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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=870",
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"results": [
{
"id": "jvasp-85285",
"created_at": "2022-09-04T14:36:06.567085Z",
"updated_at": "2022-09-04T14:36:06.567115Z",
"structure_string": "Sr8 Fe3 N8\n1.0\n5.129834 0.000005 -1.450277\n-0.554650 7.146485 -1.961947\n-0.029454 0.055600 9.693646\nSr Fe N\n8 3 8\ndirect\n0.028762 0.264123 0.057526 Sr\n0.800097 0.194757 0.600195 Sr\n0.404763 0.032676 0.809520 Sr\n0.666638 0.469333 0.333279 Sr\n0.333362 0.530666 0.666721 Sr\n0.595237 0.967322 0.190479 Sr\n0.971238 0.735876 0.942473 Sr\n0.199903 0.805242 0.399804 Sr\n0.187625 0.205713 0.375269 Fe\n0.500000 0.499999 -0.000001 Fe\n0.812375 0.794286 0.624730 Fe\n0.276104 0.167761 0.552214 N\n0.473326 0.720937 0.946646 N\n0.526674 0.279062 0.053354 N\n0.107585 0.015063 0.215180 N\n0.892415 0.984936 0.784819 N\n0.723896 0.832237 0.447786 N\n0.821337 0.568511 0.642672 N\n0.178663 0.431488 0.357328 N\n",
"nsites": 19,
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"elements": [
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"density": 4.577938357793727,
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"volume": 355.6708565609965,
"volume_molar": 11.273157697053108,
"formula_full": "Sr8 Fe3 N8",
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{
"id": "jvasp-88303",
"created_at": "2022-09-04T14:36:19.089963Z",
"updated_at": "2022-09-04T14:36:19.089994Z",
"structure_string": "Sr8 Cr4 Cl4 O16\n1.0\n6.530299 0.000000 0.000000\n-0.000000 7.512988 0.000000\n0.000000 0.000000 11.457768\nSr Cr Cl O\n8 4 4 16\ndirect\n0.136093 0.465533 0.250000 Sr\n0.621079 0.250000 0.000000 Sr\n0.378921 0.750000 0.000000 Sr\n0.621079 0.250000 0.500000 Sr\n0.136093 0.034467 0.750000 Sr\n0.863907 0.965533 0.250000 Sr\n0.863907 0.534467 0.750000 Sr\n0.378921 0.750000 0.500000 Sr\n0.876527 0.750000 0.500000 Cr\n0.123473 0.250000 0.000000 Cr\n0.876527 0.750000 0.000000 Cr\n0.123473 0.250000 0.500000 Cr\n0.522978 0.674584 0.250000 Cl\n0.477022 0.174584 0.250000 Cl\n0.522978 0.825417 0.750000 Cl\n0.477022 0.325416 0.750000 Cl\n0.034870 0.729245 0.119172 O\n0.281630 0.425610 0.469464 O\n0.718370 0.574390 0.530536 O\n0.281630 0.425610 0.030536 O\n0.965130 0.270755 0.880828 O\n0.718370 0.925611 0.469464 O\n0.965130 0.229245 0.380828 O\n0.034870 0.770755 0.619172 O\n0.718370 0.574390 0.969464 O\n0.965130 0.229245 0.119172 O\n0.281630 0.074390 0.969464 O\n0.965130 0.270755 0.619172 O\n0.034870 0.729245 0.380828 O\n0.281630 0.074390 0.530536 O\n0.718370 0.925611 0.030536 O\n0.034870 0.770755 0.880828 O\n",
"nsites": 32,
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"elements": [
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"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-O-Sr",
"density": 3.8600662338297687,
"density_atomic": 0.056925151127558506,
"volume": 562.1416784347932,
"volume_molar": 10.579050983115566,
"formula_full": "Sr8 Cr4 Cl4 O16",
"formula_reduced": "Sr2CrClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6076497609374998,
"spacegroup": 57
},
{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Cl",
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],
"chemical_system": "Cl-O-Sr",
"density": 3.431081473147026,
"density_atomic": 0.03924171820730903,
"volume": 560.6278472256689,
"volume_molar": 15.346271863494335,
"formula_full": "Sr8 Cl12 O2",
"formula_reduced": "Sr4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-46041",
"created_at": "2022-09-04T14:38:12.155923Z",
"updated_at": "2022-09-04T14:38:12.155950Z",
"structure_string": "Sr8 Br12 O2\n1.0\n9.631297 -0.000000 -0.000000\n-0.000000 9.631297 -0.000000\n0.000000 0.000000 7.246558\nSr Br O\n8 12 2\ndirect\n0.500000 0.732282 0.845766 Sr\n0.232282 0.000000 0.345766 Sr\n0.767719 0.000000 0.345766 Sr\n0.500000 0.267719 0.845766 Sr\n0.000000 0.232282 0.654234 Sr\n0.732282 0.500000 0.154234 Sr\n0.267719 0.500000 0.154234 Sr\n0.000000 0.767719 0.654234 Sr\n0.701115 0.701115 0.500000 Br\n0.298885 0.701115 0.500000 Br\n0.000000 0.500000 0.878768 Br\n0.000000 0.500000 0.378768 Br\n0.701115 0.298885 0.500000 Br\n0.298885 0.298885 0.500000 Br\n0.500000 0.000000 0.121232 Br\n0.798885 0.201115 0.000000 Br\n0.500000 0.000000 0.621233 Br\n0.798885 0.798885 0.000000 Br\n0.201115 0.798885 0.000000 Br\n0.201115 0.201115 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Br-O-Sr",
"density": 4.179251820730112,
"density_atomic": 0.03272814250313052,
"volume": 672.2043573935078,
"volume_molar": 18.40049663504114,
"formula_full": "Sr8 Br12 O2",
"formula_reduced": "Sr4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0094363636363636,
"spacegroup": 137
},
{
"id": "jvasp-26790",
"created_at": "2022-09-04T14:38:31.020344Z",
"updated_at": "2022-09-04T14:38:31.020362Z",
"structure_string": "Sr8 Br12 O2\n1.0\n4.938816 -8.554281 -0.000000\n4.938816 8.554281 0.000000\n0.000000 -0.000000 7.546334\nSr Br O\n8 12 2\ndirect\n0.800061 0.600121 0.998559 Sr\n0.399880 0.199940 0.998559 Sr\n0.666667 0.333333 0.583251 Sr\n0.199940 0.800061 0.498560 Sr\n0.600121 0.800061 0.498560 Sr\n0.199940 0.399880 0.498560 Sr\n0.333333 0.666667 0.083251 Sr\n0.800061 0.199940 0.998559 Sr\n0.862604 0.137396 0.611982 Br\n0.466325 0.533675 0.794087 Br\n0.137396 0.274793 0.111982 Br\n0.274793 0.137396 0.611982 Br\n0.932652 0.466326 0.294087 Br\n0.067349 0.533675 0.794087 Br\n0.533675 0.466325 0.294087 Br\n0.725208 0.862605 0.111982 Br\n0.137396 0.862604 0.111982 Br\n0.466326 0.932652 0.794087 Br\n0.533675 0.067349 0.294087 Br\n0.862605 0.725208 0.611982 Br\n0.333333 0.666667 0.398157 O\n0.666667 0.333333 0.898157 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Br",
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],
"chemical_system": "Br-O-Sr",
"density": 4.405827467505523,
"density_atomic": 0.0345024792441286,
"volume": 637.6353375748732,
"volume_molar": 17.454226165572745,
"formula_full": "Sr8 Br12 O2",
"formula_reduced": "Sr4Br6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-30935",
"created_at": "2022-09-04T14:38:31.726175Z",
"updated_at": "2022-09-04T14:38:31.726192Z",
"structure_string": "Sr8 Bi6\n1.0\n8.283417 0.000000 -2.928630\n-4.141708 7.173649 -2.928630\n-0.000000 -0.000000 8.785890\nSr Bi\n8 6\ndirect\n0.645881 0.645881 0.645881 Sr\n0.354120 0.500000 0.000000 Sr\n0.500000 0.000000 0.354120 Sr\n-0.000000 0.354120 0.500000 Sr\n0.500000 0.000000 0.854120 Sr\n-0.000000 0.854120 0.500000 Sr\n0.145880 0.145880 0.145880 Sr\n0.854120 0.500000 0.000000 Sr\n0.750000 0.875000 0.125000 Bi\n0.625000 0.375000 0.250000 Bi\n0.875000 0.125000 0.750000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n0.250000 0.625000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
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],
"chemical_system": "Bi-Sr",
"density": 6.217638067424463,
"density_atomic": 0.026815915344165765,
"volume": 522.0780204710009,
"volume_molar": 22.457338049846634,
"formula_full": "Sr8 Bi6",
"formula_reduced": "Sr4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.2312591857142857,
"spacegroup": 220
},
{
"id": "jvasp-59144",
"created_at": "2022-09-04T14:38:32.436114Z",
"updated_at": "2022-09-04T14:38:32.436133Z",
"structure_string": "Sr8 Bi12\n1.0\n6.653830 -0.000000 0.000000\n-0.000000 6.867713 0.000000\n0.000000 0.000000 15.648182\nSr Bi\n8 12\ndirect\n0.940099 0.000000 0.250000 Sr\n0.559901 0.500000 0.250000 Sr\n0.059901 0.000000 0.750000 Sr\n0.440099 0.500000 0.750000 Sr\n0.750000 0.750000 0.000133 Sr\n0.750000 0.250000 0.499867 Sr\n0.250000 0.250000 0.999867 Sr\n0.250000 0.750000 0.500133 Sr\n0.578900 0.936149 0.653512 Bi\n0.578900 0.063851 0.846487 Bi\n0.078900 0.563850 0.153513 Bi\n0.078900 0.436149 0.346487 Bi\n0.421100 0.063851 0.346487 Bi\n0.750000 0.250000 0.069546 Bi\n0.250000 0.750000 0.930454 Bi\n0.250000 0.250000 0.569546 Bi\n0.921100 0.563850 0.653512 Bi\n0.750000 0.750000 0.430454 Bi\n0.421100 0.936149 0.153513 Bi\n0.921100 0.436149 0.846487 Bi\n",
"nsites": 20,
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"elements": [
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"density": 7.4513307470498935,
"density_atomic": 0.027969343225419364,
"volume": 715.0686320665338,
"volume_molar": 21.531219776826582,
"formula_full": "Sr8 Bi12",
"formula_reduced": "Sr2Bi3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3909217199999999,
"spacegroup": 52
},
{
"id": "jvasp-21050",
"created_at": "2022-09-04T14:38:34.974667Z",
"updated_at": "2022-09-04T14:38:34.974675Z",
"structure_string": "Sr8 B8 O20\n1.0\n0.000000 7.767284 0.085702\n5.372750 0.000000 0.000000\n0.000000 -0.555701 -11.896733\nSr B O\n8 8 20\ndirect\n0.118593 0.953859 0.868033 Sr\n0.881407 0.453859 0.631967 Sr\n0.881407 0.046141 0.131967 Sr\n0.118593 0.546141 0.368033 Sr\n0.624100 0.910864 0.839622 Sr\n0.375900 0.410864 0.660378 Sr\n0.375900 0.089136 0.160378 Sr\n0.624100 0.589136 0.339622 Sr\n0.659330 0.930555 0.594605 B\n0.340669 0.430555 0.905395 B\n0.340669 0.069445 0.405395 B\n0.659330 0.569445 0.094605 B\n0.159575 0.546060 0.084140 B\n0.159575 0.953940 0.584140 B\n0.840424 0.453940 0.915860 B\n0.840424 0.046060 0.415860 B\n0.097574 0.095430 0.668374 O\n0.252202 0.397471 0.006186 O\n0.747798 0.897471 0.493814 O\n0.854397 0.202046 0.927587 O\n0.145603 0.702046 0.572413 O\n0.145603 0.797954 0.072413 O\n0.854397 0.297954 0.427587 O\n0.902425 0.595430 0.831626 O\n0.097574 0.404570 0.168374 O\n0.643219 0.347006 0.146946 O\n0.605488 0.713055 0.640763 O\n0.394512 0.213055 0.859237 O\n0.394512 0.286945 0.359237 O\n0.605488 0.786945 0.140763 O\n0.356781 0.652994 0.853054 O\n0.643219 0.152994 0.646946 O\n0.252202 0.102529 0.506186 O\n0.356781 0.847006 0.353054 O\n0.902425 0.904570 0.331626 O\n0.747798 0.602529 0.993814 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "B-O-Sr",
"density": 3.7059374990354077,
"density_atomic": 0.07254923823028867,
"volume": 496.21472090068505,
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"formula_full": "Sr8 B8 O20",
"formula_reduced": "Sr2B2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.2774905874074074,
"spacegroup": 14
},
{
"id": "jvasp-45249",
"created_at": "2022-09-04T14:38:04.669517Z",
"updated_at": "2022-09-04T14:38:04.669542Z",
"structure_string": "Sr8 B4 N8 F4\n1.0\n3.907777 0.000000 0.000000\n0.000000 9.894139 0.000000\n0.000000 0.000000 10.238087\nSr B N F\n8 4 8 4\ndirect\n0.250000 0.677379 0.019529 Sr\n0.750001 0.822622 0.519529 Sr\n0.250000 0.177379 0.480472 Sr\n0.750001 0.322622 0.980472 Sr\n0.250000 0.526126 0.660904 Sr\n0.750001 0.473874 0.339096 Sr\n0.250000 0.026126 0.839096 Sr\n0.750001 0.973874 0.160904 Sr\n0.250000 0.228634 0.172917 B\n0.750001 0.771366 0.827083 B\n0.250000 0.728634 0.327083 B\n0.750001 0.271366 0.672917 B\n0.250000 0.647252 0.433394 N\n0.750001 0.352748 0.566606 N\n0.250000 0.147252 0.066606 N\n0.750001 0.182970 0.771133 N\n0.250000 0.317030 0.271133 N\n0.750001 0.682970 0.728868 N\n0.250000 0.817030 0.228868 N\n0.750001 0.852748 0.933395 N\n0.250000 0.453739 0.898396 F\n0.750001 0.546261 0.101604 F\n0.750001 0.046261 0.398396 F\n0.250000 0.953739 0.601604 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"N",
"F"
],
"chemical_system": "B-F-N-Sr",
"density": 3.9107086229597545,
"density_atomic": 0.06062959206769227,
"volume": 395.84630510467997,
"volume_molar": 9.932675702776207,
"formula_full": "Sr8 B4 N8 F4",
"formula_reduced": "Sr2BN2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.158306997638889,
"spacegroup": 62
},
{
"id": "jvasp-55622",
"created_at": "2022-09-04T14:37:14.835289Z",
"updated_at": "2022-09-04T14:37:14.835313Z",
"structure_string": "Sr8 B4 N8 Cl4\n1.0\n4.161049 -0.000000 0.000000\n-0.000000 9.268974 0.000000\n0.000000 0.000000 12.428391\nSr B N Cl\n8 4 8 4\ndirect\n0.250000 0.882013 0.587069 Sr\n0.250000 0.617986 0.087069 Sr\n0.750000 0.382014 0.912931 Sr\n0.750000 0.117986 0.412931 Sr\n0.750000 0.942194 0.829958 Sr\n0.250000 0.057806 0.170042 Sr\n0.250000 0.442194 0.670042 Sr\n0.750000 0.557805 0.329958 Sr\n0.250000 0.828243 0.333969 B\n0.750000 0.171756 0.666031 B\n0.750000 0.328244 0.166031 B\n0.250000 0.671756 0.833969 B\n0.750000 0.301130 0.714074 N\n0.250000 0.698870 0.285926 N\n0.250000 0.801129 0.785926 N\n0.750000 0.462225 0.122904 N\n0.750000 0.037775 0.622904 N\n0.250000 0.962224 0.377096 N\n0.250000 0.537775 0.877096 N\n0.750000 0.198870 0.214074 N\n0.250000 0.145109 0.937721 Cl\n0.750000 0.854890 0.062279 Cl\n0.250000 0.354891 0.437721 Cl\n0.750000 0.645109 0.562279 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-Cl-N-Sr",
"density": 3.4574867416531005,
"density_atomic": 0.050068184041507764,
"volume": 479.34632460612926,
"volume_molar": 12.027879331528174,
"formula_full": "Sr8 B4 N8 Cl4",
"formula_reduced": "Sr2BN2Cl",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.2656142951388887,
"spacegroup": 62
},
{
"id": "jvasp-22034",
"created_at": "2022-09-04T14:37:34.626220Z",
"updated_at": "2022-09-04T14:37:34.626237Z",
"structure_string": "Sr8 Al16 S32\n1.0\n11.551426 -0.007091 -3.074151\n-6.721065 9.394826 -3.074151\n-0.011716 -0.022771 12.094625\nSr Al S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Sr\n0.375000 0.625000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.623410 0.873410 0.746819 Sr\n0.126590 0.376590 0.753181 Sr\n0.376590 0.126590 0.253181 Sr\n0.873410 0.623410 0.246819 Sr\n0.125000 0.875000 0.750000 Sr\n0.531041 0.637495 0.999776 Al\n0.637719 0.031265 0.500225 Al\n0.362505 0.468960 0.500225 Al\n0.968735 0.362282 0.999776 Al\n0.889827 0.864677 0.999094 Al\n0.362281 0.968735 0.499776 Al\n0.637495 0.531041 0.499776 Al\n0.031265 0.637719 0.000225 Al\n0.865583 0.390734 0.500907 Al\n0.135324 0.110173 0.500907 Al\n0.609267 0.134417 0.999094 Al\n0.110173 0.135324 0.000907 Al\n0.134417 0.609267 0.499094 Al\n0.864676 0.889827 0.499094 Al\n0.468959 0.362505 0.000225 Al\n0.390733 0.865583 0.000907 Al\n0.918394 0.418465 0.835541 S\n0.417146 0.417076 0.835541 S\n0.581535 0.081606 0.664460 S\n0.645553 0.336571 0.998327 S\n0.338244 0.147227 0.501674 S\n0.661756 0.852774 0.498327 S\n0.852773 0.661756 0.998327 S\n0.354447 0.663430 0.001674 S\n0.336570 0.645553 0.498327 S\n0.147227 0.338244 0.001674 S\n0.663430 0.354448 0.501674 S\n0.582924 0.582854 0.664460 S\n0.582854 0.582924 0.164460 S\n0.081606 0.581535 0.164459 S\n0.312413 0.160602 0.001559 S\n0.159043 0.810854 0.498441 S\n0.839398 0.687588 0.498441 S\n0.189147 0.840957 0.001559 S\n0.687587 0.839399 0.998442 S\n0.840957 0.189147 0.501559 S\n0.160602 0.312413 0.501559 S\n0.418465 0.918395 0.335541 S\n0.810853 0.159043 0.998442 S\n0.081314 0.080549 0.163701 S\n0.582387 0.083151 0.163701 S\n0.083150 0.582387 0.663701 S\n0.918686 0.919451 0.836300 S\n0.417613 0.916850 0.836300 S\n0.080549 0.081314 0.663701 S\n0.417076 0.417147 0.335541 S\n0.916850 0.417613 0.336300 S\n0.919451 0.918687 0.336300 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"Al",
"S"
],
"chemical_system": "Al-S-Sr",
"density": 2.7356480190688046,
"density_atomic": 0.04273639454493484,
"volume": 1310.3585502777792,
"volume_molar": 14.091363635432721,
"formula_full": "Sr8 Al16 S32",
"formula_reduced": "Sr(AlS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4589917014285714,
"spacegroup": 70
},
{
"id": "jvasp-55694",
"created_at": "2022-09-04T14:38:07.536456Z",
"updated_at": "2022-09-04T14:38:07.536482Z",
"structure_string": "Sr7 H12 Cl2\n1.0\n4.980159 -8.625888 0.000000\n4.980159 8.625888 0.000000\n-0.000000 -0.000000 3.927506\nSr H Cl\n7 12 2\ndirect\n0.783723 0.050185 0.500000 Sr\n0.362656 0.921206 0.000000 Sr\n0.078794 0.441450 0.000000 Sr\n0.558550 0.637344 0.000000 Sr\n0.666667 0.333333 0.000000 Sr\n0.266462 0.216277 0.500000 Sr\n0.949815 0.733538 0.500000 Sr\n0.092002 0.698826 0.000000 H\n0.301174 0.393176 0.000000 H\n0.606824 0.907998 0.000000 H\n0.824182 0.214243 0.000000 H\n0.390062 0.175818 0.000000 H\n0.785757 0.609939 0.000000 H\n0.227072 0.943044 0.500000 H\n0.056956 0.284028 0.500000 H\n0.563547 0.116862 0.500000 H\n0.553316 0.436453 0.500000 H\n0.883138 0.446685 0.500000 H\n0.715972 0.772928 0.500000 H\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666667 0.500000 Cl\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sr",
"H",
"Cl"
],
"chemical_system": "Cl-H-Sr",
"density": 3.42671008424137,
"density_atomic": 0.062233670828911965,
"volume": 337.4379129544132,
"volume_molar": 9.676660045581448,
"formula_full": "Sr7 H12 Cl2",
"formula_reduced": "Sr7(H6Cl)2",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 1.5902720145238094,
"spacegroup": 174
}
]
}