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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4073",
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"results": [
{
"id": "jvasp-67104",
"created_at": "2022-09-04T14:35:55.323203Z",
"updated_at": "2022-09-04T14:35:55.323222Z",
"structure_string": "Be1 Cd1 Br1\n1.0\n-1.628432 1.628432 5.808895\n1.628432 -1.628432 5.808895\n1.628432 1.628432 -5.808895\nBe Cd Br\n1 1 1\ndirect\n0.008284 0.008284 0.000000 Be\n0.627505 0.627505 0.000000 Cd\n0.364209 0.364209 0.000000 Br\n",
"nsites": 3,
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],
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"formula_full": "Be1 Cd1 Br1",
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{
"id": "jvasp-74679",
"created_at": "2022-09-04T14:36:12.529380Z",
"updated_at": "2022-09-04T14:36:12.529412Z",
"structure_string": "Be1 Cd1 Bi2\n1.0\n-2.474049 2.474049 4.091171\n2.474049 -2.474049 4.091171\n2.474049 2.474049 -4.091171\nBe Cd Bi\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.250000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"volume": 100.16689629604076,
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"formula_full": "Be1 Cd1 Bi2",
"formula_reduced": "BeCdBi2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-68699",
"created_at": "2022-09-04T14:35:58.285928Z",
"updated_at": "2022-09-04T14:35:58.285960Z",
"structure_string": "Be1 Cd1 Bi1\n1.0\n1.804010 -3.124637 0.000000\n1.804010 3.124637 -0.000000\n0.000000 -0.000000 5.990505\nBe Cd Bi\n1 1 1\ndirect\n0.000000 0.000000 0.006165 Be\n0.666667 0.333333 0.274124 Cd\n0.333333 0.666667 0.719712 Bi\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Be-Bi-Cd",
"density": 8.123850115420717,
"density_atomic": 0.04442110036668355,
"volume": 67.53547244971091,
"volume_molar": 13.556937379508703,
"formula_full": "Be1 Cd1 Bi1",
"formula_reduced": "BeCdBi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.387443383333333,
"spacegroup": 156
},
{
"id": "jvasp-74821",
"created_at": "2022-09-04T14:36:17.522279Z",
"updated_at": "2022-09-04T14:36:17.522306Z",
"structure_string": "Be1 Cd4 Te1\n1.0\n0.000000 4.157019 4.157019\n4.157019 0.000000 4.157019\n4.157019 4.157019 -0.000000\nBe Cd Te\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122946 0.625685 0.625685 Cd\n0.625685 0.625685 0.625685 Cd\n0.625685 0.122946 0.625685 Cd\n0.625685 0.625685 0.122946 Cd\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Te"
],
"chemical_system": "Be-Cd-Te",
"density": 6.775798910011152,
"density_atomic": 0.04176141700282455,
"volume": 143.67328578899006,
"volume_molar": 14.420345841216765,
"formula_full": "Be1 Cd4 Te1",
"formula_reduced": "BeCd4Te",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65161",
"created_at": "2022-09-04T14:36:09.742950Z",
"updated_at": "2022-09-04T14:36:09.742974Z",
"structure_string": "Be1 Cd4 Sn1\n1.0\n-0.000000 4.104004 4.104004\n4.104004 -0.000000 4.104004\n4.104004 4.104004 0.000000\nBe Cd Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123543 0.625485 0.625485 Cd\n0.625485 0.625485 0.625485 Cd\n0.625485 0.123543 0.625485 Cd\n0.625485 0.625485 0.123543 Cd\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Sn"
],
"chemical_system": "Be-Cd-Sn",
"density": 6.935010421404588,
"density_atomic": 0.043400819354741445,
"volume": 138.24623795597796,
"volume_molar": 13.875638408522565,
"formula_full": "Be1 Cd4 Sn1",
"formula_reduced": "BeCd4Sn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65197",
"created_at": "2022-09-04T14:36:01.850329Z",
"updated_at": "2022-09-04T14:36:01.850355Z",
"structure_string": "Be1 Cd4 Se1\n1.0\n0.000000 4.075154 4.075154\n4.075154 -0.000000 4.075154\n4.075154 4.075154 -0.000000\nBe Cd Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123764 0.625412 0.625412 Cd\n0.625412 0.625412 0.625412 Cd\n0.625412 0.123764 0.625412 Cd\n0.625412 0.625412 0.123764 Cd\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Cd",
"Se"
],
"chemical_system": "Be-Cd-Se",
"density": 6.5956766742706545,
"density_atomic": 0.04432912700566699,
"volume": 135.35118792736355,
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"formula_full": "Be1 Cd4 Se1",
"formula_reduced": "BeCd4Se",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65113",
"created_at": "2022-09-04T14:36:02.022627Z",
"updated_at": "2022-09-04T14:36:02.022652Z",
"structure_string": "Be1 Cd4 Rh1\n1.0\n0.000000 3.863659 3.863659\n3.863659 0.000000 3.863659\n3.863659 3.863659 -0.000000\nBe Cd Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125431 0.624856 0.624856 Cd\n0.624856 0.624856 0.624856 Cd\n0.624856 0.125431 0.624856 Cd\n0.624856 0.624856 0.125431 Cd\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 6,
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"elements": [
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"Rh"
],
"chemical_system": "Be-Cd-Rh",
"density": 8.083886363835019,
"density_atomic": 0.052014554925792766,
"volume": 115.35232798896342,
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"formula_full": "Be1 Cd4 Rh1",
"formula_reduced": "BeCd4Rh",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-67660",
"created_at": "2022-09-04T14:35:53.111173Z",
"updated_at": "2022-09-04T14:35:53.111194Z",
"structure_string": "Be1 Cd4 Os1\n1.0\n0.000000 3.844197 3.844197\n3.844197 -0.000000 3.844197\n3.844197 3.844197 0.000000\nBe Cd Os\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125834 0.624723 0.624723 Cd\n0.624723 0.624723 0.624723 Cd\n0.624723 0.125834 0.624723 Cd\n0.624723 0.624723 0.125834 Cd\n0.250000 0.250000 0.250000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Os"
],
"chemical_system": "Be-Cd-Os",
"density": 9.483545264713413,
"density_atomic": 0.05280856281911585,
"volume": 113.61793769225805,
"volume_molar": 11.403720227394793,
"formula_full": "Be1 Cd4 Os1",
"formula_reduced": "BeCd4Os",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1906900166666665,
"spacegroup": 216
},
{
"id": "jvasp-65156",
"created_at": "2022-09-04T14:35:58.999955Z",
"updated_at": "2022-09-04T14:35:58.999970Z",
"structure_string": "Be1 Cd4 Ni1\n1.0\n0.000000 3.882540 3.882540\n3.882540 -0.000000 3.882540\n3.882540 3.882540 0.000000\nBe Cd Ni\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125468 0.624844 0.624844 Cd\n0.624844 0.624844 0.624844 Cd\n0.624844 0.125468 0.624844 Cd\n0.624844 0.624844 0.125468 Cd\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 6,
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"elements": [
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"Cd",
"Ni"
],
"chemical_system": "Be-Cd-Ni",
"density": 7.339312638143152,
"density_atomic": 0.051259390564833605,
"volume": 117.05172328202214,
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"formula_full": "Be1 Cd4 Ni1",
"formula_reduced": "BeCd4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-65273",
"created_at": "2022-09-04T14:36:00.559000Z",
"updated_at": "2022-09-04T14:36:00.559026Z",
"structure_string": "Be1 Cd4 Mo1\n1.0\n0.000000 3.922378 3.922378\n3.922378 -0.000000 3.922378\n3.922378 3.922378 0.000000\nBe Cd Mo\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125375 0.624876 0.624876 Cd\n0.624876 0.624876 0.624876 Cd\n0.624876 0.125375 0.624876 Cd\n0.624876 0.624876 0.125375 Cd\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
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"elements": [
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"Cd",
"Mo"
],
"chemical_system": "Be-Cd-Mo",
"density": 7.630405957654508,
"density_atomic": 0.04971333763940466,
"volume": 120.69195682496633,
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"formula_full": "Be1 Cd4 Mo1",
"formula_reduced": "BeCd4Mo",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1847618333333327,
"spacegroup": 216
},
{
"id": "jvasp-67637",
"created_at": "2022-09-04T14:35:49.968921Z",
"updated_at": "2022-09-04T14:35:49.968948Z",
"structure_string": "Be1 Cd4 In1\n1.0\n-0.000000 4.105372 4.105372\n4.105372 0.000000 4.105372\n4.105372 4.105372 -0.000000\nBe Cd In\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123625 0.625458 0.625458 Cd\n0.625458 0.625458 0.625458 Cd\n0.625458 0.123625 0.625458 Cd\n0.625458 0.625458 0.123625 Cd\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
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"elements": [
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],
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"density": 6.881378156147416,
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"volume": 138.38453014630088,
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"formula_full": "Be1 Cd4 In1",
"formula_reduced": "BeCd4In",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64882",
"created_at": "2022-09-04T14:36:04.203851Z",
"updated_at": "2022-09-04T14:36:04.203872Z",
"structure_string": "Be1 Cd4 Ga1\n1.0\n-0.000000 4.049537 4.049537\n4.049537 -0.000000 4.049537\n4.049537 4.049537 0.000000\nBe Cd Ga\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625241 0.124279 0.625241 Cd\n0.124279 0.625241 0.625241 Cd\n0.625241 0.625241 0.625241 Cd\n0.625241 0.625241 0.124279 Cd\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
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],
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"density": 6.6061538815677805,
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"volume": 132.8146890639682,
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"formula_full": "Be1 Cd4 Ga1",
"formula_reduced": "BeCd4Ga",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}