacegroup": 206
},
{
"id": "jvasp-97660",
"created_at": "2022-09-04T14:35:51.074235Z",
"updated_at": "2022-09-04T14:35:51.074257Z",
"structure_string": "Ba14 Na14 Ca1 N6\n1.0\n10.763340 -0.000000 6.214217\n3.587780 10.147774 6.214217\n0.000000 0.000000 12.428434\nBa Na Ca N\n14 14 1 6\ndirect\n0.290573 0.709427 0.709428 Ba\n0.709428 0.709427 0.290573 Ba\n0.290573 0.709427 0.290573 Ba\n0.709428 0.290572 0.709428 Ba\n0.709428 0.290572 0.290573 Ba\n0.108385 0.108385 0.108385 Ba\n0.891615 0.891615 0.325155 Ba\n0.325155 0.891615 0.891615 Ba\n0.891615 0.325155 0.891615 Ba\n0.674845 0.108385 0.108385 Ba\n0.108385 0.674845 0.108385 Ba\n0.108385 0.108385 0.674845 Ba\n0.891615 0.891615 0.891615 Ba\n0.290573 0.290572 0.709427 Ba\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.670205 0.670204 0.670205 Na\n0.329795 0.329795 0.010614 Na\n0.500000 0.000000 0.000000 Na\n0.010614 0.329795 0.329795 Na\n0.670205 0.989386 0.670205 Na\n0.329795 0.010614 0.329795 Na\n0.670205 0.670204 0.989386 Na\n0.329795 0.329795 0.329795 Na\n0.000000 0.000000 0.500000 Na\n0.989386 0.670204 0.670205 Na\n0.000000 0.000000 0.000000 Ca\n0.146036 0.853964 0.853964 N\n0.146036 0.146036 0.853964 N\n0.853964 0.853964 0.146036 N\n0.146036 0.853964 0.146036 N\n0.853964 0.146036 0.853964 N\n0.853964 0.146036 0.146036 N\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ca",
"N"
],
"chemical_system": "Ba-Ca-N-Na",
"density": 2.8973298641868506,
"density_atomic": 0.02578302015730885,
"volume": 1357.4825519452718,
"volume_molar": 23.357002877309824,
"formula_full": "Ba14 Na14 Ca1 N6",
"formula_reduced": "Ba14Na14CaN6",
"formula_anonymous": "AB6C14D14",
"energy_above_hull": 0.6243748428571428,
"spacegroup": 225
},
{
"id": "jvasp-97915",
"created_at": "2022-09-04T14:35:41.052566Z",
"updated_at": "2022-09-04T14:35:41.052599Z",
"structure_string": "Ba14 Na14 Li1 N6\n1.0\n10.725912 0.000000 6.192608\n3.575304 10.112487 6.192608\n0.000000 0.000000 12.385216\nBa Na Li N\n14 14 1 6\ndirect\n0.315446 0.894851 0.894852 Ba\n0.105149 0.684554 0.105149 Ba\n0.105149 0.105149 0.684554 Ba\n0.684553 0.105149 0.105149 Ba\n0.105149 0.105149 0.105149 Ba\n0.706876 0.293124 0.293124 Ba\n0.894851 0.894851 0.315447 Ba\n0.706876 0.293124 0.706877 Ba\n0.894851 0.315447 0.894852 Ba\n0.293123 0.293124 0.706877 Ba\n0.293123 0.706877 0.293124 Ba\n0.293123 0.706877 0.706877 Ba\n0.894851 0.894851 0.894852 Ba\n0.706876 0.706877 0.293124 Ba\n-0.000000 0.500000 0.500000 Na\n-0.000000 -0.000000 0.500000 Na\n0.500000 -0.000000 0.000000 Na\n-0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.328950 0.328951 0.328951 Na\n0.013148 0.328951 0.328951 Na\n0.328951 0.013148 0.328951 Na\n0.986852 0.671050 0.671050 Na\n0.671049 0.671050 0.671050 Na\n0.500000 -0.000000 0.500000 Na\n0.328950 0.328951 0.013148 Na\n0.671049 0.986852 0.671050 Na\n0.671049 0.671050 0.986853 Na\n0.000000 0.000000 0.000000 Li\n0.149745 0.149745 0.850255 N\n0.850254 0.149745 0.149746 N\n0.850254 0.850255 0.149746 N\n0.850254 0.149745 0.850255 N\n0.149745 0.850255 0.850255 N\n0.149745 0.850255 0.149746 N\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Li",
"N"
],
"chemical_system": "Ba-Li-N-Na",
"density": 2.886805686751919,
"density_atomic": 0.026053870692881943,
"volume": 1343.3704501175016,
"volume_molar": 23.114188409806154,
"formula_full": "Ba14 Na14 Li1 N6",
"formula_reduced": "Ba14Na14LiN6",
"formula_anonymous": "AB6C14D14",
"energy_above_hull": 0.6668185451428571,
"spacegroup": 225
},
{
"id": "jvasp-96952",
"created_at": "2022-09-04T14:36:34.501824Z",
"updated_at": "2022-09-04T14:36:34.501847Z",
"structure_string": "Ba16 Zn8 B16 O48\n1.0\n8.781782 0.000000 0.000000\n0.000000 10.270129 0.000000\n0.000000 0.000000 15.023030\nBa Zn B O\n16 8 16 48\ndirect\n0.131411 0.626872 0.385775 Ba\n0.325709 0.890402 0.619200 Ba\n0.868589 0.626872 0.885775 Ba\n0.686767 0.915306 0.402572 Ba\n0.313233 0.915306 0.902572 Ba\n0.325709 0.390402 0.880800 Ba\n0.313233 0.415306 0.597428 Ba\n0.674291 0.390402 0.380800 Ba\n0.210389 0.176689 0.385834 Ba\n0.674291 0.890402 0.119200 Ba\n0.868589 0.126872 0.614225 Ba\n0.686767 0.415306 0.097428 Ba\n0.789611 0.176689 0.885834 Ba\n0.210389 0.676689 0.114166 Ba\n0.131411 0.126872 0.114225 Ba\n0.789611 0.676689 0.614166 Ba\n0.504714 0.149715 0.209846 Zn\n0.495286 0.649715 0.790154 Zn\n0.495286 0.149715 0.709846 Zn\n0.989229 0.402874 0.726303 Zn\n0.989229 0.902874 0.773697 Zn\n0.010771 0.902874 0.273697 Zn\n0.504714 0.649715 0.290154 Zn\n0.010771 0.402874 0.226303 Zn\n0.009187 0.919075 0.486008 B\n0.655011 0.412002 0.734053 B\n0.344989 0.912002 0.265947 B\n0.839066 0.658290 0.248436 B\n0.440453 0.671379 0.488594 B\n0.009187 0.419075 0.013992 B\n0.440453 0.171379 0.011406 B\n0.990813 0.419075 0.513992 B\n0.344989 0.412002 0.234053 B\n0.160933 0.658290 0.748436 B\n0.160933 0.158290 0.751564 B\n0.559546 0.671379 0.988594 B\n0.990813 0.919075 0.986008 B\n0.839066 0.158290 0.251564 B\n0.559546 0.171379 0.511406 B\n0.655011 0.912002 0.765947 B\n0.698294 0.660763 0.033092 O\n0.705409 0.725867 0.266776 O\n0.874942 0.504139 0.492801 O\n0.006477 0.862034 0.901484 O\n0.341701 0.277296 0.230552 O\n0.789616 0.980412 0.754150 O\n0.548111 0.259485 0.982516 O\n0.030740 0.727230 0.725946 O\n0.874942 0.004139 0.007199 O\n0.993522 0.862034 0.401484 O\n0.843263 0.023773 0.245411 O\n0.210384 0.480412 0.245850 O\n0.705409 0.225867 0.233224 O\n0.125057 0.504139 0.992801 O\n0.156737 0.523773 0.754589 O\n0.843263 0.523773 0.254589 O\n0.294591 0.725867 0.766776 O\n0.156737 0.023773 0.745411 O\n0.969260 0.227230 0.274054 O\n0.105567 0.391034 0.454062 O\n0.548111 0.759485 0.517484 O\n0.894433 0.891034 0.545938 O\n0.894433 0.391034 0.954062 O\n0.993522 0.362034 0.098516 O\n0.464455 0.090110 0.085500 O\n0.658298 0.777296 0.769448 O\n0.341701 0.777296 0.269448 O\n0.479653 0.981754 0.274140 O\n0.969260 0.727230 0.225946 O\n0.294591 0.225867 0.733224 O\n0.535544 0.590110 0.914500 O\n0.789616 0.480412 0.745850 O\n0.520347 0.981754 0.774139 O\n0.698294 0.160763 0.466908 O\n0.105567 0.891034 0.045938 O\n0.479653 0.481754 0.225860 O\n0.125057 0.004139 0.507199 O\n0.464455 0.590110 0.414500 O\n0.535544 0.090110 0.585500 O\n0.301706 0.160763 0.966908 O\n0.030740 0.227230 0.774054 O\n0.520347 0.481754 0.725860 O\n0.451889 0.259485 0.482516 O\n0.451889 0.759485 0.017484 O\n0.301706 0.660763 0.533092 O\n0.006477 0.362034 0.598516 O\n0.210384 0.980412 0.254150 O\n0.658298 0.277296 0.730552 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Ba",
"Zn",
"B",
"O"
],
"chemical_system": "B-Ba-O-Zn",
"density": 4.487311956289553,
"density_atomic": 0.06494812039239488,
"volume": 1354.927586330957,
"volume_molar": 9.272232550559176,
"formula_full": "Ba16 Zn8 B16 O48",
"formula_reduced": "Ba2Zn(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.1031180460606063,
"spacegroup": 29
},
{
"id": "jvasp-114527",
"created_at": "2022-09-04T14:38:42.026385Z",
"updated_at": "2022-09-04T14:38:42.026407Z",
"structure_string": "Ba1 Ag1\n1.0\n5.525252 -0.000000 0.000000\n-2.762626 4.785009 0.000000\n-0.000000 -0.000000 3.846963\nBa Ag\n1 1\ndirect\n0.333333 0.666666 0.000000 Ba\n0.666667 0.333333 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Ag"
],
"chemical_system": "Ag-Ba",
"density": 4.0032084325385515,
"density_atomic": 0.019664238680608178,
"volume": 101.70747174525974,
"volume_molar": 30.62483555968385,
"formula_full": "Ba1 Ag1",
"formula_reduced": "BaAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.349135,
"spacegroup": 187
},
{
"id": "jvasp-114627",
"created_at": "2022-09-04T14:38:40.951233Z",
"updated_at": "2022-09-04T14:38:40.951259Z",
"structure_string": "Ba1 Ag1 O1\n1.0\n4.348869 -0.000000 0.000000\n0.000000 4.348869 0.000000\n0.000000 -0.000000 7.329386\nBa Ag O\n1 1 1\ndirect\n0.000000 0.000000 0.406383 Ba\n0.000000 0.000000 -0.023593 Ag\n0.000000 0.000000 0.697611 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 3.128909816087888,
"density_atomic": 0.0216421802108527,
"volume": 138.6181970010405,
"volume_molar": 27.825943141255856,
"formula_full": "Ba1 Ag1 O1",
"formula_reduced": "BaAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5077122433333332,
"spacegroup": 99
},
{
"id": "jvasp-114625",
"created_at": "2022-09-04T14:38:41.497301Z",
"updated_at": "2022-09-04T14:38:41.497333Z",
"structure_string": "Ba1 Ag1 O1\n1.0\n5.803761 -2.032976 0.000000\n-4.291417 5.871730 0.000000\n0.000000 0.000000 3.866895\nBa Ag O\n1 1 1\ndirect\n0.088717 0.334258 0.000000 Ba\n0.137269 -0.157138 0.000000 Ag\n0.774013 0.822879 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 4.423931246628367,
"density_atomic": 0.03059964105953766,
"volume": 98.04036570765344,
"volume_molar": 19.680429415112197,
"formula_full": "Ba1 Ag1 O1",
"formula_reduced": "BaAgO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2899389099999998,
"spacegroup": 25
},
{
"id": "jvasp-36779",
"created_at": "2022-09-04T14:37:58.807742Z",
"updated_at": "2022-09-04T14:37:58.807759Z",
"structure_string": "Ba1 Ag1 O2\n1.0\n4.302306 0.000000 0.000000\n0.000000 4.302306 -0.000000\n0.000000 -0.000000 3.699257\nBa Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 6.722268055879947,
"density_atomic": 0.05841749023853395,
"volume": 68.47264378642338,
"volume_molar": 10.308797477279525,
"formula_full": "Ba1 Ag1 O2",
"formula_reduced": "BaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6670875575,
"spacegroup": 123
},
{
"id": "jvasp-114633",
"created_at": "2022-09-04T14:38:42.625588Z",
"updated_at": "2022-09-04T14:38:42.625618Z",
"structure_string": "Ba1 Ag1 S1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nBa Ag S\n1 1 1\ndirect\n0.050373 0.375770 0.000000 Ba\n0.334388 -0.014485 0.000000 Ag\n-0.059874 -0.047064 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"S"
],
"chemical_system": "Ag-Ba-S",
"density": 2.397331852624583,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Ba1 Ag1 S1",
"formula_reduced": "BaAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4282010766666666,
"spacegroup": 6
}
]
}