HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1028",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=1026",
"results": [
{
"id": "jvasp-88740",
"created_at": "2022-09-04T14:36:03.130209Z",
"updated_at": "2022-09-04T14:36:03.130235Z",
"structure_string": "Na12 Fe2 Se8\n1.0\n9.284241 0.000000 -0.000000\n-4.642121 8.040389 0.000000\n0.000000 0.000000 7.159764\nNa Fe Se\n12 2 8\ndirect\n0.147211 0.852789 0.541681 Na\n0.470833 0.529168 0.869715 Na\n0.529167 0.058334 0.369716 Na\n0.470833 0.941666 0.869715 Na\n0.058334 0.529168 0.869715 Na\n0.529167 0.470833 0.369716 Na\n0.941666 0.470833 0.369716 Na\n0.705578 0.852789 0.541681 Na\n0.147211 0.294422 0.541681 Na\n0.852789 0.705578 0.041682 Na\n0.294422 0.147211 0.041682 Na\n0.852789 0.147211 0.041682 Na\n0.333333 0.666667 0.252934 Fe\n0.666667 0.333333 0.752933 Fe\n0.625348 0.812674 0.144190 Se\n0.333333 0.666667 0.598503 Se\n0.666667 0.333333 0.098503 Se\n0.187326 0.812674 0.144190 Se\n0.374652 0.187326 0.644190 Se\n0.812674 0.625348 0.644190 Se\n0.187326 0.374652 0.144190 Se\n0.812674 0.187326 0.644190 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Fe",
"Se"
],
"chemical_system": "Fe-Na-Se",
"density": 3.16669666344058,
"density_atomic": 0.04116238282220609,
"volume": 534.4685727992293,
"volume_molar": 14.630204441787571,
"formula_full": "Na12 Fe2 Se8",
"formula_reduced": "Na6FeSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4365684515151517,
"spacegroup": 186
},
{
"id": "jvasp-80170",
"created_at": "2022-09-04T14:37:06.215147Z",
"updated_at": "2022-09-04T14:37:06.215163Z",
"structure_string": "Li1 Ca1 Au2\n1.0\n-9.179220 0.000055 -5.299535\n-9.713286 -0.020738 6.224550\n-6.287758 9.668124 0.291358\nLi Ca Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Ca\n0.759210 0.000000 0.000001 Au\n0.240789 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Au"
],
"chemical_system": "Au-Ca-Li",
"density": 0.6968047011732563,
"density_atomic": 0.0038065410120725826,
"volume": 1050.8227777695959,
"volume_molar": 158.20506703856762,
"formula_full": "Li1 Ca1 Au2",
"formula_reduced": "LiCaAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.43657389,
"spacegroup": 71
},
{
"id": "jvasp-94277",
"created_at": "2022-09-04T14:36:33.476407Z",
"updated_at": "2022-09-04T14:36:33.476428Z",
"structure_string": "Mg2 Cd4\n1.0\n5.906865 0.000000 0.000000\n-0.000000 5.906865 0.000000\n0.000000 0.000000 5.185022\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.328520 0.328520 0.000000 Cd\n0.671479 0.671479 0.000000 Cd\n0.828520 0.171479 0.500000 Cd\n0.171479 0.828520 0.500000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.573357982613013,
"density_atomic": 0.03316550055997493,
"volume": 180.91088325803744,
"volume_molar": 18.157846733263817,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4365813725490195,
"spacegroup": 136
},
{
"id": "jvasp-94407",
"created_at": "2022-09-04T14:36:16.118595Z",
"updated_at": "2022-09-04T14:36:16.118616Z",
"structure_string": "Mg4 Sb2\n1.0\n6.443522 0.000000 0.000000\n-3.221760 5.580254 -0.000000\n0.000000 0.000000 4.252987\nMg Sb\n4 2\ndirect\n-0.000000 0.353759 0.000000 Mg\n0.646241 0.646241 -0.000000 Mg\n0.353759 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666666 0.500000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.699992793626819,
"density_atomic": 0.039235565102846405,
"volume": 152.92248204588037,
"volume_molar": 15.348678537481073,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4365847857142859,
"spacegroup": 189
},
{
"id": "jvasp-48544",
"created_at": "2022-09-04T14:36:55.331668Z",
"updated_at": "2022-09-04T14:36:55.331686Z",
"structure_string": "Li2 V1 F4\n1.0\n5.156880 0.041755 0.000000\n1.912138 4.789456 0.000000\n0.000000 0.000000 3.083262\nLi V F\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.240609 0.240609 0.000000 F\n0.237757 0.762244 0.500000 F\n0.762243 0.237758 0.500000 F\n0.759391 0.759392 0.000000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0805415573219257,
"density_atomic": 0.09221903615924203,
"volume": 75.90623684151868,
"volume_molar": 6.53025775459319,
"formula_full": "Li2 V1 F4",
"formula_reduced": "Li2VF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4366993328571428,
"spacegroup": 65
},
{
"id": "jvasp-102253",
"created_at": "2022-09-04T14:36:46.569115Z",
"updated_at": "2022-09-04T14:36:46.569138Z",
"structure_string": "Li2 V1 F4\n1.0\n5.155782 -0.022462 0.000000\n-1.929246 4.781277 0.000000\n0.000000 0.000000 3.082211\nLi V F\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.759343 0.240658 0.000000 F\n0.237856 0.237856 0.500000 F\n0.762143 0.762145 0.500000 F\n0.240657 0.759344 0.000000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0829596467725735,
"density_atomic": 0.09229142404115699,
"volume": 75.84670052201577,
"volume_molar": 6.525135810359205,
"formula_full": "Li2 V1 F4",
"formula_reduced": "Li2VF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4367021899999999,
"spacegroup": 65
},
{
"id": "jvasp-98821",
"created_at": "2022-09-04T14:36:01.349966Z",
"updated_at": "2022-09-04T14:36:01.349977Z",
"structure_string": "Si8 Br32\n1.0\n10.945056 -0.000000 0.000000\n-0.000000 10.945056 0.000000\n-0.000000 -0.000000 10.945056\nSi Br\n8 32\ndirect\n0.370029 0.629972 0.129972 Si\n0.129972 0.129972 0.129972 Si\n0.870029 0.870029 0.870029 Si\n0.129972 0.370029 0.629972 Si\n0.629972 0.129972 0.370029 Si\n0.870029 0.629972 0.370029 Si\n0.370029 0.870029 0.629972 Si\n0.629972 0.370029 0.870029 Si\n0.246860 0.253140 0.746860 Br\n0.008242 0.252563 0.517763 Br\n0.752563 0.517763 0.491758 Br\n0.982238 0.991759 0.752563 Br\n0.008242 0.247438 0.017763 Br\n0.747438 0.017763 0.491758 Br\n0.491758 0.752563 0.517763 Br\n0.482237 0.991759 0.747438 Br\n0.753140 0.746860 0.253140 Br\n0.246860 0.246860 0.246860 Br\n0.253140 0.746860 0.246860 Br\n0.753140 0.753140 0.753140 Br\n0.991759 0.752563 0.982238 Br\n0.247438 0.017763 0.008242 Br\n0.247438 0.482237 0.508242 Br\n0.982238 0.508242 0.252563 Br\n0.252563 0.982238 0.508242 Br\n0.991759 0.747438 0.482237 Br\n0.252563 0.517763 0.008242 Br\n0.517763 0.491758 0.752563 Br\n0.482237 0.508242 0.247438 Br\n0.017763 0.491758 0.747438 Br\n0.508242 0.252563 0.982238 Br\n0.746860 0.253140 0.753140 Br\n0.746860 0.246860 0.253140 Br\n0.017763 0.008242 0.247438 Br\n0.752563 0.982238 0.991759 Br\n0.508242 0.247438 0.482237 Br\n0.747438 0.482237 0.991759 Br\n0.253140 0.753140 0.746860 Br\n0.517763 0.008242 0.252563 Br\n0.491758 0.747438 0.017763 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Si",
"Br"
],
"chemical_system": "Br-Si",
"density": 3.522829989748764,
"density_atomic": 0.030507458379023182,
"volume": 1311.1547839561704,
"volume_molar": 19.739896667828614,
"formula_full": "Si8 Br32",
"formula_reduced": "SiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4367210039999999,
"spacegroup": 205
},
{
"id": "jvasp-81639",
"created_at": "2022-09-04T14:37:18.363777Z",
"updated_at": "2022-09-04T14:37:18.363802Z",
"structure_string": "Li2 Sn1 Pb1\n1.0\n-11.691838 2.751610 -2.256927\n-8.308312 0.662567 0.984480\n-6.951735 4.499544 -1.365179\nLi Sn Pb\n2 1 1\ndirect\n0.750031 -0.000059 -0.000059 Li\n0.249970 0.000058 0.000058 Li\n0.000000 0.000000 0.000000 Sn\n0.500001 -0.000001 -0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Pb"
],
"chemical_system": "Li-Pb-Sn",
"density": 6.537913843656253,
"density_atomic": 0.04634863381934454,
"volume": 86.30243591625606,
"volume_molar": 12.993135425464338,
"formula_full": "Li2 Sn1 Pb1",
"formula_reduced": "Li2SnPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.43676563,
"spacegroup": 139
},
{
"id": "jvasp-42060",
"created_at": "2022-09-04T14:38:34.913676Z",
"updated_at": "2022-09-04T14:38:34.913704Z",
"structure_string": "Er4 Ga16 Co3\n1.0\n5.988724 -0.000000 0.000000\n0.000000 5.988724 0.000000\n0.000000 -0.000000 11.043707\nEr Ga Co\n4 16 3\ndirect\n0.000000 0.500000 0.195265 Er\n0.000000 0.500000 0.804735 Er\n0.500000 0.000000 0.804735 Er\n0.500000 0.000000 0.195265 Er\n0.750266 0.249733 0.383818 Ga\n0.249733 0.750266 0.383818 Ga\n0.249733 0.249733 0.616182 Ga\n0.750266 0.750266 0.616182 Ga\n0.750266 0.249733 0.616182 Ga\n0.249733 0.750266 0.616182 Ga\n0.750266 0.750266 0.383818 Ga\n0.249733 0.249733 0.383818 Ga\n0.719559 0.280441 0.000000 Ga\n0.280441 0.719559 0.000000 Ga\n0.719559 0.719559 0.000000 Ga\n0.280441 0.280441 0.000000 Ga\n0.500000 0.500000 0.804645 Ga\n0.500000 0.500000 0.195355 Ga\n0.000000 0.000000 0.781940 Ga\n0.000000 0.000000 0.218060 Ga\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Er",
"Ga",
"Co"
],
"chemical_system": "Co-Er-Ga",
"density": 8.223043535753114,
"density_atomic": 0.05806900216793526,
"volume": 396.0805101056174,
"volume_molar": 10.370663409341871,
"formula_full": "Er4 Ga16 Co3",
"formula_reduced": "Er4Ga16Co3",
"formula_anonymous": "A3B4C16",
"energy_above_hull": 0.4369882565217393,
"spacegroup": 123
},
{
"id": "jvasp-94411",
"created_at": "2022-09-04T14:36:22.185972Z",
"updated_at": "2022-09-04T14:36:22.186001Z",
"structure_string": "Li4 Mg2\n1.0\n5.296828 -0.000000 -0.000000\n-2.648414 4.587187 -0.000000\n-0.000000 -0.000000 5.042715\nLi Mg\n4 2\ndirect\n0.665162 0.000000 0.000000 Li\n0.334839 0.334838 0.000000 Li\n0.000001 0.665162 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666668 0.333333 0.500000 Mg\n0.333334 0.666667 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.0350656474265174,
"density_atomic": 0.0489693693675632,
"volume": 122.52557215846724,
"volume_molar": 12.29777070396378,
"formula_full": "Li4 Mg2",
"formula_reduced": "Li2Mg",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4370019047619048,
"spacegroup": 189
},
{
"id": "jvasp-30292",
"created_at": "2022-09-04T14:37:58.384108Z",
"updated_at": "2022-09-04T14:37:58.384117Z",
"structure_string": "Mn2 F6\n1.0\n2.517028 4.360647 0.000244\n-2.517028 4.360647 -0.000244\n0.004463 0.000000 4.518312\nMn F\n2 6\ndirect\n0.666677 0.666700 0.499997 Mn\n0.333301 0.333324 0.499997 Mn\n0.636862 0.999788 0.277306 F\n0.000213 0.363139 0.277306 F\n0.363573 0.636428 0.277462 F\n0.636406 0.363595 0.722533 F\n0.999765 0.636884 0.722688 F\n0.363117 0.000236 0.722688 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.747943849630519,
"density_atomic": 0.08065751509328915,
"volume": 99.1848061615478,
"volume_molar": 7.466310799476952,
"formula_full": "Mn2 F6",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4370520222198275,
"spacegroup": 162
},
{
"id": "jvasp-113259",
"created_at": "2022-09-04T14:38:47.727515Z",
"updated_at": "2022-09-04T14:38:47.727547Z",
"structure_string": "Li6 Ni4 O2 F10\n1.0\n9.004689 -0.002168 3.375038\n7.745048 4.587331 1.677763\n0.003062 -0.011155 5.052802\nLi Ni O F\n6 4 2 10\ndirect\n0.571477 0.571478 0.928522 Li\n0.165977 0.165979 0.834022 Li\n0.928523 0.928522 0.571477 Li\n0.500000 0.500000 0.500000 Li\n0.834023 0.834022 0.165977 Li\n0.250000 0.250000 0.250000 Li\n0.672880 0.672880 0.327119 Ni\n0.000000 0.000000 0.000000 Ni\n0.327120 0.327120 0.672880 Ni\n0.750000 0.750000 0.749999 Ni\n0.510253 0.989747 0.510252 O\n0.989747 0.510253 0.989747 O\n0.354477 0.811635 0.678853 F\n0.920001 0.415433 0.582177 F\n0.415434 0.920000 0.082388 F\n0.678853 0.155035 0.354477 F\n0.242694 0.757307 0.242693 F\n0.811635 0.354477 0.155035 F\n0.155034 0.678854 0.811634 F\n0.757306 0.242694 0.757307 F\n0.582177 0.082389 0.920001 F\n0.082389 0.582178 0.415433 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 3.9668557147046553,
"density_atomic": 0.10544836124113892,
"volume": 208.63292459984734,
"volume_molar": 5.710985632321579,
"formula_full": "Li6 Ni4 O2 F10",
"formula_reduced": "Li3Ni2OF5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 0.4372099738636365,
"spacegroup": 22
}
]
}