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{
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"results": [
{
"id": "jvasp-110074",
"created_at": "2022-09-04T14:38:27.486128Z",
"updated_at": "2022-09-04T14:38:27.486151Z",
"structure_string": "Sr2 Ho1 U1 O6\n1.0\n5.298860 -0.000000 3.059298\n1.766287 4.995813 3.059298\n-0.000000 -0.000000 6.118596\nSr Ho U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 U\n0.753654 0.246346 0.246347 O\n0.246347 0.753653 0.753654 O\n0.246347 0.753653 0.246347 O\n0.753654 0.246346 0.753655 O\n0.246346 0.246346 0.753654 O\n0.753654 0.753653 0.246347 O\n",
"nsites": 10,
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"elements": [
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"U",
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],
"chemical_system": "Ho-O-Sr-U",
"density": 6.911855229310182,
"density_atomic": 0.06173900165747503,
"volume": 161.97216883226446,
"volume_molar": 9.754191999103815,
"formula_full": "Sr2 Ho1 U1 O6",
"formula_reduced": "Sr2HoUO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-58379",
"created_at": "2022-09-04T14:37:29.886124Z",
"updated_at": "2022-09-04T14:37:29.886145Z",
"structure_string": "Sr2 Ho1 Re1 O6\n1.0\n5.082194 -0.000000 2.934206\n1.694065 4.791538 2.934206\n-0.000000 0.000000 5.868412\nSr Ho Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750000 0.750001 Sr\n0.499999 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 Re\n0.236748 0.763251 0.763252 O\n0.236748 0.763251 0.236750 O\n0.763250 0.236749 0.763252 O\n0.236748 0.236749 0.763251 O\n0.763250 0.236749 0.236750 O\n0.763250 0.763251 0.236750 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"chemical_system": "Ho-O-Re-Sr",
"density": 7.231919299077044,
"density_atomic": 0.06997666289484879,
"volume": 142.90478548579276,
"volume_molar": 8.605927334730492,
"formula_full": "Sr2 Ho1 Re1 O6",
"formula_reduced": "Sr2HoReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.311607718666666,
"spacegroup": 225
},
{
"id": "jvasp-90872",
"created_at": "2022-09-04T14:36:07.529610Z",
"updated_at": "2022-09-04T14:36:07.529633Z",
"structure_string": "Sr2 Hg6\n1.0\n0.000000 0.000000 -5.295079\n-3.461805 -5.998128 0.000000\n-3.461805 5.998128 -0.000000\nSr Hg\n2 6\ndirect\n0.750000 0.666711 0.333290 Sr\n0.250000 0.333290 0.666711 Sr\n0.750000 0.159424 0.318683 Hg\n0.750000 0.159398 0.840604 Hg\n0.750000 0.681318 0.840577 Hg\n0.250000 0.840577 0.681318 Hg\n0.250000 0.840604 0.159398 Hg\n0.250000 0.318683 0.159424 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.411739718642963,
"density_atomic": 0.03638054637509615,
"volume": 219.8977419832348,
"volume_molar": 16.55318943786502,
"formula_full": "Sr2 Hg6",
"formula_reduced": "SrHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-93434",
"created_at": "2022-09-04T14:35:51.157699Z",
"updated_at": "2022-09-04T14:35:51.157717Z",
"structure_string": "Sr2 Hg4\n1.0\n4.669017 -0.000000 2.012602\n2.068297 5.811086 1.623883\n0.019301 0.113644 6.377326\nSr Hg\n2 4\ndirect\n0.485475 0.264525 0.764526 Sr\n0.514526 0.735475 0.235474 Sr\n0.833620 0.683605 0.649155 Hg\n0.166381 0.850844 0.816395 Hg\n0.833620 0.149156 0.183605 Hg\n0.166381 0.316395 0.350844 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 9.415286644705432,
"density_atomic": 0.0347996203906047,
"volume": 172.41567386809476,
"volume_molar": 17.30519095439867,
"formula_full": "Sr2 Hg4",
"formula_reduced": "SrHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.11292,
"spacegroup": 74
},
{
"id": "jvasp-35088",
"created_at": "2022-09-04T14:37:30.864377Z",
"updated_at": "2022-09-04T14:37:30.864407Z",
"structure_string": "Sr2 Hg2 Pb2\n1.0\n5.089052 0.000000 0.000000\n-2.544527 4.407790 0.000000\n0.000000 0.000000 8.237970\nSr Hg Pb\n2 2 2\ndirect\n0.999954 0.999909 0.665730 Sr\n0.000045 0.000091 0.165730 Sr\n0.666640 0.333281 0.474783 Hg\n0.333359 0.666719 0.974783 Hg\n0.666676 0.333354 0.879487 Pb\n0.333322 0.666646 0.379487 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 8.903604739142311,
"density_atomic": 0.03246932502112245,
"volume": 184.7897976350536,
"volume_molar": 18.547169539503464,
"formula_full": "Sr2 Hg2 Pb2",
"formula_reduced": "SrHgPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0663567577777778,
"spacegroup": 186
},
{
"id": "jvasp-77404",
"created_at": "2022-09-04T14:38:06.761326Z",
"updated_at": "2022-09-04T14:38:06.761350Z",
"structure_string": "Sr2 Hg1 Sb1\n1.0\n-6.400714 -4.694855 -11.362119\n-4.322132 -3.112518 -1.915510\n-2.687482 1.510971 -4.746808\nSr Hg Sb\n2 1 1\ndirect\n0.749988 0.000013 0.000014 Sr\n0.250012 -0.000014 -0.000013 Sr\n0.500000 -0.000001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
"Sr",
"Hg",
"Sb"
],
"chemical_system": "Hg-Sb-Sr",
"density": 6.439946637905901,
"density_atomic": 0.03117608083262156,
"volume": 128.303490790752,
"volume_molar": 19.316542038531804,
"formula_full": "Sr2 Hg1 Sb1",
"formula_reduced": "Sr2HgSb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40310",
"created_at": "2022-09-04T14:37:54.494573Z",
"updated_at": "2022-09-04T14:37:54.494598Z",
"structure_string": "Sr2 Hg1 Pb1\n1.0\n0.000000 4.031010 4.031010\n4.031010 0.000000 4.031010\n4.031010 4.031010 0.000000\nSr Hg Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.249999 0.249999 0.249999 Hg\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb-Sr",
"density": 7.3904073578740705,
"density_atomic": 0.030534328180874187,
"volume": 131.00009852207862,
"volume_molar": 19.722525821845636,
"formula_full": "Sr2 Hg1 Pb1",
"formula_reduced": "Sr2HgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104615",
"created_at": "2022-09-04T14:37:06.731501Z",
"updated_at": "2022-09-04T14:37:06.731521Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n4.771843 -0.000000 2.755025\n1.590614 4.498937 2.755025\n-0.000000 -0.000000 5.510049\nSr Hg Ge\n2 1 1\ndirect\n0.749999 0.750001 0.749999 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Hg\n0.499999 0.500000 0.499999 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Sr",
"density": 6.295510825740735,
"density_atomic": 0.033814928411547054,
"volume": 118.29094982303992,
"volume_molar": 17.80911876171109,
"formula_full": "Sr2 Hg1 Ge1",
"formula_reduced": "Sr2HgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-76773",
"created_at": "2022-09-04T14:37:15.874971Z",
"updated_at": "2022-09-04T14:37:15.874990Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-12.685315 4.593605 0.176523\n-8.964875 1.554592 2.872466\n-7.373737 6.053579 0.117853\nSr Hg Ge\n2 1 1\ndirect\n0.750177 -0.000127 -0.000125 Sr\n0.249825 0.000126 0.000122 Sr\n0.500001 -0.000001 -0.000001 Hg\n0.000000 -0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
"Sr",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Sr",
"density": 6.297278570866856,
"density_atomic": 0.0338244234591364,
"volume": 118.25774369317594,
"volume_molar": 17.804119462007698,
"formula_full": "Sr2 Hg1 Ge1",
"formula_reduced": "Sr2HgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.007345,
"spacegroup": 225
},
{
"id": "jvasp-50625",
"created_at": "2022-09-04T14:36:59.925776Z",
"updated_at": "2022-09-04T14:36:59.925788Z",
"structure_string": "Sr2 Hf7 O16\n1.0\n6.386835 0.000000 0.000000\n-3.193417 1.843720 8.907016\n3.193417 -5.531161 -0.000000\nSr Hf O\n2 7 16\ndirect\n0.333739 0.001216 0.333739 Sr\n0.666261 0.998784 0.666261 Sr\n0.000000 0.000000 0.000000 Hf\n0.252303 0.654025 0.514618 Hf\n0.112897 0.345975 0.747697 Hf\n0.485382 0.345975 0.112897 Hf\n0.514618 0.654025 0.887103 Hf\n0.887102 0.654025 0.252303 Hf\n0.747696 0.345975 0.485382 Hf\n0.850680 0.590109 0.590558 O\n0.851127 0.409891 0.149320 O\n0.962430 0.872137 0.230438 O\n0.679268 0.872137 0.962431 O\n0.409442 0.409891 0.851127 O\n0.429923 0.289771 0.429923 O\n0.570076 0.710229 0.570077 O\n0.148873 0.590109 0.850680 O\n0.320731 0.127863 0.037569 O\n0.037570 0.127863 0.769562 O\n0.769561 0.127863 0.320732 O\n0.149320 0.409891 0.409442 O\n0.230438 0.872137 0.679268 O\n0.236048 0.708145 0.236049 O\n0.590558 0.590109 0.148873 O\n0.763951 0.291855 0.763951 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
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"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 8.869412134347181,
"density_atomic": 0.07945217301179508,
"volume": 314.6547042368322,
"volume_molar": 7.579579678841487,
"formula_full": "Sr2 Hf7 O16",
"formula_reduced": "Sr2Hf7O16",
"formula_anonymous": "A2B7C16",
"energy_above_hull": 3.725097184800001,
"spacegroup": 148
},
{
"id": "jvasp-34251",
"created_at": "2022-09-04T14:37:08.222441Z",
"updated_at": "2022-09-04T14:37:08.222464Z",
"structure_string": "Sr2 Hf2 O6\n1.0\n5.759440 -0.000000 -0.000000\n-0.000000 5.759440 -0.000000\n0.000000 0.000000 4.161428\nSr Hf O\n2 2 6\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.500000 Hf\n0.198802 0.698802 0.500000 O\n0.301198 0.198802 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.698802 0.801198 0.500000 O\n0.801198 0.301198 0.500000 O\n",
"nsites": 10,
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"elements": [
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"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.557105160238373,
"density_atomic": 0.07244311200536169,
"volume": 138.0393487135102,
"volume_molar": 8.312923883714834,
"formula_full": "Sr2 Hf2 O6",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8558419619999995,
"spacegroup": 127
},
{
"id": "jvasp-11082",
"created_at": "2022-09-04T14:38:32.787124Z",
"updated_at": "2022-09-04T14:38:32.787157Z",
"structure_string": "Sr2 Hf2 O6\n1.0\n5.023772 -0.000000 2.898261\n1.691363 4.733199 2.871405\n0.008381 -0.019646 5.788643\nSr Hf O\n2 2 6\ndirect\n0.250000 0.258325 0.241675 Sr\n0.749999 0.741674 0.758326 Sr\n0.000000 0.000000 0.000000 Hf\n0.499999 0.500000 0.500001 Hf\n0.708967 0.291032 0.791032 O\n0.791031 0.708968 0.208969 O\n0.291032 0.708968 0.208969 O\n0.208968 0.291032 0.791032 O\n0.249999 0.825753 0.674248 O\n0.750000 0.174247 0.325753 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Hf-O-Sr",
"density": 7.574769365004566,
"density_atomic": 0.07261244271298446,
"volume": 137.7174438205728,
"volume_molar": 8.293538317948816,
"formula_full": "Sr2 Hf2 O6",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.853805962,
"spacegroup": 74
}
]
}