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{
"id": "jvasp-117250",
"created_at": "2022-09-04T14:38:49.910304Z",
"updated_at": "2022-09-04T14:38:49.910320Z",
"structure_string": "Sr6 Co2 Ru2 O12\n1.0\n6.785507 -0.000378 -0.252883\n-0.205939 6.648975 -0.338540\n-0.024311 0.004792 6.616460\nSr Co Ru O\n6 2 2 12\ndirect\n0.610148 0.882649 0.250998 Sr\n0.888137 0.247631 0.613347 Sr\n0.246787 0.616800 0.881661 Sr\n0.111857 0.752364 0.386652 Sr\n0.753212 0.383200 0.118338 Sr\n0.389853 0.117348 0.749004 Sr\n0.733172 0.734415 0.759765 Co\n0.266835 0.265583 0.240235 Co\n0.499995 0.500002 0.500002 Ru\n0.000001 0.000000 -0.000000 Ru\n0.939712 0.078474 0.282107 O\n0.592167 0.463643 0.792596 O\n0.785951 0.599250 0.472303 O\n0.453261 0.785245 0.590511 O\n0.715957 0.028074 0.898759 O\n0.546740 0.214761 0.409486 O\n0.060290 0.921521 0.717893 O\n0.407828 0.536366 0.207408 O\n0.214048 0.400746 0.527698 O\n0.094018 0.288334 0.969952 O\n0.905989 0.711664 0.030057 O\n0.284046 0.971928 0.101232 O\n",
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{
"id": "jvasp-102682",
"created_at": "2022-09-04T14:36:53.995353Z",
"updated_at": "2022-09-04T14:36:53.995373Z",
"structure_string": "Sr2 Co1 Ru1 O6\n1.0\n4.745397 -0.015675 2.654755\n1.549544 4.485304 2.654755\n-0.022076 -0.015675 5.437465\nSr Co Ru O\n2 1 1 6\ndirect\n0.250738 0.250738 0.250738 Sr\n0.749261 0.749263 0.749261 Sr\n0.499999 0.500001 0.500000 Co\n0.000000 0.000000 0.000000 Ru\n0.696869 0.250189 0.799394 O\n0.303130 0.749812 0.200606 O\n0.749812 0.200607 0.303130 O\n0.799394 0.696870 0.250187 O\n0.250187 0.799394 0.696870 O\n0.200605 0.303131 0.749812 O\n",
"nsites": 10,
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"elements": [
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"density": 6.159235740687917,
"density_atomic": 0.0860120106022816,
"volume": 116.26283271344357,
"volume_molar": 7.0015114375669,
"formula_full": "Sr2 Co1 Ru1 O6",
"formula_reduced": "Sr2CoRuO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 148
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{
"id": "jvasp-9495",
"created_at": "2022-09-04T14:38:08.311852Z",
"updated_at": "2022-09-04T14:38:08.311881Z",
"structure_string": "Sr4 Co2 S2 O6\n1.0\n3.934081 0.000000 0.000000\n0.000000 3.934251 0.000000\n0.000000 0.000000 13.502760\nSr Co S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.141361 Sr\n0.500000 0.000000 0.858639 Sr\n0.000000 0.500000 0.400723 Sr\n0.500000 0.000000 0.599276 Sr\n0.500000 0.000000 0.273984 Co\n0.000000 0.500000 0.726016 Co\n0.500000 0.000000 0.092247 S\n0.000000 0.500000 0.907754 S\n0.000000 0.000000 0.271048 O\n0.500000 0.500000 0.271052 O\n0.500000 0.500000 0.728953 O\n0.000000 0.000000 0.728948 O\n0.500000 0.000000 0.416807 O\n0.000000 0.500000 0.583194 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-O-S-Sr",
"density": 4.993530042227721,
"density_atomic": 0.06698848034386139,
"volume": 208.99115680988749,
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"formula_full": "Sr4 Co2 S2 O6",
"formula_reduced": "Sr2CoSO3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 129
},
{
"id": "jvasp-23297",
"created_at": "2022-09-04T14:37:52.381948Z",
"updated_at": "2022-09-04T14:37:52.381961Z",
"structure_string": "Sr4 Co2 Se6 O18\n1.0\n7.145161 -0.043212 -0.003347\n-0.765716 7.728670 0.039019\n-2.258560 -2.215930 8.031710\nSr Co Se O\n4 2 6 18\ndirect\n0.620974 0.486426 0.806958 Sr\n0.379026 0.513574 0.193042 Sr\n0.759963 0.912182 0.604884 Sr\n0.240036 0.087818 0.395115 Sr\n0.090939 0.340725 0.751131 Co\n0.909061 0.659275 0.248869 Co\n0.781627 0.365307 0.410168 Se\n0.102229 0.796030 0.966870 Se\n0.629608 0.923183 0.198232 Se\n0.897770 0.203970 0.033130 Se\n0.218372 0.634694 0.589831 Se\n0.370391 0.076817 0.801768 Se\n0.815567 0.408182 0.072716 O\n0.336695 0.296930 0.887907 O\n0.849668 0.000309 0.352558 O\n0.518187 0.128554 0.683431 O\n0.481812 0.871446 0.316569 O\n0.127694 0.243993 0.169520 O\n0.872305 0.756007 0.830480 O\n0.184432 0.591818 0.927284 O\n0.229005 0.406815 0.599783 O\n0.059479 0.806353 0.158192 O\n0.533272 0.290493 0.351578 O\n0.466728 0.709507 0.648422 O\n0.770994 0.593185 0.400217 O\n0.663305 0.703070 0.112093 O\n0.839193 0.381226 0.622702 O\n0.160807 0.618774 0.377298 O\n0.940520 0.193647 0.841807 O\n0.150332 -0.000309 0.647441 O\n",
"nsites": 30,
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"volume": 443.82358556140423,
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"formula_full": "Sr4 Co2 Se6 O18",
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"formula_anonymous": "AB2C3D9",
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"spacegroup": 2
},
{
"id": "jvasp-86586",
"created_at": "2022-09-04T14:35:51.681970Z",
"updated_at": "2022-09-04T14:35:51.682001Z",
"structure_string": "Sr2 Co1 W1 O6\n1.0\n4.886976 0.018504 2.782278\n1.645978 4.572167 2.792397\n-0.012052 -0.003307 5.591343\nSr Co W O\n2 1 1 6\ndirect\n0.248768 0.249967 0.252687 Sr\n0.751234 0.750032 0.747313 Sr\n0.500001 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 W\n0.206268 0.788158 0.725936 O\n0.793735 0.211841 0.274064 O\n0.707075 0.260059 0.806980 O\n0.292927 0.739941 0.193020 O\n0.225776 0.259277 0.738437 O\n0.774225 0.740722 0.261562 O\n",
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"elements": [
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"density_atomic": 0.08003474131645846,
"volume": 124.94574025622026,
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"formula_full": "Sr2 Co1 W1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 2
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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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],
"chemical_system": "Cl-Cr-O-Sr",
"density": 3.8600662338297687,
"density_atomic": 0.056925151127558506,
"volume": 562.1416784347932,
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"formula_full": "Sr8 Cr4 Cl4 O16",
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"formula_anonymous": "ABC2D4",
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},
{
"id": "jvasp-103419",
"created_at": "2022-09-04T14:38:39.862626Z",
"updated_at": "2022-09-04T14:38:39.862641Z",
"structure_string": "Sr2 Cr2 H2 O4\n1.0\n4.770789 -0.037780 -2.411671\n1.788702 4.422941 2.411671\n-0.025261 0.037786 5.345643\nSr Cr H O\n2 2 2 4\ndirect\n0.750000 0.750000 0.499999 Sr\n0.250000 0.250001 0.499999 Sr\n0.500000 0.500000 -0.000001 Cr\n0.000001 -0.000000 0.000001 Cr\n0.249999 0.750000 -0.000001 H\n0.750000 0.250000 0.999999 H\n0.250000 0.749999 0.500000 O\n0.749999 0.250002 0.499999 O\n0.249999 0.250001 0.000000 O\n0.749999 0.750001 -0.000000 O\n",
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"elements": [
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],
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"density": 5.105279907628494,
"density_atomic": 0.08905169858624533,
"volume": 112.29432070085828,
"volume_molar": 6.762522058091504,
"formula_full": "Sr2 Cr2 H2 O4",
"formula_reduced": "SrCrHO2",
"formula_anonymous": "ABCD2",
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"spacegroup": 123
},
{
"id": "jvasp-23183",
"created_at": "2022-09-04T14:37:37.551099Z",
"updated_at": "2022-09-04T14:37:37.551118Z",
"structure_string": "Sr10 Cr6 O24 F2\n1.0\n4.996775 -8.654668 0.000000\n4.996775 8.654668 -0.000000\n-0.000000 -0.000000 7.465488\nSr Cr O F\n10 6 24 2\ndirect\n0.250278 0.010843 0.250000 Sr\n0.760565 0.749721 0.250000 Sr\n0.010843 0.760566 0.750000 Sr\n0.239434 0.250278 0.750000 Sr\n0.749721 0.989156 0.750000 Sr\n0.989156 0.239433 0.250000 Sr\n0.333332 0.666667 0.499513 Sr\n0.666667 0.333332 -0.000487 Sr\n0.666667 0.333332 0.500487 Sr\n0.333332 0.666667 0.000487 Sr\n0.600909 0.968912 0.250000 Cr\n0.631996 0.600909 0.750000 Cr\n0.968912 0.368003 0.750000 Cr\n0.368003 0.399090 0.250000 Cr\n0.031087 0.631996 0.250000 Cr\n0.399090 0.031087 0.750000 Cr\n0.657342 0.906986 0.067110 O\n0.126759 0.529144 0.250000 O\n0.402383 0.873240 0.250000 O\n0.750356 0.657343 0.567110 O\n0.481800 0.315534 0.250000 O\n0.833733 0.518199 0.250000 O\n0.166266 0.481800 0.750000 O\n0.518199 0.684465 0.750000 O\n0.684465 0.166265 0.250000 O\n0.470855 0.597616 0.250000 O\n0.597616 0.126759 0.750000 O\n0.529144 0.402383 0.750000 O\n0.906986 0.249643 0.932890 O\n0.093013 0.750356 0.067110 O\n0.249643 0.342656 0.067110 O\n0.342657 0.093013 0.567110 O\n0.342657 0.093013 0.932890 O\n0.249643 0.342656 0.432890 O\n0.093013 0.750356 0.432890 O\n0.750356 0.657343 0.932890 O\n0.657342 0.906986 0.432890 O\n0.873240 0.470855 0.750000 O\n0.315534 0.833734 0.750000 O\n0.906986 0.249643 0.567110 O\n0.000000 0.000000 0.250000 F\n0.000000 0.000000 0.750000 F\n",
"nsites": 42,
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"density": 4.140849621493676,
"density_atomic": 0.06504604366633072,
"volume": 645.696457965208,
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"formula_full": "Sr10 Cr6 O24 F2",
"formula_reduced": "Sr5Cr3O12F",
"formula_anonymous": "AB3C5D12",
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"spacegroup": 176
},
{
"id": "jvasp-9499",
"created_at": "2022-09-04T14:37:12.686381Z",
"updated_at": "2022-09-04T14:37:12.686413Z",
"structure_string": "Sr4 Cr2 S2 O6\n1.0\n3.931232 -0.000000 -0.000000\n-0.000000 3.931232 -0.000000\n-0.000000 0.000000 13.658643\nSr Cr S O\n4 2 2 6\ndirect\n0.000000 0.000000 0.864693 Sr\n0.500000 0.500000 0.135307 Sr\n0.000000 0.000000 0.598260 Sr\n0.500000 0.500000 0.401740 Sr\n0.500000 0.500000 0.723917 Cr\n0.000000 0.000000 0.276082 Cr\n0.500000 0.500000 0.907234 S\n0.000000 0.000000 0.092765 S\n0.500000 0.000000 0.726521 O\n0.000000 0.500000 0.726521 O\n0.000000 0.500000 0.273479 O\n0.500000 0.000000 0.273479 O\n0.500000 0.500000 0.583194 O\n0.000000 0.000000 0.416806 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.834769365685485,
"density_atomic": 0.06632284281366393,
"volume": 211.0886597447795,
"volume_molar": 9.0800401558772,
"formula_full": "Sr4 Cr2 S2 O6",
"formula_reduced": "Sr2CrSO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.7315086457142863,
"spacegroup": 129
},
{
"id": "jvasp-58079",
"created_at": "2022-09-04T14:37:32.380872Z",
"updated_at": "2022-09-04T14:37:32.380901Z",
"structure_string": "Sr3 Cr2 S2 O5\n1.0\n3.957338 0.000000 0.000000\n0.000000 3.957338 -0.000000\n-1.978669 -1.978669 11.164670\nSr Cr S O\n3 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.665931 0.665931 0.331861 Sr\n0.334069 0.334069 0.668139 Sr\n0.085021 0.085021 0.170042 Cr\n0.914979 0.914979 0.829958 Cr\n0.193468 0.193468 0.386937 S\n0.806532 0.806532 0.613063 S\n0.084775 0.584775 0.169550 O\n0.584775 0.084775 0.169550 O\n0.915225 0.415225 0.830450 O\n0.415225 0.915225 0.830450 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cr-O-S-Sr",
"density": 4.852886542121908,
"density_atomic": 0.06863238079139171,
"volume": 174.84458300337897,
"volume_molar": 8.774489083082099,
"formula_full": "Sr3 Cr2 S2 O5",
"formula_reduced": "Sr3Cr2S2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 2.216535935833333,
"spacegroup": 139
},
{
"id": "jvasp-63583",
"created_at": "2022-09-04T14:36:05.466509Z",
"updated_at": "2022-09-04T14:36:05.466538Z",
"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.551054 4.551054 3.314955\n4.551054 -4.551054 3.314955\n4.551054 4.551054 -3.314955\nSr Cu B O\n2 4 4 12\ndirect\n0.749999 0.749999 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.614050 0.885948 0.500000 Cu\n0.385949 0.114051 0.500000 Cu\n0.885948 0.385949 0.271897 Cu\n0.114051 0.614050 0.728102 Cu\n0.703973 0.203973 0.907946 B\n0.203973 0.296026 0.500000 B\n0.296026 0.796026 0.092053 B\n0.796026 0.703973 0.500000 B\n0.598030 0.098031 0.696061 O\n0.401969 0.901968 0.303938 O\n0.901968 0.598030 0.500000 O\n0.672006 0.353214 0.025221 O\n0.327993 0.646785 0.974779 O\n0.353214 0.327993 0.681207 O\n0.646785 0.672006 0.318792 O\n0.827992 0.853214 0.681207 O\n0.172007 0.146785 0.318792 O\n0.146785 0.827992 0.974779 O\n0.853214 0.172007 0.025221 O\n0.098031 0.401969 0.500000 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Cu-O-Sr",
"density": 4.018718235596185,
"density_atomic": 0.08010526749190795,
"volume": 274.6386185180942,
"volume_molar": 7.517783722035935,
"formula_full": "Sr2 Cu4 B4 O12",
"formula_reduced": "SrCu2(BO3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 140
},
{
"id": "jvasp-88384",
"created_at": "2022-09-04T14:35:41.103847Z",
"updated_at": "2022-09-04T14:35:41.103869Z",
"structure_string": "Sr4 Cu2 B4 O12\n1.0\n5.745845 0.035527 0.000000\n-2.720119 5.370853 0.000000\n0.000000 0.000000 8.890350\nSr Cu B O\n4 2 4 12\ndirect\n0.672647 0.337985 0.895726 Sr\n0.327352 0.662015 0.104274 Sr\n0.672647 0.837984 0.604274 Sr\n0.327352 0.162016 0.395726 Sr\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.801141 0.160790 0.247982 B\n0.198858 0.339210 0.747982 B\n0.801141 0.660790 0.252018 B\n0.198858 0.839210 0.752018 B\n0.413411 0.883549 0.836564 O\n0.586588 0.116451 0.163436 O\n0.586588 0.616451 0.336564 O\n0.035115 0.188009 0.186832 O\n0.791664 0.678934 0.094292 O\n0.791664 0.178934 0.405708 O\n0.208335 0.321066 0.905708 O\n0.964884 0.811992 0.813168 O\n0.035115 0.688008 0.313168 O\n0.964884 0.311992 0.686832 O\n0.413411 0.383549 0.663436 O\n0.208335 0.821066 0.594292 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Cu-O-Sr",
"density": 4.300790232484583,
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"volume": 275.21613364818046,
"volume_molar": 7.533592255692341,
"formula_full": "Sr4 Cu2 B4 O12",
"formula_reduced": "Sr2Cu(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.1687490215151515,
"spacegroup": 14
}
]
}