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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4485",
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"results": [
{
"id": "jvasp-80762",
"created_at": "2022-09-04T14:37:06.066299Z",
"updated_at": "2022-09-04T14:37:06.066326Z",
"structure_string": "Mg2 Hg1 Pb1\n1.0\n-11.457151 2.480397 -2.564892\n-8.349989 1.444979 1.078537\n-7.328116 4.335425 -0.691569\nMg Hg Pb\n2 1 1\ndirect\n0.715038 0.029439 0.029443 Mg\n0.284962 -0.029439 -0.029441 Mg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000001 Pb\n",
"nsites": 4,
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"volume": 96.78582333290551,
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{
"id": "jvasp-12521",
"created_at": "2022-09-04T14:37:06.060270Z",
"updated_at": "2022-09-04T14:37:06.060297Z",
"structure_string": "Hg8 Cl4 O4\n1.0\n6.027899 0.000000 0.000000\n-3.013949 5.842823 -1.610186\n0.000000 0.044483 9.652417\nHg Cl O\n8 4 4\ndirect\n0.143076 0.895503 0.603756 Hg\n0.247572 0.104496 0.896244 Hg\n0.856924 0.104496 0.396244 Hg\n0.752427 0.895503 0.103756 Hg\n0.592991 -0.000000 0.750000 Hg\n0.407009 -0.000000 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.487238 0.389666 0.145673 Cl\n0.097572 0.610334 0.354327 Cl\n0.512761 0.610333 0.854327 Cl\n0.902427 0.389665 0.645673 Cl\n0.254095 0.156910 0.439734 O\n0.097184 0.843089 0.060265 O\n0.745905 0.843089 0.560265 O\n0.902816 0.156910 0.939734 O\n",
"nsites": 16,
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"elements": [
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"O"
],
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"volume": 340.38936809298514,
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"formula_full": "Hg8 Cl4 O4",
"formula_reduced": "Hg2ClO",
"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-81475",
"created_at": "2022-09-04T14:37:11.398273Z",
"updated_at": "2022-09-04T14:37:11.398291Z",
"structure_string": "Ba1 Mg1 Hg2\n1.0\n-10.802033 0.000001 -6.236557\n-7.170864 0.211441 -0.052813\n-6.090639 3.266777 -1.923817\nBa Mg Hg\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Mg\n0.776707 -0.000001 -0.000000 Hg\n0.223293 -0.000000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Ba-Hg-Mg",
"density": 6.647306613007373,
"density_atomic": 0.028450719680634468,
"volume": 140.59398303104007,
"volume_molar": 21.166918895549372,
"formula_full": "Ba1 Mg1 Hg2",
"formula_reduced": "BaMgHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-8793",
"created_at": "2022-09-04T14:37:07.302964Z",
"updated_at": "2022-09-04T14:37:07.302983Z",
"structure_string": "K4 Na2 As2\n1.0\n2.663049 -4.612536 0.000000\n2.663049 4.612536 0.000000\n-0.000000 0.000000 10.459755\nK Na As\n4 2 2\ndirect\n0.333333 0.666667 0.084910 K\n0.333333 0.666667 0.415090 K\n0.666667 0.333333 0.584909 K\n0.666667 0.333333 0.915090 K\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Na",
"As"
],
"chemical_system": "As-K-Na",
"density": 2.2760807632259,
"density_atomic": 0.03113289829654075,
"volume": 256.96290540636556,
"volume_molar": 19.343334830696236,
"formula_full": "K4 Na2 As2",
"formula_reduced": "K2NaAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-36895",
"created_at": "2022-09-04T14:37:16.080609Z",
"updated_at": "2022-09-04T14:37:16.080629Z",
"structure_string": "Rb1 Ag1 Cl3\n1.0\n5.088529 -0.002154 -0.001077\n0.001792 5.088642 -0.003277\n0.000875 0.002347 5.088713\nRb Ag Cl\n1 1 3\ndirect\n0.999999 0.998036 0.011850 Rb\n0.500005 0.497987 0.512046 Ag\n-0.000003 0.498074 0.511998 Cl\n0.500042 0.497912 0.012046 Cl\n0.499959 0.997994 0.512054 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb",
"density": 3.7768198989154356,
"density_atomic": 0.03794614702330327,
"volume": 131.76568353380986,
"volume_molar": 15.870229871564344,
"formula_full": "Rb1 Ag1 Cl3",
"formula_reduced": "RbAgCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-18927",
"created_at": "2022-09-04T14:37:11.506583Z",
"updated_at": "2022-09-04T14:37:11.506605Z",
"structure_string": "Yb2 Zn4\n1.0\n4.136419 -0.000000 1.795854\n1.979433 5.166275 1.102408\n0.008971 0.053574 5.641002\nYb Zn\n2 4\ndirect\n0.546072 0.703928 0.203928 Yb\n0.453928 0.296071 0.796071 Yb\n0.835293 0.719779 0.609634 Zn\n0.164707 0.280219 0.390365 Zn\n0.835293 0.109634 0.219780 Zn\n0.164707 0.890364 0.780220 Zn\n",
"nsites": 6,
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"elements": [
"Yb",
"Zn"
],
"chemical_system": "Yb-Zn",
"density": 8.380803001029248,
"density_atomic": 0.0498295671380744,
"volume": 120.41043791077698,
"volume_molar": 12.085476767865655,
"formula_full": "Yb2 Zn4",
"formula_reduced": "YbZn2",
"formula_anonymous": "AB2",
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"spacegroup": 74
},
{
"id": "jvasp-79030",
"created_at": "2022-09-04T14:37:11.518030Z",
"updated_at": "2022-09-04T14:37:11.518049Z",
"structure_string": "Rb1 Na3\n1.0\n-3.212462 3.212462 4.591815\n3.212462 -3.212462 4.591815\n3.212462 3.212462 -4.591815\nRb Na\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500001 Na\n0.250000 0.750000 0.500001 Na\n0.499999 0.499999 0.000000 Na\n",
"nsites": 4,
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"elements": [
"Rb",
"Na"
],
"chemical_system": "Na-Rb",
"density": 1.3529457583171647,
"density_atomic": 0.021102777471040612,
"volume": 189.54850874436832,
"volume_molar": 28.537195012666924,
"formula_full": "Rb1 Na3",
"formula_reduced": "RbNa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-80248",
"created_at": "2022-09-04T14:37:16.187015Z",
"updated_at": "2022-09-04T14:37:16.187041Z",
"structure_string": "Mg1 Cd1 Hg2\n1.0\n-10.356514 -0.013557 -5.968267\n-6.746892 0.235082 -0.272793\n-5.811907 2.865864 -1.881002\nMg Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 -0.000000 Cd\n0.756370 -0.000143 0.000142 Hg\n0.243631 0.000142 -0.000142 Hg\n",
"nsites": 4,
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"elements": [
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"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Mg",
"density": 8.598383103236104,
"density_atomic": 0.03850608546930093,
"volume": 103.87968424339083,
"volume_molar": 15.639452015451344,
"formula_full": "Mg1 Cd1 Hg2",
"formula_reduced": "MgCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-79382",
"created_at": "2022-09-04T14:37:16.232932Z",
"updated_at": "2022-09-04T14:37:16.232957Z",
"structure_string": "Yb1 Tm1 Hg2\n1.0\n0.000000 3.660716 3.660716\n3.660716 -0.000000 3.660716\n3.660716 3.660716 0.000000\nYb Tm Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 Hg\n0.500002 0.500002 0.500002 Hg\n",
"nsites": 4,
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"elements": [
"Yb",
"Tm",
"Hg"
],
"chemical_system": "Hg-Tm-Yb",
"density": 12.577662353810965,
"density_atomic": 0.04076917126128006,
"volume": 98.11335075625986,
"volume_molar": 14.771310217236234,
"formula_full": "Yb1 Tm1 Hg2",
"formula_reduced": "YbTmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104502",
"created_at": "2022-09-04T14:37:06.272291Z",
"updated_at": "2022-09-04T14:37:06.272328Z",
"structure_string": "K2 Na1 Ce1 Cl6\n1.0\n6.588984 -0.000000 3.804151\n2.196328 6.212153 3.804151\n-0.000000 -0.000000 7.608303\nK Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.747227 0.252772 0.252773 Cl\n0.252773 0.252772 0.747227 Cl\n0.252773 0.747227 0.747227 Cl\n0.252773 0.747227 0.252772 Cl\n0.747227 0.252772 0.747227 Cl\n0.747227 0.747227 0.252772 Cl\n",
"nsites": 10,
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"elements": [
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"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-K-Na",
"density": 2.4208954745711795,
"density_atomic": 0.0321108353382308,
"volume": 311.42135963352257,
"volume_molar": 18.75423263383655,
"formula_full": "K2 Na1 Ce1 Cl6",
"formula_reduced": "K2NaCeCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-104521",
"created_at": "2022-09-04T14:37:11.502408Z",
"updated_at": "2022-09-04T14:37:11.502438Z",
"structure_string": "Rb2 Sc1 Au1 Br6\n1.0\n6.687103 0.000000 3.860800\n2.229034 6.304661 3.860800\n-0.000000 -0.000000 7.721601\nRb Sc Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.757546 0.242454 0.242454 Br\n0.242454 0.242454 0.757546 Br\n0.242453 0.757546 0.757546 Br\n0.242453 0.757546 0.242454 Br\n0.757546 0.242454 0.757546 Br\n0.757545 0.757546 0.242454 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Au-Br-Rb-Sc",
"density": 4.551391145119641,
"density_atomic": 0.03071799683400801,
"volume": 325.54206102817756,
"volume_molar": 19.604601148121958,
"formula_full": "Rb2 Sc1 Au1 Br6",
"formula_reduced": "Rb2ScAuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-9709",
"created_at": "2022-09-04T14:37:16.104445Z",
"updated_at": "2022-09-04T14:37:16.104472Z",
"structure_string": "K2 Au2 F8\n1.0\n5.465359 -0.000000 -2.545646\n-1.185707 5.335189 -2.545646\n-0.011315 -0.014105 7.115438\nK Au F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.750000 0.750000 0.499999 K\n-0.000000 0.500000 -0.000000 Au\n0.500000 -0.000000 -0.000000 Au\n0.956540 0.456540 0.240433 F\n0.716107 0.216106 0.759566 F\n0.043460 0.543459 0.759566 F\n0.216107 0.043459 0.759566 F\n0.283893 0.783893 0.240433 F\n0.456540 0.283893 0.240434 F\n0.783893 0.956540 0.240433 F\n0.543460 0.716106 0.759566 F\n",
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],
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"volume": 207.08459709849754,
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"formula_full": "K2 Au2 F8",
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}
]
}