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_reduced&page=306",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=304",
"results": [
{
"id": "jvasp-34927",
"created_at": "2022-09-04T14:37:28.457669Z",
"updated_at": "2022-09-04T14:37:28.457691Z",
"structure_string": "Ba10 Bi6\n1.0\n5.130184 -8.885740 -0.000000\n5.130184 8.885740 0.000000\n0.000000 -0.000000 7.850397\nBa Bi\n10 6\ndirect\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Ba\n-0.000000 0.254870 0.750000 Ba\n0.254870 0.254870 0.250000 Ba\n0.745130 -0.000000 0.250000 Ba\n0.254870 -0.000000 0.750000 Ba\n0.745129 0.745129 0.750000 Ba\n-0.000000 0.745130 0.250000 Ba\n-0.000000 0.609658 0.750000 Bi\n0.609657 0.609657 0.250000 Bi\n0.390342 -0.000000 0.250000 Bi\n0.609658 -0.000000 0.750000 Bi\n0.390342 0.390342 0.750000 Bi\n-0.000000 0.390342 0.250000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 6.095175365997336,
"density_atomic": 0.022354853276790664,
"volume": 715.7282493377659,
"volume_molar": 26.93885164637752,
"formula_full": "Ba10 Bi6",
"formula_reduced": "Ba5Bi3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.24585589375,
"spacegroup": 193
},
{
"id": "jvasp-52239",
"created_at": "2022-09-04T14:36:59.112855Z",
"updated_at": "2022-09-04T14:36:59.112866Z",
"structure_string": "Ba5 Bi3 O11\n1.0\n-3.141686 3.141686 4.406963\n3.141686 -3.141686 4.406963\n6.538339 6.538339 0.000000\nBa Bi O\n5 3 11\ndirect\n0.525334 0.977534 0.223425 Ba\n0.525334 0.977534 0.776575 Ba\n0.007978 0.992021 0.500000 Ba\n0.022465 0.474666 0.223425 Ba\n0.022465 0.474666 0.776575 Ba\n0.024349 0.975651 0.000000 Bi\n0.517981 0.482019 0.000000 Bi\n0.493926 0.506074 0.500000 Bi\n0.153058 0.428198 0.500000 O\n0.571801 0.846941 0.500000 O\n0.267584 0.732415 0.000000 O\n0.496153 0.503846 0.250676 O\n0.259927 0.230874 0.000000 O\n0.039453 0.960547 0.234264 O\n0.769125 0.740072 0.000000 O\n0.496153 0.503846 0.749324 O\n0.777283 0.222717 0.000000 O\n0.731868 0.268132 0.500000 O\n0.039453 0.960547 0.765736 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O",
"density": 6.830937179606067,
"density_atomic": 0.05247156221622017,
"volume": 362.1009018505392,
"volume_molar": 11.47696105403627,
"formula_full": "Ba5 Bi3 O11",
"formula_reduced": "Ba5Bi3O11",
"formula_anonymous": "A3B5C11",
"energy_above_hull": 1.7466742763157896,
"spacegroup": 38
},
{
"id": "jvasp-87948",
"created_at": "2022-09-04T14:35:42.708499Z",
"updated_at": "2022-09-04T14:35:42.708523Z",
"structure_string": "Ba5 Co5 O14\n1.0\n5.682136 0.000000 -0.000000\n-2.841068 4.920874 -0.000000\n-0.000000 0.000000 11.959823\nBa Co O\n5 5 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.226604 Ba\n0.333333 0.666666 0.417672 Ba\n0.666667 0.333333 0.582327 Ba\n0.333333 0.666666 0.773396 Ba\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.291937 Co\n0.000000 0.000000 0.708063 Co\n0.333333 0.666666 0.139643 Co\n0.666667 0.333333 0.860357 Co\n0.160361 0.320722 0.199029 O\n0.160361 0.839638 0.199029 O\n0.852640 0.147360 0.397809 O\n0.679277 0.839638 0.199029 O\n0.320723 0.160361 0.800971 O\n0.839639 0.679277 0.800971 O\n0.839639 0.160361 0.800971 O\n0.147360 0.852639 0.602190 O\n0.147360 0.294721 0.602190 O\n0.705279 0.852639 0.602190 O\n0.294721 0.147360 0.397809 O\n0.852640 0.705278 0.397809 O\n0.333333 0.666666 0.993317 O\n0.666667 0.333333 0.006682 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Co",
"O"
],
"chemical_system": "Ba-Co-O",
"density": 5.984983495640562,
"density_atomic": 0.07176829357531844,
"volume": 334.40951155976416,
"volume_molar": 8.391088125398946,
"formula_full": "Ba5 Co5 O14",
"formula_reduced": "Ba5Co5O14",
"formula_anonymous": "A5B5C14",
"energy_above_hull": 2.5181118062500003,
"spacegroup": 164
},
{
"id": "jvasp-95696",
"created_at": "2022-09-04T14:35:55.662490Z",
"updated_at": "2022-09-04T14:35:55.662527Z",
"structure_string": "Ba10 Er4 Zr2 Al4 O26\n1.0\n5.987120 -0.000000 0.000000\n-2.993560 5.184998 -0.000000\n0.000000 -0.000000 25.064879\nBa Er Zr Al O\n10 4 2 4 26\ndirect\n0.000000 0.000000 0.362146 Ba\n0.666667 0.333333 0.958099 Ba\n0.000000 0.000000 0.637855 Ba\n0.000000 0.000000 0.862146 Ba\n0.666667 0.333333 0.541901 Ba\n0.333333 0.666667 0.458099 Ba\n0.000000 0.000000 0.137855 Ba\n0.333333 0.666667 0.041901 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.103444 Er\n0.333333 0.666667 0.896556 Er\n0.333333 0.666667 0.603444 Er\n0.666667 0.333333 0.396556 Er\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.666667 0.333333 0.819330 Al\n0.333333 0.666667 0.180670 Al\n0.666667 0.333333 0.680670 Al\n0.333333 0.666667 0.319330 Al\n0.674373 0.837187 0.550230 O\n0.666667 0.333333 0.750000 O\n0.495247 0.504753 0.342195 O\n0.674373 0.837187 0.949770 O\n0.504753 0.009507 0.842195 O\n0.162813 0.837187 0.550230 O\n0.504753 0.495247 0.657805 O\n0.162813 0.325627 0.949770 O\n0.495247 0.504753 0.157805 O\n0.325627 0.162813 0.449770 O\n0.990493 0.495247 0.842195 O\n0.009507 0.504753 0.342195 O\n0.162813 0.837187 0.949770 O\n0.990493 0.495247 0.657805 O\n0.325627 0.162813 0.050230 O\n0.837187 0.162813 0.449770 O\n0.009507 0.504753 0.157805 O\n0.495247 0.990493 0.157805 O\n0.837187 0.162813 0.050230 O\n0.504753 0.495247 0.842195 O\n0.162813 0.325627 0.550230 O\n0.333333 0.666667 0.250000 O\n0.837187 0.674373 0.449770 O\n0.837187 0.674373 0.050230 O\n0.504753 0.009507 0.657805 O\n0.495247 0.990493 0.342195 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Ba",
"Er",
"Zr",
"Al",
"O"
],
"chemical_system": "Al-Ba-Er-O-Zr",
"density": 5.8659542439891235,
"density_atomic": 0.05911880723369233,
"volume": 778.0941827558421,
"volume_molar": 10.186505854549665,
"formula_full": "Ba10 Er4 Zr2 Al4 O26",
"formula_reduced": "Ba5Er2ZrAl2O13",
"formula_anonymous": "AB2C2D5E13",
"energy_above_hull": 2.0965054543478256,
"spacegroup": 194
},
{
"id": "jvasp-98575",
"created_at": "2022-09-04T14:36:08.959368Z",
"updated_at": "2022-09-04T14:36:08.959405Z",
"structure_string": "Ba5 Ga5 Pb1\n1.0\n6.076206 0.000020 -0.000000\n-3.038085 5.263816 -0.000001\n-0.000001 -0.000001 10.905934\nBa Ga Pb\n5 5 1\ndirect\n0.999958 0.999908 0.331723 Ba\n0.666615 0.333244 0.203992 Ba\n0.666615 0.333243 0.796008 Ba\n0.999959 -0.000093 0.668277 Ba\n0.333374 0.666729 0.000000 Ba\n0.333373 0.666769 0.674873 Ga\n0.515736 0.484089 0.500000 Ga\n0.515919 0.031786 0.500000 Ga\n0.333373 0.666770 0.325126 Ga\n0.968343 0.484088 0.500000 Ga\n0.000071 0.000139 0.999999 Pb\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Pb"
],
"chemical_system": "Ba-Ga-Pb",
"density": 5.9146784414329865,
"density_atomic": 0.03153521570319259,
"volume": 348.8163868460989,
"volume_molar": 19.096558008925637,
"formula_full": "Ba5 Ga5 Pb1",
"formula_reduced": "Ba5Ga5Pb",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-86788",
"created_at": "2022-09-04T14:36:16.433991Z",
"updated_at": "2022-09-04T14:36:16.434016Z",
"structure_string": "Ba5 Ga5 Sn1\n1.0\n6.053782 0.000000 -0.000000\n-3.026891 5.242729 0.000000\n0.000000 0.000000 10.864982\nBa Ga Sn\n5 5 1\ndirect\n0.000000 0.000000 0.669366 Ba\n0.666667 0.333333 0.796946 Ba\n0.666667 0.333333 0.203054 Ba\n0.333333 0.666667 0.000000 Ba\n0.000000 0.000000 0.330633 Ba\n0.515881 0.484119 0.500000 Ga\n0.968237 0.484119 0.500000 Ga\n0.515881 0.031763 0.500000 Ga\n0.333333 0.666667 0.674905 Ga\n0.333333 0.666667 0.325095 Ga\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Sn"
],
"chemical_system": "Ba-Ga-Sn",
"density": 5.556824160910508,
"density_atomic": 0.03189917762821071,
"volume": 344.8364759808703,
"volume_molar": 18.87867088671964,
"formula_full": "Ba5 Ga5 Sn1",
"formula_reduced": "Ba5Ga5Sn",
"formula_anonymous": "AB5C5",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-86186",
"created_at": "2022-09-04T14:36:10.014172Z",
"updated_at": "2022-09-04T14:36:10.014201Z",
"structure_string": "Ba5 Ga5 Sn1\n1.0\n6.053784 0.000000 -0.000000\n-3.026893 5.242731 0.000000\n0.000000 -0.000000 10.865561\nBa Ga Sn\n5 5 1\ndirect\n0.000000 0.000000 0.669370 Ba\n0.666667 0.333333 0.796949 Ba\n0.666667 0.333333 0.203051 Ba\n0.333333 0.666667 0.000000 Ba\n0.000000 0.000000 0.330630 Ba\n0.515876 0.484124 0.500000 Ga\n0.968248 0.484124 0.500000 Ga\n0.515875 0.031752 0.500000 Ga\n0.333333 0.666667 0.674916 Ga\n0.333333 0.666667 0.325084 Ga\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Sn"
],
"chemical_system": "Ba-Ga-Sn",
"density": 5.556524095490341,
"density_atomic": 0.03189745509032562,
"volume": 344.8550979647357,
"volume_molar": 18.879690379520255,
"formula_full": "Ba5 Ga5 Sn1",
"formula_reduced": "Ba5Ga5Sn",
"formula_anonymous": "AB5C5",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-34667",
"created_at": "2022-09-04T14:38:31.899788Z",
"updated_at": "2022-09-04T14:38:31.899814Z",
"structure_string": "Ba5 Hf4 S13\n1.0\n4.950425 0.010255 -0.573759\n-0.076774 4.949841 -0.573759\n0.165430 0.168366 23.074064\nBa Hf S\n5 4 13\ndirect\n0.710948 0.710947 0.421882 Ba\n0.607128 0.607127 0.214292 Ba\n0.289052 0.289052 0.578118 Ba\n0.500000 0.499999 -0.000000 Ba\n0.392872 0.392872 0.785707 Ba\n0.833918 0.833918 0.667855 Hf\n0.055090 0.055090 0.110235 Hf\n0.166081 0.166082 0.332145 Hf\n0.944910 0.944910 0.889765 Hf\n0.163081 0.663077 0.326139 S\n0.445505 0.945518 0.890966 S\n0.663077 0.163080 0.326139 S\n0.336923 0.836920 0.673861 S\n0.220673 0.220673 0.441325 S\n0.836919 0.336922 0.673861 S\n0.109677 0.109677 0.219348 S\n0.554495 0.054481 0.109034 S\n0.945518 0.445504 0.890966 S\n0.000000 0.000000 0.000000 S\n0.890323 0.890323 0.780651 S\n0.779327 0.779326 0.558674 S\n0.054482 0.554496 0.109034 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.328498964623501,
"density_atomic": 0.038843502835992236,
"volume": 566.375285279753,
"volume_molar": 15.50359859518104,
"formula_full": "Ba5 Hf4 S13",
"formula_reduced": "Ba5Hf4S13",
"formula_anonymous": "A4B5C13",
"energy_above_hull": 2.525546447727273,
"spacegroup": 139
},
{
"id": "jvasp-21541",
"created_at": "2022-09-04T14:38:36.080647Z",
"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Si"
],
"chemical_system": "Ba-Mg-Si",
"density": 2.9865939954286413,
"density_atomic": 0.04347763567624562,
"volume": 828.0119063527851,
"volume_molar": 13.851122919478916,
"formula_full": "Ba5 Mg18 Si13",
"formula_reduced": "Ba5Mg18Si13",
"formula_anonymous": "A5B13C18",
"energy_above_hull": 0.8596679041666665,
"spacegroup": 189
},
{
"id": "jvasp-19055",
"created_at": "2022-09-04T14:37:06.390326Z",
"updated_at": "2022-09-04T14:37:06.390362Z",
"structure_string": "Ba5 Nb4 O15\n1.0\n2.936379 -5.085957 0.000000\n2.936379 5.085957 -0.000000\n-0.000000 0.000000 11.923318\nBa Nb O\n5 4 15\ndirect\n0.666667 0.333333 0.428250 Ba\n0.333333 0.666667 0.571750 Ba\n0.666667 0.333333 0.790821 Ba\n0.333333 0.666667 0.209179 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.105286 Nb\n0.333333 0.666667 0.894714 Nb\n0.000000 0.000000 0.682195 Nb\n0.000000 0.000000 0.317805 Nb\n0.168669 0.337337 0.807199 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.337337 0.168669 0.192801 O\n0.831332 0.168669 0.192801 O\n0.329529 0.164765 0.611288 O\n0.164765 0.329529 0.388712 O\n0.164765 0.835236 0.388712 O\n0.670471 0.835236 0.388712 O\n0.168669 0.831332 0.807199 O\n0.835236 0.164765 0.611288 O\n0.835236 0.670471 0.611288 O\n0.831332 0.662663 0.192801 O\n0.662663 0.831332 0.807199 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.053353287741544,
"density_atomic": 0.06739060039407982,
"volume": 356.1327523371994,
"volume_molar": 8.936173182586808,
"formula_full": "Ba5 Nb4 O15",
"formula_reduced": "Ba5Nb4O15",
"formula_anonymous": "A4B5C15",
"energy_above_hull": 2.8956833312499994,
"spacegroup": 164
},
{
"id": "jvasp-23235",
"created_at": "2022-09-04T14:37:50.087905Z",
"updated_at": "2022-09-04T14:37:50.087937Z",
"structure_string": "Ba5 Nd8 Mn4 O21\n1.0\n5.572026 0.000000 1.624234\n2.786012 9.945663 0.812117\n0.002711 0.000000 10.360387\nBa Nd Mn O\n5 8 4 21\ndirect\n0.863484 0.674298 0.598733 Ba\n0.462218 0.401267 0.674298 Ba\n0.136516 0.325702 0.401267 Ba\n0.537782 0.598733 0.325702 Ba\n0.000000 0.000000 0.000000 Ba\n0.590903 0.054442 0.763753 Nd\n0.249927 0.913992 0.586155 Nd\n0.645345 0.763753 0.945558 Nd\n0.409097 0.945558 0.236247 Nd\n0.750073 0.086008 0.413845 Nd\n0.163919 0.586154 0.086008 Nd\n0.354656 0.236247 0.054442 Nd\n0.836081 0.413845 0.913992 Nd\n0.041776 0.200470 0.715978 Mn\n0.757755 0.284022 0.200469 Mn\n0.242246 0.715978 0.799531 Mn\n0.958224 0.799530 0.284022 Mn\n0.029030 0.603987 0.337953 O\n0.970971 0.396013 0.662048 O\n0.091668 0.872463 0.408003 O\n0.366983 0.662047 0.603987 O\n0.499671 0.591997 0.872464 O\n0.964133 0.408002 0.127536 O\n0.372134 0.127536 0.591997 O\n0.908332 0.127536 0.591997 O\n0.500329 0.408002 0.127536 O\n0.035867 0.591997 0.872464 O\n0.627866 0.872463 0.408003 O\n0.939014 0.858735 0.773812 O\n0.712826 0.226188 0.858736 O\n0.797750 0.773811 0.141264 O\n0.571561 0.141264 0.226188 O\n0.060986 0.141264 0.226189 O\n0.287174 0.773811 0.141265 O\n0.202250 0.226188 0.858736 O\n0.428439 0.858735 0.773812 O\n0.500000 -0.000000 -0.000000 O\n0.633017 0.337952 0.396013 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.931105003716537,
"density_atomic": 0.06619022726292599,
"volume": 574.1028784967519,
"volume_molar": 9.098232486917414,
"formula_full": "Ba5 Nd8 Mn4 O21",
"formula_reduced": "Ba5Nd8Mn4O21",
"formula_anonymous": "A4B5C8D21",
"energy_above_hull": 2.6357324819872963,
"spacegroup": 87
},
{
"id": "jvasp-25025",
"created_at": "2022-09-04T14:38:28.427103Z",
"updated_at": "2022-09-04T14:38:28.427135Z",
"structure_string": "Ba10 P6 Cl2 O24\n1.0\n5.172889 -8.959706 0.000000\n5.172889 8.959706 -0.000000\n0.000000 -0.000000 7.701696\nBa P Cl O\n10 6 2 24\ndirect\n0.333333 0.666667 -0.000604 Ba\n0.015966 0.756239 0.750000 Ba\n0.984034 0.243761 0.250000 Ba\n0.243761 0.259728 0.750000 Ba\n0.259728 0.015966 0.250000 Ba\n0.666667 0.333333 0.499396 Ba\n0.333333 0.666667 0.500604 Ba\n0.740273 0.984034 0.750000 Ba\n0.756239 0.740273 0.250000 Ba\n0.666667 0.333333 0.000604 Ba\n0.406474 0.035212 0.750000 P\n0.371261 0.406474 0.250000 P\n0.593527 0.964788 0.250000 P\n0.964788 0.371261 0.750000 P\n0.628739 0.593527 0.750000 P\n0.035212 0.628739 0.250000 P\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.730136 0.643972 0.913969 O\n0.086164 0.730136 0.413968 O\n0.913836 0.269863 0.913969 O\n0.580530 0.116421 0.750000 O\n0.522879 0.659976 0.750000 O\n0.269863 0.356028 0.413968 O\n0.730136 0.643972 0.586032 O\n0.419470 0.883579 0.250000 O\n0.116421 0.535890 0.250000 O\n0.464110 0.580530 0.250000 O\n0.643972 0.913836 0.086032 O\n0.862903 0.522879 0.250000 O\n0.086164 0.730136 0.086032 O\n0.340024 0.862903 0.750000 O\n0.913836 0.269863 0.586032 O\n0.883579 0.464110 0.750000 O\n0.477121 0.340024 0.250000 O\n0.643972 0.913836 0.413968 O\n0.137097 0.477121 0.750000 O\n0.356028 0.086164 0.913969 O\n0.269863 0.356028 0.086032 O\n0.356028 0.086164 0.586032 O\n0.535890 0.419470 0.750000 O\n0.659976 0.137097 0.250000 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ba",
"P",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-P",
"density": 4.684531643233837,
"density_atomic": 0.05883096930938477,
"volume": 713.9097059429229,
"volume_molar": 10.236344616948784,
"formula_full": "Ba10 P6 Cl2 O24",
"formula_reduced": "Ba5P3ClO12",
"formula_anonymous": "AB3C5D12",
"energy_above_hull": 2.071844877023809,
"spacegroup": 176
}
]
}