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=689",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=687",
"results": [
{
"id": "jvasp-66581",
"created_at": "2022-09-04T14:36:01.911002Z",
"updated_at": "2022-09-04T14:36:01.911033Z",
"structure_string": "Ba1 In1 Sb1\n1.0\n0.000000 3.961210 3.961210\n3.961210 0.000000 3.961210\n3.961210 3.961210 0.000000\nBa In Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"Sb"
],
"chemical_system": "Ba-In-Sb",
"density": 4.9945547051726535,
"density_atomic": 0.024132796949865046,
"volume": 124.31215520655911,
"volume_molar": 24.95417656109553,
"formula_full": "Ba1 In1 Sb1",
"formula_reduced": "BaInSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1561406777777777,
"spacegroup": 216
},
{
"id": "jvasp-15705",
"created_at": "2022-09-04T14:35:58.680839Z",
"updated_at": "2022-09-04T14:35:58.680857Z",
"structure_string": "Sr2 Ag2 As2\n1.0\n2.279620 -3.948417 -0.000000\n2.279620 3.948417 0.000000\n-0.000000 -0.000000 8.340817\nSr Ag As\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.750000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"As"
],
"chemical_system": "Ag-As-Sr",
"density": 5.981050371683041,
"density_atomic": 0.0399601574092798,
"volume": 150.14955868533795,
"volume_molar": 15.070362957583095,
"formula_full": "Sr2 Ag2 As2",
"formula_reduced": "SrAgAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1562017733333335,
"spacegroup": 194
},
{
"id": "jvasp-109174",
"created_at": "2022-09-04T14:38:27.669731Z",
"updated_at": "2022-09-04T14:38:27.669740Z",
"structure_string": "K2 Ba1 Sn1 Te4\n1.0\n6.883210 0.023392 -2.400955\n-3.465888 5.946995 -2.400955\n-0.013389 -0.023392 7.289924\nK Ba Sn Te\n2 1 1 4\ndirect\n0.500000 -0.000000 0.499999 K\n-0.000000 0.500000 0.499999 K\n0.500000 0.499999 -0.000001 Ba\n0.000000 0.000000 0.000000 Sn\n0.388505 0.388505 0.389859 Te\n-0.001354 -0.001354 0.610140 Te\n0.611494 0.001354 -0.000000 Te\n0.001354 0.611494 -0.000001 Te\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"Ba",
"Sn",
"Te"
],
"chemical_system": "Ba-K-Sn-Te",
"density": 4.70293341463756,
"density_atomic": 0.02682510098356705,
"volume": 298.22814105716765,
"volume_molar": 22.44964805049249,
"formula_full": "K2 Ba1 Sn1 Te4",
"formula_reduced": "K2BaSnTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1564080920833333,
"spacegroup": 121
},
{
"id": "jvasp-40283",
"created_at": "2022-09-04T14:37:47.611678Z",
"updated_at": "2022-09-04T14:37:47.611697Z",
"structure_string": "Sr1 Li2 Pb1\n1.0\n-0.000000 3.601765 3.601765\n3.601765 -0.000000 3.601765\n3.601765 3.601765 -0.000000\nSr Li Pb\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.249999 0.249999 0.249999 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Pb"
],
"chemical_system": "Li-Pb-Sr",
"density": 5.485452066389429,
"density_atomic": 0.042803952663015996,
"volume": 93.44931369985675,
"volume_molar": 14.069123025648343,
"formula_full": "Sr1 Li2 Pb1",
"formula_reduced": "SrLi2Pb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1564417825,
"spacegroup": 225
},
{
"id": "jvasp-116590",
"created_at": "2022-09-04T14:38:42.293935Z",
"updated_at": "2022-09-04T14:38:42.293961Z",
"structure_string": "Sr2 Li2 Cr2 F12\n1.0\n5.182048 -0.000000 0.000000\n-2.591024 4.487785 0.000000\n-0.000000 -0.000000 10.421408\nSr Li Cr F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666667 0.750000 Li\n0.666667 0.333334 0.250000 Li\n0.666667 0.333334 0.750000 Cr\n0.333334 0.666667 0.250000 Cr\n0.015061 0.639870 0.145092 F\n0.624810 0.639870 0.354908 F\n0.984941 0.360132 0.854908 F\n0.375192 0.360132 0.645092 F\n0.360132 0.375192 0.145092 F\n0.984941 0.624809 0.645092 F\n0.639870 0.624809 0.854908 F\n0.375192 0.015060 0.854908 F\n0.360133 0.984941 0.354908 F\n0.639869 0.015060 0.645092 F\n0.015061 0.375192 0.354908 F\n0.624810 0.984941 0.145092 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Cr",
"F"
],
"chemical_system": "Cr-F-Li-Sr",
"density": 3.570311941718632,
"density_atomic": 0.07426986458833994,
"volume": 242.359402427481,
"volume_molar": 8.108457977376535,
"formula_full": "Sr2 Li2 Cr2 F12",
"formula_reduced": "SrLiCrF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.1564828227777781,
"spacegroup": 163
},
{
"id": "jvasp-121102",
"created_at": "2022-09-04T14:38:53.813697Z",
"updated_at": "2022-09-04T14:38:53.813734Z",
"structure_string": "Rb1 Zn1 H1\n1.0\n4.160893 0.000000 0.000000\n0.000000 4.160893 -0.000000\n0.000000 -0.000000 7.704624\nRb Zn H\n1 1 1\ndirect\n0.000000 0.000000 -0.079639 Rb\n0.000000 0.000000 0.480304 Zn\n0.000000 0.000000 0.257578 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"H"
],
"chemical_system": "H-Rb-Zn",
"density": 1.8907699646168044,
"density_atomic": 0.022490375680211602,
"volume": 133.3903907456549,
"volume_molar": 26.77652363672451,
"formula_full": "Rb1 Zn1 H1",
"formula_reduced": "RbZnH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1565534666666669,
"spacegroup": 99
},
{
"id": "jvasp-100290",
"created_at": "2022-09-04T14:36:48.796399Z",
"updated_at": "2022-09-04T14:36:48.796421Z",
"structure_string": "Li1 Ca2 Ge1\n1.0\n4.457366 -0.000000 2.573461\n1.485789 4.202445 2.573461\n0.000000 0.000000 5.146923\nLi Ca Ge\n1 2 1\ndirect\n0.500000 0.500001 0.499999 Li\n0.250000 0.250000 0.249999 Ca\n0.750001 0.750001 0.749998 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge-Li",
"density": 2.751228209469727,
"density_atomic": 0.041488906254743996,
"volume": 96.4113147606205,
"volume_molar": 14.515062708628058,
"formula_full": "Li1 Ca2 Ge1",
"formula_reduced": "LiCa2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1567343250000001,
"spacegroup": 225
},
{
"id": "jvasp-22127",
"created_at": "2022-09-04T14:38:17.813422Z",
"updated_at": "2022-09-04T14:38:17.813441Z",
"structure_string": "Na1 Zr2 Zn1 F11\n1.0\n5.325843 0.013108 2.019990\n1.014824 5.228280 2.019990\n0.001701 0.001406 7.829418\nNa Zr Zn F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.506284 0.506286 0.764143 Zr\n0.493714 0.493716 0.235858 Zr\n-0.000000 0.000000 0.500000 Zn\n0.813829 0.222529 0.687457 F\n0.777471 0.186171 0.312543 F\n0.186170 0.777472 0.312543 F\n0.222527 0.813830 0.687457 F\n0.499999 0.500001 0.500000 F\n0.328040 0.671960 0.000000 F\n0.671959 0.328041 0.000000 F\n0.246249 0.246249 0.347865 F\n0.753750 0.753752 0.652135 F\n0.266767 0.266769 0.891484 F\n0.733231 0.733233 0.108516 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Zn",
"F"
],
"chemical_system": "F-Na-Zn-Zr",
"density": 3.6570149962121916,
"density_atomic": 0.06884655687047495,
"volume": 217.87581953038517,
"volume_molar": 8.747192356082243,
"formula_full": "Na1 Zr2 Zn1 F11",
"formula_reduced": "NaZr2ZnF11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.1567741005000005,
"spacegroup": 12
},
{
"id": "jvasp-115239",
"created_at": "2022-09-04T14:38:45.824062Z",
"updated_at": "2022-09-04T14:38:45.824104Z",
"structure_string": "Mg3 O1\n1.0\n4.247901 0.137842 1.300610\n4.028310 -3.046686 2.070410\n-0.412542 0.206328 -5.527445\nMg O\n3 1\ndirect\n-0.058753 0.153503 0.142152 Mg\n-0.029929 0.474601 0.810166 Mg\n0.947733 0.814661 0.465403 Mg\n0.711435 0.980429 0.806990 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 2.0472401173856216,
"density_atomic": 0.05546353868743734,
"volume": 72.1194517093806,
"volume_molar": 10.857837243197814,
"formula_full": "Mg3 O1",
"formula_reduced": "Mg3O",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1568770249999999,
"spacegroup": 1
},
{
"id": "jvasp-106466",
"created_at": "2022-09-04T14:36:50.814945Z",
"updated_at": "2022-09-04T14:36:50.814975Z",
"structure_string": "Mg1 Zn3 S4\n1.0\n5.493500 -0.000000 0.000000\n0.000000 5.493500 0.000000\n-0.000000 0.000000 5.493500\nMg Zn S\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.500000 0.000000 -0.000000 Zn\n0.755119 0.755119 0.244881 S\n0.755119 0.244881 0.755119 S\n0.244881 0.755119 0.755119 S\n0.244881 0.244881 0.244881 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"S"
],
"chemical_system": "Mg-S-Zn",
"density": 3.493560158843204,
"density_atomic": 0.04825503116436675,
"volume": 165.785821850375,
"volume_molar": 12.479819439940522,
"formula_full": "Mg1 Zn3 S4",
"formula_reduced": "MgZn3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.1570712812499999,
"spacegroup": 215
},
{
"id": "jvasp-2020",
"created_at": "2022-09-04T14:36:15.559876Z",
"updated_at": "2022-09-04T14:36:15.559895Z",
"structure_string": "Ni1 Cl2\n1.0\n3.281023 -0.024914 4.984873\n1.474755 2.931011 4.984873\n-0.040771 -0.024914 5.967613\nNi Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.255441 0.255442 0.255440 Cl\n0.744559 0.744560 0.744556 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"Cl"
],
"chemical_system": "Cl-Ni",
"density": 3.6829226432372133,
"density_atomic": 0.05134069734913213,
"volume": 58.43317591888363,
"volume_molar": 11.729760347911984,
"formula_full": "Ni1 Cl2",
"formula_reduced": "NiCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1571868449999999,
"spacegroup": 166
},
{
"id": "jvasp-95645",
"created_at": "2022-09-04T14:36:38.209871Z",
"updated_at": "2022-09-04T14:36:38.209896Z",
"structure_string": "Tl6 Fe2 Cl10\n1.0\n7.481427 0.000000 -3.704606\n-1.834423 7.253044 -3.704606\n-0.025255 -0.032438 9.355647\nTl Fe Cl\n6 2 10\ndirect\n0.657873 0.157872 -0.000000 Tl\n0.157873 0.342127 -0.000000 Tl\n0.342128 0.842127 -0.000001 Tl\n0.250000 0.250000 0.500000 Tl\n0.750001 0.749999 0.500000 Tl\n0.842128 0.657872 -0.000001 Tl\n0.250001 0.749999 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.500727 0.308550 0.309277 Cl\n0.500000 0.500000 -0.000000 Cl\n0.499274 0.691450 0.690723 Cl\n0.191451 0.999272 0.690723 Cl\n0.999274 0.499273 0.690723 Cl\n0.691451 0.191450 0.690723 Cl\n0.000727 0.500727 0.309277 Cl\n0.000000 0.000000 0.000000 Cl\n0.808550 0.000727 0.309277 Cl\n0.308550 0.808549 0.309276 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Tl",
"density": 5.555782180368011,
"density_atomic": 0.03558236908102856,
"volume": 505.86850917683984,
"volume_molar": 16.924507601746004,
"formula_full": "Tl6 Fe2 Cl10",
"formula_reduced": "Tl3FeCl5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.1572370708333333,
"spacegroup": 140
}
]
}