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{
"id": "jvasp-39895",
"created_at": "2022-09-04T14:37:39.500374Z",
"updated_at": "2022-09-04T14:37:39.500400Z",
"structure_string": "Ac1 Mg1 Cd2\n1.0\n-0.000000 3.815608 3.815608\n3.815608 0.000000 3.815608\n3.815608 3.815608 0.000000\nAc Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Mg\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-23372",
"created_at": "2022-09-04T14:37:35.824314Z",
"updated_at": "2022-09-04T14:37:35.824335Z",
"structure_string": "Ca2 In8 Pd2\n1.0\n4.377666 0.000000 -1.174476\n0.000000 7.606844 -0.000000\n-0.005424 -0.000000 8.725537\nCa In Pd\n2 8 2\ndirect\n0.870550 0.250000 0.741098 Ca\n0.129452 0.750000 0.258902 Ca\n0.682140 0.047332 0.364278 In\n0.317861 0.952668 0.635723 In\n0.317861 0.547331 0.635723 In\n0.682140 0.452668 0.364278 In\n0.063110 0.250000 0.126219 In\n0.936892 0.750000 0.873781 In\n0.500000 0.000000 -0.000000 In\n0.500000 0.500000 -0.000000 In\n0.224992 0.250000 0.449982 Pd\n0.775010 0.750000 0.550019 Pd\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.04130611820071314,
"volume": 290.5138638709658,
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"formula_full": "Ca2 In8 Pd2",
"formula_reduced": "CaIn4Pd",
"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-38211",
"created_at": "2022-09-04T14:37:52.099922Z",
"updated_at": "2022-09-04T14:37:52.099942Z",
"structure_string": "Rb3 Pb1\n1.0\n-0.000000 4.600931 4.600931\n4.600931 0.000000 4.600931\n4.600931 4.600931 0.000000\nRb Pb\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Rb",
"density": 3.9521057194153233,
"density_atomic": 0.020534911477305788,
"volume": 194.79022368421752,
"volume_molar": 29.326353642456095,
"formula_full": "Rb3 Pb1",
"formula_reduced": "Rb3Pb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38338",
"created_at": "2022-09-04T14:37:52.161106Z",
"updated_at": "2022-09-04T14:37:52.161128Z",
"structure_string": "Rb1 Ca3\n1.0\n-2.922372 2.922372 5.594385\n2.922372 -2.922372 5.594385\n2.922372 2.922372 -5.594385\nRb Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.749999 0.250000 0.499999 Ca\n0.250000 0.749999 0.499999 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ca"
],
"chemical_system": "Ca-Rb",
"density": 1.7873263212909927,
"density_atomic": 0.020930357818136718,
"volume": 191.10996738593224,
"volume_molar": 28.77227810592733,
"formula_full": "Rb1 Ca3",
"formula_reduced": "RbCa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-22365",
"created_at": "2022-09-04T14:37:52.032757Z",
"updated_at": "2022-09-04T14:37:52.032784Z",
"structure_string": "Rb2 Cu2 F6\n1.0\n5.096951 -0.124926 -2.759685\n-3.258134 4.787349 -0.276105\n-0.085021 0.124926 5.795477\nRb Cu F\n2 2 6\ndirect\n0.000001 0.750001 0.750000 Rb\n0.000000 0.250000 0.250000 Rb\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000001 Cu\n0.027978 0.263989 0.763989 F\n0.500001 0.763989 0.736011 F\n0.500000 0.236011 0.263988 F\n0.972023 0.736011 0.236010 F\n0.500000 0.750000 0.249999 F\n0.500000 0.250000 0.750000 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Cu-F-Rb",
"density": 4.914014770207665,
"density_atomic": 0.07182425834335034,
"volume": 139.2287262082926,
"volume_molar": 8.384549870618391,
"formula_full": "Rb2 Cu2 F6",
"formula_reduced": "RbCuF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-42106",
"created_at": "2022-09-04T14:37:52.030438Z",
"updated_at": "2022-09-04T14:37:52.030463Z",
"structure_string": "Ca1 Pm1 Hg2\n1.0\n-0.000000 3.761533 3.761533\n3.761533 0.000000 3.761533\n3.761533 3.761533 0.000000\nCa Pm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Pm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Pm",
"Hg"
],
"chemical_system": "Ca-Hg-Pm",
"density": 9.145622161561338,
"density_atomic": 0.03757814751439196,
"volume": 106.44484267001322,
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"formula_full": "Ca1 Pm1 Hg2",
"formula_reduced": "CaPmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40293",
"created_at": "2022-09-04T14:37:52.132302Z",
"updated_at": "2022-09-04T14:37:52.132322Z",
"structure_string": "Ce1 Zn2 Ag1\n1.0\n-0.000001 3.408401 3.408396\n3.408398 -0.000010 3.408405\n3.408399 3.408411 -0.000011\nCe Zn Ag\n1 2 1\ndirect\n0.749999 0.750001 0.750000 Ce\n-0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.249999 0.249999 0.249999 Ag\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ag"
],
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"density": 7.94287788749585,
"density_atomic": 0.050509874224090104,
"volume": 79.19243635915146,
"volume_molar": 11.9226999720538,
"formula_full": "Ce1 Zn2 Ag1",
"formula_reduced": "CeZn2Ag",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38235",
"created_at": "2022-09-04T14:37:52.025298Z",
"updated_at": "2022-09-04T14:37:52.025322Z",
"structure_string": "Rb3 Hg1\n1.0\n6.042232 0.000000 0.000000\n-0.000000 6.042232 0.000000\n-0.000000 0.000000 6.042232\nRb Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.4400664808196924,
"density_atomic": 0.01813292233840859,
"volume": 220.59323507537033,
"volume_molar": 33.21108780819124,
"formula_full": "Rb3 Hg1",
"formula_reduced": "Rb3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-42104",
"created_at": "2022-09-04T14:37:52.021883Z",
"updated_at": "2022-09-04T14:37:52.021904Z",
"structure_string": "Ca1 Pm1 Cd2\n1.0\n0.000000 3.792883 3.792883\n3.792883 0.000000 3.792883\n3.792883 3.792883 -0.000000\nCa Pm Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.749999 0.749999 0.749999 Pm\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.237185804049204,
"density_atomic": 0.03665402378261864,
"volume": 109.12853725753304,
"volume_molar": 16.42968530744421,
"formula_full": "Ca1 Pm1 Cd2",
"formula_reduced": "CaPmCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21974",
"created_at": "2022-09-04T14:37:35.047339Z",
"updated_at": "2022-09-04T14:37:35.047363Z",
"structure_string": "Rb2 Th1 F6\n1.0\n3.423156 -5.929081 0.000000\n3.423156 5.929081 -0.000000\n0.000000 0.000000 3.839451\nRb Th F\n2 1 6\ndirect\n0.333334 0.666668 0.500000 Rb\n0.666668 0.333334 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n0.000000 0.221375 0.500000 F\n0.778626 0.778626 0.500000 F\n0.221375 0.000000 0.500000 F\n0.662507 0.000000 0.000000 F\n0.337494 0.337494 0.000000 F\n0.000000 0.662507 0.000000 F\n",
"nsites": 9,
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],
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"density": 5.508029596995122,
"density_atomic": 0.05774698436597339,
"volume": 155.85229425942327,
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"formula_full": "Rb2 Th1 F6",
"formula_reduced": "Rb2ThF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-39205",
"created_at": "2022-09-04T14:37:52.203957Z",
"updated_at": "2022-09-04T14:37:52.203986Z",
"structure_string": "Ho1 Lu1 Cd2\n1.0\n-0.000000 3.668326 3.668326\n3.668326 -0.000000 3.668326\n3.668326 3.668326 0.000000\nHo Lu Cd\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ho\n0.750001 0.750001 0.750001 Lu\n0.500001 0.500001 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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],
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"density": 9.498345782692919,
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"volume": 98.72650606513551,
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"formula_full": "Ho1 Lu1 Cd2",
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},
{
"id": "jvasp-39872",
"created_at": "2022-09-04T14:37:51.986108Z",
"updated_at": "2022-09-04T14:37:51.986135Z",
"structure_string": "Yb1 Ac1 Zn2\n1.0\n0.000000 3.764693 3.764693\n3.764693 0.000000 3.764693\n3.764693 3.764693 0.000000\nYb Ac Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n",
"nsites": 4,
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}
]
}