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=-elements&page=673",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=671",
"results": [
{
"id": "jvasp-122496",
"created_at": "2022-09-04T14:38:54.586923Z",
"updated_at": "2022-09-04T14:38:54.586958Z",
"structure_string": "Ba2 Y1 Co3 O8\n1.0\n3.862903 0.000000 0.000001\n-0.000002 3.862909 -0.000002\n-0.000000 0.000000 11.706010\nBa Y Co O\n2 1 3 8\ndirect\n0.499999 0.500000 0.172042 Ba\n0.499999 0.500000 0.828001 Ba\n0.500001 0.500000 0.499995 Y\n0.000000 0.000001 0.347532 Co\n0.000000 -0.000000 0.000045 Co\n0.000001 0.999999 0.652464 Co\n0.000000 0.500001 0.380068 O\n0.500000 0.000001 0.380067 O\n0.500001 -0.000000 0.000018 O\n0.999998 -0.000000 0.185990 O\n0.000000 0.500000 0.619887 O\n0.500001 0.999999 0.619887 O\n0.999998 -0.000000 0.813984 O\n0.000001 0.500000 0.000018 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.3535856757476274,
"density_atomic": 0.08014766321866286,
"volume": 174.67758182549252,
"volume_molar": 7.5138070383538125,
"formula_full": "Ba2 Y1 Co3 O8",
"formula_reduced": "Ba2YCo3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.633249149285714,
"spacegroup": 123
},
{
"id": "jvasp-111753",
"created_at": "2022-09-04T14:38:38.555422Z",
"updated_at": "2022-09-04T14:38:38.555448Z",
"structure_string": "Ba2 Y2 Co4 O11\n1.0\n3.779318 0.000000 0.000000\n-0.000000 7.485717 0.000000\n0.000000 0.000000 7.918754\nBa Y Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.254080 Ba\n0.500000 0.000000 0.745919 Ba\n0.500000 0.500000 0.228194 Y\n0.500000 0.500000 0.771805 Y\n0.000000 0.250172 0.000000 Co\n0.000000 0.749829 0.000000 Co\n0.000000 0.261115 0.500000 Co\n0.000000 0.738886 0.500000 Co\n0.000000 0.298586 0.736219 O\n0.000000 0.701414 0.263781 O\n0.000000 0.701414 0.736219 O\n0.000000 0.298586 0.263781 O\n0.500000 0.312779 0.500000 O\n0.500000 0.275121 0.000000 O\n0.500000 0.687222 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.724879 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Y",
"density": 6.405537629711865,
"density_atomic": 0.08481055572932646,
"volume": 224.02871714033625,
"volume_molar": 7.10069720474384,
"formula_full": "Ba2 Y2 Co4 O11",
"formula_reduced": "Ba2Y2Co4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.869099207368421,
"spacegroup": 47
},
{
"id": "jvasp-12498",
"created_at": "2022-09-04T14:38:16.596921Z",
"updated_at": "2022-09-04T14:38:16.596940Z",
"structure_string": "Ba2 Y1 Bi1 O6\n1.0\n5.321652 -0.000000 3.072457\n1.773884 5.017302 3.072457\n0.000000 0.000000 6.144915\nBa Y Bi O\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Bi\n0.754978 0.754979 0.245022 O\n0.245020 0.754979 0.245022 O\n0.754979 0.245021 0.754979 O\n0.245020 0.754979 0.754979 O\n0.245021 0.245021 0.754979 O\n0.754979 0.245021 0.245021 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Y",
"density": 6.766151603747812,
"density_atomic": 0.06094911531828549,
"volume": 164.07129041625114,
"volume_molar": 9.880604055615034,
"formula_full": "Ba2 Y1 Bi1 O6",
"formula_reduced": "Ba2YBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.865448269,
"spacegroup": 225
},
{
"id": "jvasp-9339",
"created_at": "2022-09-04T14:38:27.669104Z",
"updated_at": "2022-09-04T14:38:27.669124Z",
"structure_string": "Ba2 Y1 Bi3 O8\n1.0\n4.382865 -0.000000 -0.000000\n-0.000000 4.382865 -0.000000\n0.000000 0.000000 13.638099\nBa Y Bi O\n2 1 3 8\ndirect\n0.499999 0.499999 0.856083 Ba\n0.499999 0.499999 0.143917 Ba\n0.499999 0.499999 0.500000 Y\n0.000000 0.000000 0.654530 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.345470 Bi\n0.499999 0.000000 0.598173 O\n0.000000 0.499999 0.598173 O\n0.000000 0.499999 0.000000 O\n0.000000 0.000000 0.821725 O\n0.499999 0.000000 0.401827 O\n0.000000 0.499999 0.401827 O\n0.000000 0.000000 0.178275 O\n0.499999 0.000000 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Y",
"density": 7.0894672969880626,
"density_atomic": 0.053438961451042905,
"volume": 261.9811392260277,
"volume_molar": 11.269194977744975,
"formula_full": "Ba2 Y1 Bi3 O8",
"formula_reduced": "Ba2YBi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.007692735,
"spacegroup": 123
},
{
"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-10670",
"created_at": "2022-09-04T14:37:19.473648Z",
"updated_at": "2022-09-04T14:37:19.473683Z",
"structure_string": "Ba2 Y2 Ag2 Te6\n1.0\n4.517177 0.000000 0.000000\n-2.258588 7.521955 0.000000\n0.000000 0.000000 11.454225\nBa Y Ag Te\n2 2 2 6\ndirect\n0.243881 0.487762 0.250000 Ba\n0.756119 0.512237 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.532454 0.064908 0.250000 Ag\n0.467546 0.935091 0.750000 Ag\n0.360546 0.721092 0.950447 Te\n0.919799 0.839598 0.250000 Te\n0.639454 0.278907 0.450448 Te\n0.639454 0.278907 0.049552 Te\n0.360546 0.721092 0.549552 Te\n0.080201 0.160402 0.750000 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ag",
"Te"
],
"chemical_system": "Ag-Ba-Te-Y",
"density": 6.117511023350284,
"density_atomic": 0.03083313589472217,
"volume": 389.19168134481214,
"volume_molar": 19.531392397329377,
"formula_full": "Ba2 Y2 Ag2 Te6",
"formula_reduced": "BaYAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.7284536633333334,
"spacegroup": 63
},
{
"id": "jvasp-9993",
"created_at": "2022-09-04T14:37:08.823989Z",
"updated_at": "2022-09-04T14:37:08.824018Z",
"structure_string": "Ba2 Y2 Ag2 Se6\n1.0\n4.271190 -0.000000 -0.000000\n-2.135595 7.099444 0.000000\n0.000000 0.000000 10.725658\nBa Y Ag Se\n2 2 2 6\ndirect\n0.751107 0.502213 0.250000 Ba\n0.248893 0.497787 0.750000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.467940 0.935879 0.250000 Ag\n0.532061 0.064120 0.750000 Ag\n0.636992 0.273983 0.548484 Se\n0.363009 0.726017 0.451516 Se\n0.363009 0.726017 0.048484 Se\n0.920814 0.841625 0.750000 Se\n0.079187 0.158374 0.250000 Se\n0.636992 0.273983 0.951516 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ag",
"Se"
],
"chemical_system": "Ag-Ba-Se-Y",
"density": 5.830470660358734,
"density_atomic": 0.036896406659237865,
"volume": 325.23492357474663,
"volume_molar": 16.32175408195805,
"formula_full": "Ba2 Y2 Ag2 Se6",
"formula_reduced": "BaYAgSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.94173313,
"spacegroup": 63
},
{
"id": "jvasp-9329",
"created_at": "2022-09-04T14:38:03.835995Z",
"updated_at": "2022-09-04T14:38:03.836020Z",
"structure_string": "Ba2 Y1 Ag3 O8\n1.0\n4.103570 0.000000 0.000000\n0.000000 4.103570 -0.000000\n0.000000 -0.000000 12.159088\nBa Y Ag O\n2 1 3 8\ndirect\n0.500000 0.500000 0.163348 Ba\n0.500000 0.500000 0.836633 Ba\n0.500000 0.500000 0.500003 Y\n0.000000 0.000000 0.357123 Ag\n0.000000 0.000000 -0.000004 Ag\n0.000000 0.000000 0.642881 Ag\n0.000000 0.500000 0.388774 O\n0.500000 0.000000 0.388774 O\n0.500000 0.000000 0.999990 O\n0.000000 0.000000 0.170089 O\n0.000000 0.500000 0.611246 O\n0.500000 0.000000 0.611246 O\n0.000000 0.000000 0.829906 O\n0.000000 0.500000 0.999990 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O-Y",
"density": 6.610998790301521,
"density_atomic": 0.06837594501936069,
"volume": 204.7503693884727,
"volume_molar": 8.807396750852698,
"formula_full": "Ba2 Y1 Ag3 O8",
"formula_reduced": "Ba2YAg3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.729238369285714,
"spacegroup": 123
},
{
"id": "jvasp-56811",
"created_at": "2022-09-04T14:37:46.710354Z",
"updated_at": "2022-09-04T14:37:46.710374Z",
"structure_string": "Ba6 W2 Cl4 O10\n1.0\n5.839850 -0.000000 -0.000000\n-2.919924 6.913101 0.000000\n-0.000000 0.000000 11.603689\nBa W Cl O\n6 2 4 10\ndirect\n0.650352 0.300704 0.956755 Ba\n0.349649 0.699296 0.456755 Ba\n0.650352 0.300704 0.543245 Ba\n0.907661 0.815320 0.750000 Ba\n0.349649 0.699296 0.043245 Ba\n0.092340 0.184680 0.250000 Ba\n0.756888 0.513776 0.250000 W\n0.243113 0.486224 0.750000 W\n0.506256 0.012512 0.250000 Cl\n0.000000 0.000000 0.500000 Cl\n0.493745 0.987488 0.750000 Cl\n0.000000 0.000000 0.000000 Cl\n0.944968 0.441630 0.363387 O\n0.944968 0.441630 0.136613 O\n0.115110 0.230219 0.750000 O\n0.503338 0.558370 0.636613 O\n0.055032 0.558370 0.863387 O\n0.884891 0.769781 0.250000 O\n0.055032 0.558370 0.636613 O\n0.503338 0.558370 0.863387 O\n0.496663 0.441630 0.136613 O\n0.496663 0.441630 0.363387 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"W",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-W",
"density": 5.2938121768885855,
"density_atomic": 0.04696258631966613,
"volume": 468.4580157116953,
"volume_molar": 12.823273230755095,
"formula_full": "Ba6 W2 Cl4 O10",
"formula_reduced": "Ba3WCl2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 1.875507595,
"spacegroup": 63
},
{
"id": "jvasp-9362",
"created_at": "2022-09-04T14:37:20.000270Z",
"updated_at": "2022-09-04T14:37:20.000294Z",
"structure_string": "Ba1 V4 Zn1 O8\n1.0\n2.700417 -4.677259 -0.000000\n2.700417 4.677259 -0.000000\n0.000000 0.000000 7.212213\nBa V Zn O\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666668 0.742097 V\n0.666668 0.333334 0.742097 V\n0.333334 0.666668 0.257903 V\n0.666668 0.333334 0.257903 V\n0.000000 0.000000 0.500000 Zn\n0.318567 0.318567 0.677102 O\n0.681434 0.000000 0.677102 O\n0.000000 0.681434 0.677102 O\n0.681434 0.681434 0.322898 O\n0.000000 0.318567 0.322898 O\n0.318567 0.000000 0.322898 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"V",
"Zn",
"O"
],
"chemical_system": "Ba-O-V-Zn",
"density": 4.871623751808962,
"density_atomic": 0.07684351866129115,
"volume": 182.1884297322307,
"volume_molar": 7.836888347791874,
"formula_full": "Ba1 V4 Zn1 O8",
"formula_reduced": "BaV4ZnO8",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.9189057978571427,
"spacegroup": 162
},
{
"id": "jvasp-97728",
"created_at": "2022-09-04T14:36:19.829248Z",
"updated_at": "2022-09-04T14:36:19.829278Z",
"structure_string": "Ba4 V8 Te4 O32\n1.0\n5.658669 0.000000 0.000000\n0.000000 9.118135 -2.956439\n0.000000 -0.035629 13.936962\nBa V Te O\n4 8 4 32\ndirect\n0.686411 0.404501 0.157050 Ba\n0.313590 0.595500 0.842950 Ba\n0.813590 0.904501 0.657050 Ba\n0.186410 0.095499 0.342950 Ba\n0.162883 0.078212 0.087647 V\n0.852941 0.351002 0.864978 V\n0.662884 0.421788 0.412353 V\n0.837117 0.921788 0.912353 V\n0.337117 0.578212 0.587647 V\n0.147059 0.648998 0.135022 V\n0.647059 0.851002 0.364978 V\n0.352941 0.148998 0.635022 V\n0.663418 0.811242 0.096511 Te\n0.163418 0.688759 0.403489 Te\n0.836582 0.311242 0.596511 Te\n0.336582 0.188759 0.903489 Te\n0.396975 0.663479 0.059086 O\n0.383293 0.298771 0.736327 O\n0.531873 0.412114 0.543095 O\n0.968128 0.912114 0.043095 O\n0.468128 0.587886 0.456904 O\n0.869654 0.501476 0.356675 O\n0.490016 0.691397 0.682331 O\n0.031873 0.087886 0.956904 O\n0.874691 0.630187 0.063533 O\n0.883293 0.201229 0.763672 O\n0.009984 0.191397 0.182331 O\n0.896975 0.836522 0.440914 O\n0.675955 0.998090 0.325471 O\n0.175955 0.501910 0.174529 O\n0.324045 0.001910 0.674529 O\n0.625309 0.130187 0.563533 O\n0.606930 0.808994 0.958365 O\n0.603025 0.336521 0.940914 O\n0.374691 0.869813 0.436467 O\n0.509984 0.308603 0.317669 O\n0.616707 0.701229 0.263672 O\n0.824046 0.498090 0.825471 O\n0.393070 0.191006 0.041635 O\n0.630346 0.001476 0.856675 O\n0.116707 0.798772 0.236328 O\n0.125309 0.369813 0.936467 O\n0.990016 0.808603 0.817669 O\n0.103025 0.163479 0.559086 O\n0.369654 -0.001476 0.143325 O\n0.893071 0.308994 0.458365 O\n0.106930 0.691006 0.541635 O\n0.130346 0.498524 0.643325 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ba",
"V",
"Te",
"O"
],
"chemical_system": "Ba-O-Te-V",
"density": 4.574198972340758,
"density_atomic": 0.06680561178872704,
"volume": 718.5025137079824,
"volume_molar": 9.01442348742354,
"formula_full": "Ba4 V8 Te4 O32",
"formula_reduced": "BaV2TeO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.7160308447222223,
"spacegroup": 14
},
{
"id": "jvasp-97596",
"created_at": "2022-09-04T14:36:12.186275Z",
"updated_at": "2022-09-04T14:36:12.186301Z",
"structure_string": "Ba4 V2 Si4 O16\n1.0\n5.255267 0.000000 0.000000\n0.000000 8.548265 0.000000\n0.000000 0.000000 8.548265\nBa V Si O\n4 2 4 16\ndirect\n0.999321 0.328578 0.828577 Ba\n0.999321 0.828577 0.671422 Ba\n0.999321 0.671422 0.171422 Ba\n0.999321 0.171422 0.328578 Ba\n0.536558 0.000000 0.000000 V\n0.536558 0.500000 0.500000 V\n0.519855 0.129736 0.629736 Si\n0.519855 0.370264 0.129736 Si\n0.519855 0.629736 0.870263 Si\n0.519855 0.870263 0.370264 Si\n0.214255 0.871876 0.371876 O\n0.214255 0.628124 0.871876 O\n0.214255 0.371876 0.128124 O\n0.221836 0.500000 0.500000 O\n0.634390 0.000000 0.500000 O\n0.653265 0.295033 0.577597 O\n0.653265 0.422402 0.295033 O\n0.653265 0.577597 0.704967 O\n0.653265 0.704967 0.422402 O\n0.653265 0.204967 0.077598 O\n0.653265 0.795032 0.922402 O\n0.653265 0.922402 0.204967 O\n0.653265 0.077598 0.795032 O\n0.221836 0.000000 0.000000 O\n0.634390 0.500000 0.000000 O\n0.214255 0.128124 0.628124 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"V",
"Si",
"O"
],
"chemical_system": "Ba-O-Si-V",
"density": 4.408547817713638,
"density_atomic": 0.0677052908624328,
"volume": 384.0172557980466,
"volume_molar": 8.894638341095241,
"formula_full": "Ba4 V2 Si4 O16",
"formula_reduced": "Ba2V(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.545812410769231,
"spacegroup": 100
}
]
}