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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4588",
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"results": [
{
"id": "jvasp-86909",
"created_at": "2022-09-04T14:36:11.553636Z",
"updated_at": "2022-09-04T14:36:11.553665Z",
"structure_string": "Sr10 In6\n1.0\n7.870113 0.000000 -3.697611\n-1.737247 7.675979 -3.697611\n0.005210 0.006521 10.235394\nSr In\n10 6\ndirect\n0.028032 0.528032 0.707660 Sr\n0.320372 0.820373 0.292339 Sr\n0.971967 0.471968 0.292339 Sr\n0.500000 0.500000 -0.000000 Sr\n0.820372 0.971968 0.292339 Sr\n0.528032 0.679627 0.707660 Sr\n0.679627 0.179627 0.707660 Sr\n0.179627 0.028032 0.707660 Sr\n0.471967 0.320373 0.292339 Sr\n0.000000 0.000000 0.000000 Sr\n0.118081 0.381919 0.000000 In\n0.618081 0.118081 -0.000000 In\n0.881918 0.618081 -0.000000 In\n0.749999 0.750000 0.500000 In\n0.381918 0.881919 0.000000 In\n0.250000 0.250000 0.500000 In\n",
"nsites": 16,
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"elements": [
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"chemical_system": "In-Sr",
"density": 4.200564048158711,
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"volume": 618.7080943539984,
"volume_molar": 23.287170209694622,
"formula_full": "Sr10 In6",
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{
"id": "jvasp-5509",
"created_at": "2022-09-04T14:36:10.192765Z",
"updated_at": "2022-09-04T14:36:10.192790Z",
"structure_string": "Ga8 Br16\n1.0\n7.544973 0.000000 0.000000\n0.000000 9.914748 0.000000\n0.000000 0.000000 10.011802\nGa Br\n8 16\ndirect\n0.750000 0.000000 0.679309 Ga\n0.750000 0.500000 0.820690 Ga\n0.250000 0.000000 0.320690 Ga\n0.250000 0.500000 0.179310 Ga\n0.157125 0.250000 0.750000 Ga\n0.342875 0.750000 0.750000 Ga\n0.842875 0.750000 0.250000 Ga\n0.657125 0.250000 0.250000 Ga\n0.498489 0.545384 0.316752 Br\n0.498489 0.954617 0.183248 Br\n-0.001511 0.954617 0.816752 Br\n-0.001511 0.545384 0.683248 Br\n0.501511 0.454617 0.683248 Br\n0.501511 0.045384 0.816752 Br\n0.337390 0.185942 0.452619 Br\n0.662610 0.814058 0.547381 Br\n0.162610 0.685943 0.047381 Br\n0.162610 0.814058 0.452619 Br\n0.001511 0.454617 0.316752 Br\n0.662610 0.685943 0.952619 Br\n0.837390 0.314058 0.952619 Br\n0.837390 0.185942 0.547381 Br\n0.337390 0.314058 0.047381 Br\n0.001511 0.045384 0.183248 Br\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "Br-Ga",
"density": 4.071259741976256,
"density_atomic": 0.032044951547078725,
"volume": 748.9479260014011,
"volume_molar": 18.792790967877092,
"formula_full": "Ga8 Br16",
"formula_reduced": "GaBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 52
},
{
"id": "jvasp-18473",
"created_at": "2022-09-04T14:36:37.006551Z",
"updated_at": "2022-09-04T14:36:37.006566Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Br"
],
"chemical_system": "Br-Tb",
"density": 6.4666923390704145,
"density_atomic": 0.03261184735540558,
"volume": 122.65481180528646,
"volume_molar": 18.466113539568617,
"formula_full": "Tb2 Br2",
"formula_reduced": "TbBr",
"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-5224",
"created_at": "2022-09-04T14:36:31.183613Z",
"updated_at": "2022-09-04T14:36:31.183639Z",
"structure_string": "Hg2 I4\n1.0\n4.444868 0.000000 0.000000\n0.000000 4.444868 0.000000\n0.000000 0.000000 12.472781\nHg I\n2 4\ndirect\n0.000000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.143783 I\n0.500000 0.000000 0.643783 I\n0.000000 0.500000 0.356217 I\n0.000000 0.500000 0.856217 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"I"
],
"chemical_system": "Hg-I",
"density": 6.124002642211777,
"density_atomic": 0.02434838818423919,
"volume": 246.42288247580282,
"volume_molar": 24.733221412570366,
"formula_full": "Hg2 I4",
"formula_reduced": "HgI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 137
},
{
"id": "jvasp-13012",
"created_at": "2022-09-04T14:36:31.207197Z",
"updated_at": "2022-09-04T14:36:31.207225Z",
"structure_string": "Cd6 Cl4 O4\n1.0\n0.000000 6.452805 -0.021523\n6.791419 0.000000 0.000000\n0.000000 -2.918061 -6.042048\nCd Cl O\n6 4 4\ndirect\n0.410731 0.874660 0.767102 Cd\n0.589269 0.374660 0.732898 Cd\n0.589269 0.125340 0.232898 Cd\n0.410730 0.625340 0.267101 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.808856 0.635737 0.066774 Cl\n0.191143 0.135737 0.433226 Cl\n0.808856 0.864264 0.566774 Cl\n0.191143 0.364264 0.933226 Cl\n0.332423 0.613396 0.562832 O\n0.667577 0.113396 0.937168 O\n0.667577 0.386604 0.437168 O\n0.332422 0.886604 0.062832 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cd-Cl-O",
"density": 5.5115720408755395,
"density_atomic": 0.05278806740832591,
"volume": 265.21145189323363,
"volume_molar": 11.408147817607295,
"formula_full": "Cd6 Cl4 O4",
"formula_reduced": "Cd3(ClO)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-64402",
"created_at": "2022-09-04T14:36:10.183558Z",
"updated_at": "2022-09-04T14:36:10.183584Z",
"structure_string": "Ba4 Mg1 Ga1\n1.0\n-0.000000 5.105393 5.105393\n5.105393 0.000000 5.105393\n5.105393 5.105393 -0.000000\nBa Mg Ga\n4 1 1\ndirect\n0.127063 0.624312 0.624312 Ba\n0.624312 0.624312 0.624312 Ba\n0.624312 0.127063 0.624312 Ba\n0.624312 0.624312 0.127063 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
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"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 4.013926544167238,
"density_atomic": 0.022544142399270935,
"volume": 266.1445218778443,
"volume_molar": 26.712662887521297,
"formula_full": "Ba4 Mg1 Ga1",
"formula_reduced": "Ba4MgGa",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-15998",
"created_at": "2022-09-04T14:36:36.761131Z",
"updated_at": "2022-09-04T14:36:36.761152Z",
"structure_string": "Sr3 Sn1 O1\n1.0\n5.138643 -0.000000 0.000000\n0.000000 5.138643 -0.000000\n-0.000000 0.000000 5.138643\nSr Sn O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "O-Sn-Sr",
"density": 4.865379350970709,
"density_atomic": 0.03684891155162911,
"volume": 135.68921820104472,
"volume_molar": 16.342791432420906,
"formula_full": "Sr3 Sn1 O1",
"formula_reduced": "Sr3SnO",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-99721",
"created_at": "2022-09-04T14:36:31.216508Z",
"updated_at": "2022-09-04T14:36:31.216538Z",
"structure_string": "Na2 Tl1 Ga1 F6\n1.0\n5.463215 -0.000000 3.154189\n1.821072 5.150770 3.154189\n-0.000000 -0.000000 6.308378\nNa Tl Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.785632 0.214368 0.214368 F\n0.214368 0.214368 0.785632 F\n0.214368 0.785632 0.785632 F\n0.214368 0.785632 0.214368 F\n0.785632 0.214368 0.785632 F\n0.785632 0.785632 0.214368 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Tl",
"Ga",
"F"
],
"chemical_system": "F-Ga-Na-Tl",
"density": 4.0604762219384085,
"density_atomic": 0.056332865325973064,
"volume": 177.51626767313323,
"volume_molar": 10.69027951117446,
"formula_full": "Na2 Tl1 Ga1 F6",
"formula_reduced": "Na2TlGaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69222",
"created_at": "2022-09-04T14:36:10.220884Z",
"updated_at": "2022-09-04T14:36:10.220911Z",
"structure_string": "Ba1 Tl2 Cl1\n1.0\n4.085775 0.000000 0.000000\n0.000000 6.013705 0.000000\n0.000000 0.000000 6.035644\nBa Tl Cl\n1 2 1\ndirect\n0.499999 0.500000 0.500000 Ba\n0.000000 0.746453 0.000000 Tl\n0.000000 0.253546 0.000000 Tl\n0.499999 0.000000 0.500000 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
"chemical_system": "Ba-Cl-Tl",
"density": 6.511685780980533,
"density_atomic": 0.026972413472287123,
"volume": 148.29966936810496,
"volume_molar": 22.327037089904707,
"formula_full": "Ba1 Tl2 Cl1",
"formula_reduced": "BaTl2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 47
},
{
"id": "jvasp-94073",
"created_at": "2022-09-04T14:36:10.040882Z",
"updated_at": "2022-09-04T14:36:10.040906Z",
"structure_string": "K1 Mg6 V1\n1.0\n6.534310 0.000333 0.000000\n-3.266868 5.659044 0.000000\n0.000000 0.000000 5.233848\nK Mg V\n1 6 1\ndirect\n0.416681 0.083319 0.750000 K\n0.066454 0.908211 0.250000 Mg\n0.591788 0.433544 0.250000 Mg\n0.591805 0.908193 0.250000 Mg\n0.398564 0.574276 0.750000 Mg\n0.925723 0.101435 0.750000 Mg\n0.925659 0.574340 0.750000 Mg\n0.083322 0.416677 0.250000 V\n",
"nsites": 8,
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"elements": [
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"V"
],
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"density": 2.0236935567168834,
"density_atomic": 0.04133455816002107,
"volume": 193.5426518660027,
"volume_molar": 14.569263657509312,
"formula_full": "K1 Mg6 V1",
"formula_reduced": "KMg6V",
"formula_anonymous": "ABC6",
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"spacegroup": 187
},
{
"id": "jvasp-105642",
"created_at": "2022-09-04T14:36:09.926527Z",
"updated_at": "2022-09-04T14:36:09.926551Z",
"structure_string": "K2 Sc1 Au1 F6\n1.0\n5.446029 -0.000000 3.144267\n1.815343 5.134565 3.144267\n-0.000000 -0.000000 6.288532\nK Sc Au F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.773512 0.226488 0.226488 F\n0.226488 0.226488 0.773512 F\n0.226487 0.773513 0.773512 F\n0.226487 0.773513 0.226488 F\n0.773512 0.226488 0.773512 F\n0.773511 0.773513 0.226489 F\n",
"nsites": 10,
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"density": 4.099354785859716,
"density_atomic": 0.05686789057319537,
"volume": 175.84615675393965,
"volume_molar": 10.589703080772491,
"formula_full": "K2 Sc1 Au1 F6",
"formula_reduced": "K2ScAuF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-71266",
"created_at": "2022-09-04T14:36:09.923245Z",
"updated_at": "2022-09-04T14:36:09.923263Z",
"structure_string": "Na2 Be1 Hg1\n1.0\n3.397199 0.000000 0.000000\n0.000000 3.397199 -0.000000\n-0.000000 0.000000 8.358065\nNa Be Hg\n2 1 1\ndirect\n0.000000 0.000000 0.945488 Na\n0.500000 0.500000 0.301004 Na\n0.000000 0.000000 0.589193 Be\n0.500000 0.500000 0.664314 Hg\n",
"nsites": 4,
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"formula_full": "Na2 Be1 Hg1",
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}
]
}