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_anonymous&page=4433",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4431",
"results": [
{
"id": "jvasp-22277",
"created_at": "2022-09-04T14:37:53.148802Z",
"updated_at": "2022-09-04T14:37:53.148820Z",
"structure_string": "Tb4 Si10 Ru6\n1.0\n5.316168 -0.000000 1.924769\n2.061620 7.568599 2.609804\n0.013346 -0.009530 8.267090\nTb Si Ru\n4 10 6\ndirect\n0.635486 0.096789 0.632240 Tb\n0.864515 0.367760 0.903211 Tb\n0.135486 0.632240 0.096788 Tb\n0.364515 0.903211 0.367760 Tb\n0.095461 0.236157 0.572923 Si\n0.904540 0.763843 0.427077 Si\n0.250000 0.000000 0.000000 Si\n0.458751 0.291249 0.291249 Si\n0.041249 0.708751 0.708751 Si\n0.541250 0.708751 0.708751 Si\n0.958752 0.291249 0.291249 Si\n0.750000 0.000000 0.000000 Si\n0.404540 0.427077 0.763843 Si\n0.595461 0.572923 0.236157 Si\n0.854277 0.052039 0.239408 Ru\n0.750001 0.500000 0.500000 Ru\n0.354276 0.239409 0.052039 Ru\n0.645725 0.760592 0.947960 Ru\n0.145725 0.947961 0.760591 Ru\n0.250000 0.500000 0.500000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Tb",
"density": 7.6051190573482526,
"density_atomic": 0.06014419852564607,
"volume": 332.5341510947528,
"volume_molar": 10.012837326998548,
"formula_full": "Tb4 Si10 Ru6",
"formula_reduced": "Tb2Si5Ru3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.75922113,
"spacegroup": 72
},
{
"id": "jvasp-23543",
"created_at": "2022-09-04T14:37:35.756138Z",
"updated_at": "2022-09-04T14:37:35.756157Z",
"structure_string": "U4 Co6 Si10\n1.0\n5.243029 0.000000 2.004544\n2.244769 7.212837 1.987676\n0.018307 -0.022911 7.811147\nU Co Si\n4 6 10\ndirect\n0.863506 0.869101 0.403887 U\n0.636494 0.596113 0.130899 U\n0.363506 0.403888 0.869101 U\n0.136494 0.130899 0.596113 U\n0.140275 0.473205 0.246246 Co\n0.250000 -0.000000 -0.000000 Co\n0.640275 0.246246 0.473205 Co\n0.359725 0.753754 0.526795 Co\n0.859726 0.526795 0.753754 Co\n0.750000 -0.000000 -0.000000 Co\n0.101818 0.743368 0.052997 Si\n0.750000 0.500000 0.500000 Si\n0.976830 0.773171 0.773170 Si\n0.476830 0.773171 0.773171 Si\n0.023171 0.226830 0.226830 Si\n0.601818 0.052997 0.743368 Si\n0.398183 0.947004 0.256632 Si\n0.898183 0.256632 0.947003 Si\n0.250000 0.500000 0.500000 Si\n0.523171 0.226830 0.226829 Si\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Co",
"Si"
],
"chemical_system": "Co-Si-U",
"density": 8.922669802686336,
"density_atomic": 0.06773553005568374,
"volume": 295.26601450610167,
"volume_molar": 8.890667504999731,
"formula_full": "U4 Co6 Si10",
"formula_reduced": "U2Co3Si5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 4.44008877,
"spacegroup": 72
},
{
"id": "jvasp-60632",
"created_at": "2022-09-04T14:36:10.157532Z",
"updated_at": "2022-09-04T14:36:10.157552Z",
"structure_string": "Mg6 Si4 H8 O18\n1.0\n2.677200 -4.637047 -0.000000\n2.677200 4.637047 -0.000000\n-0.000000 0.000000 14.560101\nMg Si H O\n6 4 8 18\ndirect\n0.331255 -0.000000 0.223115 Mg\n0.331255 0.331255 0.723115 Mg\n-0.000000 0.668745 0.723115 Mg\n-0.000000 0.331255 0.223115 Mg\n0.668745 -0.000000 0.723115 Mg\n0.668745 0.668745 0.223115 Mg\n0.333333 0.666667 0.030718 Si\n0.666667 0.333333 0.530718 Si\n0.333333 0.666667 0.530718 Si\n0.666667 0.333333 0.030718 Si\n0.651744 0.651744 0.856805 H\n-0.000000 0.348256 0.856805 H\n-0.000000 0.651744 0.356805 H\n0.651744 -0.000000 0.356805 H\n0.348256 -0.000000 0.856805 H\n0.000000 0.000000 0.078337 H\n0.000000 0.000000 0.578337 H\n0.348256 0.348256 0.356805 H\n-0.000000 0.665181 0.290055 O\n-0.000000 0.334819 0.790055 O\n0.665181 0.665181 0.790055 O\n0.665181 -0.000000 0.290055 O\n0.515912 -0.000000 0.488676 O\n0.515912 0.515912 0.988676 O\n-0.000000 0.484088 0.988676 O\n-0.000000 0.515912 0.488676 O\n0.484088 -0.000000 0.988676 O\n0.666667 0.333333 0.141254 O\n0.333333 0.666667 0.641254 O\n0.666667 0.333333 0.641254 O\n0.333333 0.666667 0.141254 O\n0.000000 0.000000 0.145061 O\n0.000000 0.000000 0.645061 O\n0.334819 0.334819 0.290055 O\n0.484088 0.484088 0.488676 O\n0.334819 -0.000000 0.790055 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.545764890604976,
"density_atomic": 0.09958313708236255,
"volume": 361.50698858005813,
"volume_molar": 6.047349919313396,
"formula_full": "Mg6 Si4 H8 O18",
"formula_reduced": "Mg3Si2H4O9",
"formula_anonymous": "A2B3C4D9",
"energy_above_hull": 2.360200325,
"spacegroup": 185
},
{
"id": "jvasp-12567",
"created_at": "2022-09-04T14:37:05.328431Z",
"updated_at": "2022-09-04T14:37:05.328458Z",
"structure_string": "Mg3 Si2 H4 O9\n1.0\n2.677391 -4.637377 -0.000000\n2.677391 4.637377 0.000000\n0.000000 0.000000 7.278535\nMg Si H O\n3 2 4 9\ndirect\n0.331259 -0.000000 0.459972 Mg\n-0.000000 0.331259 0.459972 Mg\n0.668741 0.668741 0.459972 Mg\n0.333333 0.666667 0.074971 Si\n0.666667 0.333333 0.074971 Si\n-0.000000 0.651566 0.727323 H\n0.651566 -0.000000 0.727323 H\n0.000000 0.000000 0.170309 H\n0.348434 0.348434 0.727323 H\n-0.000000 0.665179 0.593808 O\n0.000000 0.000000 0.303783 O\n0.333333 0.666667 0.296104 O\n0.666667 0.333333 0.296104 O\n0.513314 -0.000000 0.990782 O\n-0.000000 0.513314 0.990782 O\n0.486686 0.486686 0.990782 O\n0.665179 -0.000000 0.593808 O\n0.334821 0.334821 0.593808 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.5459321253692457,
"density_atomic": 0.09958967883431954,
"volume": 180.74162112667673,
"volume_molar": 6.0469526867524275,
"formula_full": "Mg3 Si2 H4 O9",
"formula_reduced": "Mg3Si2H4O9",
"formula_anonymous": "A2B3C4D9",
"energy_above_hull": 2.3602086583333333,
"spacegroup": 157
},
{
"id": "jvasp-52435",
"created_at": "2022-09-04T14:38:12.932054Z",
"updated_at": "2022-09-04T14:38:12.932082Z",
"structure_string": "Fe3 H4 O2 F8\n1.0\n3.324183 3.701791 -1.752609\n-3.324183 3.701791 1.752609\n0.091611 0.000000 7.415260\nFe H O F\n3 4 2 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.611837 0.171093 0.115038 H\n0.828907 0.388163 0.115038 H\n0.388163 0.828907 0.884962 H\n0.171093 0.611837 0.884962 H\n0.237489 0.762511 0.933843 O\n0.762510 0.237489 0.066157 O\n0.816912 0.816912 0.500000 F\n0.063306 0.336661 0.801605 F\n0.663338 0.936693 0.801605 F\n0.936693 0.663339 0.198395 F\n0.336661 0.063306 0.198395 F\n0.656883 0.343117 0.430241 F\n0.343117 0.656883 0.569759 F\n0.183088 0.183088 0.500000 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Fe",
"H",
"O",
"F"
],
"chemical_system": "F-Fe-H-O",
"density": 3.2142550544459674,
"density_atomic": 0.09254992559191295,
"volume": 183.68464254589813,
"volume_molar": 6.506910428598137,
"formula_full": "Fe3 H4 O2 F8",
"formula_reduced": "Fe3H4(OF4)2",
"formula_anonymous": "A2B3C4D8",
"energy_above_hull": 1.679232103529412,
"spacegroup": 12
},
{
"id": "jvasp-42275",
"created_at": "2022-09-04T14:38:05.598126Z",
"updated_at": "2022-09-04T14:38:05.598147Z",
"structure_string": "Li2 Co4 O3 F8\n1.0\n4.889875 0.020535 -0.108311\n-0.715687 6.162617 -0.058410\n-1.759312 -2.369838 6.169885\nLi Co O F\n2 4 3 8\ndirect\n0.677061 0.198544 0.412367 Li\n0.322938 0.801457 0.587634 Li\n0.898491 0.249134 0.970822 Co\n0.339208 0.372155 0.778797 Co\n0.660792 0.627847 0.221204 Co\n0.101508 0.750866 0.029179 Co\n0.728834 0.526374 0.951564 O\n0.271166 0.473627 0.048437 O\n-0.000000 0.000001 0.000000 O\n0.051519 0.802264 0.333622 F\n0.468057 0.106149 0.815369 F\n0.948480 0.197737 0.666379 F\n0.379354 0.282892 0.506242 F\n0.797340 0.366048 0.254369 F\n0.202659 0.633953 0.745632 F\n0.620646 0.717110 0.493759 F\n0.531942 0.893852 0.184632 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.057848891602645,
"density_atomic": 0.0923994089650972,
"volume": 183.98386083207038,
"volume_molar": 6.5175100441116385,
"formula_full": "Li2 Co4 O3 F8",
"formula_reduced": "Li2Co4O3F8",
"formula_anonymous": "A2B3C4D8",
"energy_above_hull": 1.403632138823529,
"spacegroup": 2
},
{
"id": "jvasp-42258",
"created_at": "2022-09-04T14:37:55.980945Z",
"updated_at": "2022-09-04T14:37:55.980975Z",
"structure_string": "Li2 Fe4 O3 F8\n1.0\n4.977268 -0.003372 -0.013007\n-0.764735 6.390240 -0.104134\n-1.835603 -2.433246 6.001510\nLi Fe O F\n2 4 3 8\ndirect\n0.669928 0.195521 0.400586 Li\n0.330072 0.804478 0.599414 Li\n0.908267 0.248514 0.969670 Fe\n0.345489 0.374857 0.780071 Fe\n0.654511 0.625143 0.219929 Fe\n0.091734 0.751485 0.030330 Fe\n0.728997 0.530327 0.943602 O\n0.271003 0.469673 0.056398 O\n0.000000 0.000000 0.000000 O\n0.050459 0.796701 0.344116 F\n0.473961 0.113800 0.809014 F\n0.949541 0.203299 0.655884 F\n0.379277 0.285961 0.500509 F\n0.789833 0.368382 0.250616 F\n0.210167 0.631617 0.749384 F\n0.620723 0.714038 0.499492 F\n0.526039 0.886200 0.190986 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.8329091539382976,
"density_atomic": 0.08974310441448527,
"volume": 189.4295958548996,
"volume_molar": 6.710421707930106,
"formula_full": "Li2 Fe4 O3 F8",
"formula_reduced": "Li2Fe4O3F8",
"formula_anonymous": "A2B3C4D8",
"energy_above_hull": 1.4372091035294114,
"spacegroup": 2
},
{
"id": "jvasp-97974",
"created_at": "2022-09-04T14:36:07.189061Z",
"updated_at": "2022-09-04T14:36:07.189081Z",
"structure_string": "Y16 Si8 S12 O28\n1.0\n-5.852067 -5.852067 -6.822206\n-5.852067 5.852067 6.822206\n-5.852067 5.852067 -6.822206\nY Si S O\n16 8 12 28\ndirect\n0.985560 0.644318 0.841242 Y\n0.594166 0.297083 0.452918 Y\n0.094166 0.047083 0.202917 Y\n0.750000 0.047083 0.547083 Y\n0.250000 0.952918 0.452917 Y\n0.905835 0.952918 0.797083 Y\n0.750000 0.702918 0.202917 Y\n0.405835 0.702918 0.547083 Y\n0.250000 0.297083 0.797083 Y\n0.985560 0.341242 0.673199 Y\n0.514441 0.341242 0.144318 Y\n0.014441 0.355683 0.158758 Y\n0.514441 0.173199 0.841242 Y\n0.014441 0.658759 0.326801 Y\n0.485559 0.658758 0.855683 Y\n0.485559 0.826801 0.158758 Y\n0.374991 0.470898 0.404093 Si\n0.874991 0.095907 0.029102 Si\n0.625010 0.095907 0.279084 Si\n0.125009 0.220917 0.404093 Si\n0.125009 0.904093 0.970899 Si\n0.374991 0.904093 0.720917 Si\n0.874991 0.779084 0.595908 Si\n0.625010 0.529102 0.595908 Si\n0.750000 0.375000 0.875001 S\n0.750000 0.875000 0.375000 S\n0.250000 0.125000 0.625000 S\n0.250000 0.625000 0.125000 S\n0.853823 0.353823 0.500000 S\n0.353823 0.353823 -0.000000 S\n0.146177 0.500000 0.853823 S\n0.853823 0.500000 0.146177 S\n0.646177 0.646177 -0.000000 S\n0.146177 0.646177 0.500000 S\n0.353823 -0.000000 0.146177 S\n0.646177 -0.000000 0.853823 S\n0.767660 0.917884 0.067580 O\n0.982907 0.809008 0.673900 O\n0.482907 0.826101 0.690993 O\n0.017093 0.826101 0.156806 O\n0.517093 0.343194 0.673900 O\n0.517093 0.173899 0.309007 O\n0.485464 0.917884 0.349777 O\n0.982907 0.173899 0.843194 O\n0.482907 0.656806 0.326101 O\n0.750000 0.600204 0.649797 O\n0.250000 0.850204 0.899797 O\n0.017093 0.190993 0.326101 O\n0.267660 0.432420 0.582117 O\n0.732340 0.164760 0.349777 O\n0.014536 0.164760 0.067580 O\n0.985464 0.150224 0.582117 O\n0.232340 0.150224 0.335240 O\n0.232340 0.082116 0.932420 O\n0.514537 0.082116 0.650224 O\n0.732340 0.567580 0.417884 O\n0.485464 0.567580 0.664760 O\n0.985464 0.835240 0.932420 O\n0.267660 0.835240 0.650224 O\n0.014536 0.849777 0.417884 O\n0.767660 0.849777 0.664760 O\n0.250000 0.399797 0.350204 O\n0.514537 0.432420 0.335240 O\n0.750000 0.149797 0.100203 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Y",
"Si",
"S",
"O"
],
"chemical_system": "O-S-Si-Y",
"density": 4.406431380285309,
"density_atomic": 0.06848202190769598,
"volume": 934.551846121934,
"volume_molar": 8.793754320100229,
"formula_full": "Y16 Si8 S12 O28",
"formula_reduced": "Y4Si2S3O7",
"formula_anonymous": "A2B3C4D7",
"energy_above_hull": 2.96179959375,
"spacegroup": 141
},
{
"id": "jvasp-98457",
"created_at": "2022-09-04T14:36:04.817514Z",
"updated_at": "2022-09-04T14:36:04.817541Z",
"structure_string": "Sm16 Si8 Se12 O28\n1.0\n10.126763 -0.011855 -4.582749\n-5.909419 9.210297 -1.949936\n-0.007606 0.011855 11.115433\nSm Si Se O\n16 8 12 28\ndirect\n0.010750 0.344063 0.333313 Sm\n0.989249 0.333313 0.822562 Sm\n0.095135 0.047568 0.297568 Sm\n0.250000 0.297568 0.702432 Sm\n0.250000 0.952433 0.047567 Sm\n0.904864 0.952433 0.702431 Sm\n0.750000 0.702432 0.297567 Sm\n0.749999 0.047568 0.952432 Sm\n0.404864 0.702433 0.952432 Sm\n0.010750 0.666688 0.177437 Sm\n0.489249 0.666688 0.655936 Sm\n0.489249 0.822563 0.333312 Sm\n0.989249 0.655937 0.666687 Sm\n0.510750 0.177438 0.666687 Sm\n0.510750 0.333313 0.344063 Sm\n0.595135 0.297567 0.047567 Sm\n0.125635 0.906887 0.532520 Si\n0.374365 0.467479 0.093114 Si\n0.625634 0.093114 0.218748 Si\n0.874365 0.093114 0.467479 Si\n0.874365 0.781252 0.906885 Si\n0.125635 0.218749 0.093114 Si\n0.374365 0.906887 0.781251 Si\n0.625634 0.532521 0.906885 Si\n0.645357 0.000000 0.645357 Se\n0.354642 0.354642 0.500000 Se\n0.145358 0.645358 -0.000000 Se\n0.145358 0.500000 0.645357 Se\n0.645357 0.645358 0.499999 Se\n0.854642 0.354642 -0.000000 Se\n0.854642 0.500000 0.354642 Se\n0.250000 0.625000 0.375000 Se\n0.750000 0.375000 0.624999 Se\n0.750000 0.875000 0.124999 Se\n0.354642 0.000000 0.354642 Se\n0.250000 0.125000 0.875000 Se\n0.978792 0.169095 0.647888 O\n0.521207 0.169095 0.190302 O\n0.521207 0.352112 0.830904 O\n0.978792 0.809697 0.830904 O\n0.478793 0.647888 0.169095 O\n0.478793 0.830905 0.809697 O\n0.021207 0.830905 0.352111 O\n0.770766 0.920230 0.431040 O\n0.250000 0.858063 0.608062 O\n0.750000 0.608063 0.858062 O\n0.750000 0.141937 0.391937 O\n0.021207 0.190303 0.169095 O\n0.729233 0.160274 0.149463 O\n0.489188 0.568959 0.839725 O\n0.010811 0.850537 0.079770 O\n0.989188 0.149463 0.920229 O\n0.510811 0.431041 0.160274 O\n0.510811 0.079770 0.850536 O\n0.989188 0.839726 0.568958 O\n0.770766 0.850537 0.839725 O\n0.229233 0.079770 0.568959 O\n0.270767 0.839726 0.850536 O\n0.270767 0.431042 0.920229 O\n0.229233 0.149463 0.160274 O\n0.010811 0.160275 0.431041 O\n0.489188 0.920230 0.149463 O\n0.729233 0.568959 0.079770 O\n0.250000 0.391938 0.141937 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Sm",
"Si",
"Se",
"O"
],
"chemical_system": "O-Se-Si-Sm",
"density": 6.451709037865443,
"density_atomic": 0.06176430726287385,
"volume": 1036.1971636403346,
"volume_molar": 9.750195585241952,
"formula_full": "Sm16 Si8 Se12 O28",
"formula_reduced": "Sm4Si2Se3O7",
"formula_anonymous": "A2B3C4D7",
"energy_above_hull": 2.42034045625,
"spacegroup": 141
},
{
"id": "jvasp-48686",
"created_at": "2022-09-04T14:36:02.558638Z",
"updated_at": "2022-09-04T14:36:02.558664Z",
"structure_string": "Li4 Fe3 O2 F6\n1.0\n-5.034655 0.007208 0.012705\n0.949704 5.237709 -0.027736\n-0.111745 -1.747446 -5.551726\nLi Fe O F\n4 3 2 6\ndirect\n0.262627 0.972841 0.864224 Li\n0.758991 -0.002350 0.633848 Li\n0.241011 0.002350 0.366152 Li\n0.737375 0.027159 0.135777 Li\n0.499172 0.496436 0.784706 Fe\n0.500831 0.503564 0.215295 Fe\n0.000000 0.500000 0.000000 Fe\n0.641477 0.243626 0.933519 O\n0.358526 0.756375 0.066482 O\n0.132996 0.206678 0.684990 F\n0.875599 0.766002 0.820690 F\n0.597508 0.253251 0.435430 F\n0.402494 0.746749 0.564570 F\n0.124404 0.233998 0.179310 F\n0.867006 0.793322 0.315010 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 3.863988521783294,
"density_atomic": 0.10227198657394249,
"volume": 146.66772889128367,
"volume_molar": 5.888358055552193,
"formula_full": "Li4 Fe3 O2 F6",
"formula_reduced": "Li4Fe3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.2570756796666664,
"spacegroup": 2
},
{
"id": "jvasp-46959",
"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.0510489494071455,
"density_atomic": 0.10438935325200867,
"volume": 143.692814762327,
"volume_molar": 5.768922377995594,
"formula_full": "Li4 Co3 O2 F6",
"formula_reduced": "Li4Co3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.2278074263333336,
"spacegroup": 2
},
{
"id": "jvasp-33862",
"created_at": "2022-09-04T14:37:07.115540Z",
"updated_at": "2022-09-04T14:37:07.115560Z",
"structure_string": "Pb6 I4 Cl8 O12\n1.0\n7.695913 3.715018 -0.044238\n-7.695913 3.715018 0.044238\n-5.541388 0.000000 10.586575\nPb I Cl O\n6 4 8 12\ndirect\n0.822440 0.822439 0.750001 Pb\n0.177564 0.177563 0.250000 Pb\n0.947550 0.341441 0.827865 Pb\n0.341441 0.947551 0.672134 Pb\n0.052449 0.658559 0.172136 Pb\n0.658558 0.052450 0.327865 Pb\n0.341930 0.234414 0.971278 I\n0.234414 0.341930 0.528723 I\n0.658071 0.765585 0.028722 I\n0.765586 0.658071 0.471277 I\n0.840153 0.254007 0.102058 Cl\n0.254006 0.840154 0.397942 Cl\n0.159847 0.745994 0.897942 Cl\n0.745994 0.159847 0.602056 Cl\n0.670247 0.426556 0.271265 Cl\n0.573445 0.329752 0.771265 Cl\n0.329752 0.573445 0.728736 Cl\n0.426556 0.670248 0.228735 Cl\n0.282226 0.365175 0.022580 O\n0.080184 0.090600 0.879092 O\n0.090600 0.080184 0.620907 O\n0.919816 0.909400 0.120907 O\n0.909399 0.919817 0.379093 O\n0.661173 0.961407 0.881525 O\n0.961405 0.661175 0.618474 O\n0.338825 0.038595 0.118474 O\n0.038594 0.338826 0.381525 O\n0.717774 0.634827 0.977420 O\n0.634827 0.717776 0.522580 O\n0.365174 0.282227 0.477420 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Pb",
"I",
"Cl",
"O"
],
"chemical_system": "Cl-I-O-Pb",
"density": 6.125777239797166,
"density_atomic": 0.049707669144658635,
"volume": 603.528600640967,
"volume_molar": 12.115113952485764,
"formula_full": "Pb6 I4 Cl8 O12",
"formula_reduced": "Pb3I2(Cl2O3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.1793134853333334,
"spacegroup": 15
}
]
}