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=4376",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4374",
"results": [
{
"id": "jvasp-16260",
"created_at": "2022-09-04T14:38:18.448484Z",
"updated_at": "2022-09-04T14:38:18.448504Z",
"structure_string": "Fe1 Ir3\n1.0\n3.794417 -0.000000 -0.000000\n-0.000000 3.794417 -0.000000\n-0.000000 0.000000 3.794417\nFe Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ir"
],
"chemical_system": "Fe-Ir",
"density": 19.22523727782408,
"density_atomic": 0.07321917297277193,
"volume": 54.630499602713115,
"volume_molar": 8.224813959916562,
"formula_full": "Fe1 Ir3",
"formula_reduced": "FeIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.3160322,
"spacegroup": 221
},
{
"id": "jvasp-121967",
"created_at": "2022-09-04T14:38:54.521040Z",
"updated_at": "2022-09-04T14:38:54.521064Z",
"structure_string": "La1 Mo6 S8\n1.0\n6.558537 0.013219 0.132205\n0.129834 6.557265 0.132205\n0.013457 0.013219 6.559856\nLa Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.436894 0.579989 0.771820 Mo\n0.771819 0.436895 0.579990 Mo\n0.579988 0.771819 0.436895 Mo\n0.563106 0.420012 0.228182 Mo\n0.228181 0.563106 0.420012 Mo\n0.420012 0.228182 0.563107 Mo\n0.755868 0.755868 0.755869 S\n0.244133 0.244133 0.244133 S\n0.250263 0.874913 0.623639 S\n0.623639 0.250263 0.874914 S\n0.874913 0.623639 0.250264 S\n0.749738 0.125087 0.376363 S\n0.376361 0.749738 0.125088 S\n0.125087 0.376362 0.749738 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"La",
"Mo",
"S"
],
"chemical_system": "La-Mo-S",
"density": 5.7164465566413085,
"density_atomic": 0.05317650594095561,
"volume": 282.07945848595637,
"volume_molar": 11.324814696713371,
"formula_full": "La1 Mo6 S8",
"formula_reduced": "La(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.316178026666667,
"spacegroup": 148
},
{
"id": "jvasp-42052",
"created_at": "2022-09-04T14:37:45.478438Z",
"updated_at": "2022-09-04T14:37:45.478454Z",
"structure_string": "Fe1 Si1 Tc2\n1.0\n0.000000 2.968351 2.968351\n2.968351 0.000000 2.968351\n2.968351 2.968351 0.000000\nFe Si Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Fe\n0.750001 0.750001 0.750001 Si\n0.000000 0.000000 0.000000 Tc\n0.500001 0.500001 0.500001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Tc"
],
"chemical_system": "Fe-Si-Tc",
"density": 8.886352979034905,
"density_atomic": 0.07646879279147806,
"volume": 52.3089204625939,
"volume_molar": 7.87529205073462,
"formula_full": "Fe1 Si1 Tc2",
"formula_reduced": "FeSiTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.316294274999999,
"spacegroup": 225
},
{
"id": "jvasp-70743",
"created_at": "2022-09-04T14:35:52.626114Z",
"updated_at": "2022-09-04T14:35:52.626143Z",
"structure_string": "Zr2 Ta1 Be1\n1.0\n3.280609 0.000000 -0.000000\n-0.000000 3.280609 0.000000\n0.000000 0.000000 6.775515\nZr Ta Be\n2 1 1\ndirect\n0.000000 0.000000 0.976960 Zr\n0.500000 0.500000 0.289320 Zr\n0.500000 0.500000 0.704256 Ta\n0.000000 0.000000 0.529462 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Be"
],
"chemical_system": "Be-Ta-Zr",
"density": 8.480411309260543,
"density_atomic": 0.054854054824099545,
"volume": 72.92077154235538,
"volume_molar": 10.97847876389666,
"formula_full": "Zr2 Ta1 Be1",
"formula_reduced": "Zr2TaBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.316371074999999,
"spacegroup": 99
},
{
"id": "jvasp-41523",
"created_at": "2022-09-04T14:37:36.803491Z",
"updated_at": "2022-09-04T14:37:36.803501Z",
"structure_string": "V3 Ru1\n1.0\n0.000000 2.985891 2.985891\n2.985891 0.000000 2.985891\n2.985891 2.985891 -0.000000\nV Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 V\n0.249999 0.249999 0.249999 V\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Ru"
],
"chemical_system": "Ru-V",
"density": 7.918639019689011,
"density_atomic": 0.07512909310075688,
"volume": 53.24169153267341,
"volume_molar": 8.015724017756485,
"formula_full": "V3 Ru1",
"formula_reduced": "V3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 4.316440775,
"spacegroup": 225
},
{
"id": "jvasp-91803",
"created_at": "2022-09-04T14:35:44.620221Z",
"updated_at": "2022-09-04T14:35:44.620245Z",
"structure_string": "Nb4 Ge2 C2\n1.0\n-1.641538 -2.843197 -0.000000\n-1.641538 2.843197 0.000000\n0.000000 -0.000000 -12.572115\nNb Ge C\n4 2 2\ndirect\n0.666661 0.333341 0.593437 Nb\n0.333341 0.666661 0.406563 Nb\n0.333341 0.666661 0.093437 Nb\n0.666661 0.333341 0.906562 Nb\n0.333318 0.666683 0.750000 Ge\n0.666683 0.333318 0.250000 Ge\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Ge",
"C"
],
"chemical_system": "C-Ge-Nb",
"density": 7.654052895626522,
"density_atomic": 0.06817007212416426,
"volume": 117.35355047635689,
"volume_molar": 8.833994995679827,
"formula_full": "Nb4 Ge2 C2",
"formula_reduced": "Nb2GeC",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.3165086875,
"spacegroup": 194
},
{
"id": "jvasp-111523",
"created_at": "2022-09-04T14:38:40.561565Z",
"updated_at": "2022-09-04T14:38:40.561586Z",
"structure_string": "Er1 Ti1 Fe11 C1\n1.0\n4.427075 0.000000 -1.780403\n2.226495 5.986895 -0.857982\n0.020326 0.005277 6.444835\nEr Ti Fe C\n1 1 11 1\ndirect\n0.008189 0.991810 0.008190 Er\n0.631997 0.368004 0.631997 Ti\n0.725205 0.774796 0.225205 Fe\n0.276899 0.223102 0.776898 Fe\n0.497957 0.781516 0.777429 Fe\n0.497957 0.222572 0.218485 Fe\n0.501089 0.997543 0.500101 Fe\n0.001469 0.997543 0.500101 Fe\n0.501089 0.499899 0.002458 Fe\n0.001470 0.499899 0.002458 Fe\n0.354978 0.645022 0.354979 Fe\n0.000140 0.357290 0.357571 Fe\n0.000140 0.642430 0.642710 Fe\n0.501416 0.998584 0.001418 C\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Er",
"Ti",
"Fe",
"C"
],
"chemical_system": "C-Er-Fe-Ti",
"density": 8.169385156944529,
"density_atomic": 0.08185579684802295,
"volume": 171.03248076606,
"volume_molar": 7.357011955037185,
"formula_full": "Er1 Ti1 Fe11 C1",
"formula_reduced": "ErTiFe11C",
"formula_anonymous": "ABCD11",
"energy_above_hull": 4.31663205952381,
"spacegroup": 44
},
{
"id": "jvasp-59751",
"created_at": "2022-09-04T14:38:35.019885Z",
"updated_at": "2022-09-04T14:38:35.019913Z",
"structure_string": "Ce2 Co8 B8\n1.0\n5.045686 0.000000 0.000000\n-0.000000 5.045686 -0.000000\n0.000000 0.000000 7.050639\nCe Co B\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.752232 0.863388 Co\n0.500000 0.252232 0.636612 Co\n0.747769 0.500000 0.363388 Co\n0.500000 0.747769 0.636612 Co\n0.000000 0.247768 0.863388 Co\n0.752232 0.000000 0.136612 Co\n0.247768 0.000000 0.136612 Co\n0.252232 0.500000 0.363388 Co\n0.327646 0.000000 0.840970 B\n0.000000 0.327646 0.159031 B\n0.172354 0.500000 0.659031 B\n0.827647 0.500000 0.659031 B\n0.500000 0.172354 0.340969 B\n0.500000 0.827647 0.340969 B\n0.000000 0.672355 0.159031 B\n0.672355 0.000000 0.840970 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"Co",
"B"
],
"chemical_system": "B-Ce-Co",
"density": 7.753902801920699,
"density_atomic": 0.10027752020876023,
"volume": 179.50184610196936,
"volume_molar": 6.005474355032871,
"formula_full": "Ce2 Co8 B8",
"formula_reduced": "Ce(CoB)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.316752159259259,
"spacegroup": 137
},
{
"id": "jvasp-29019",
"created_at": "2022-09-04T14:38:29.062761Z",
"updated_at": "2022-09-04T14:38:29.062789Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.279410 0.000011 -0.000640\n-1.639696 2.840187 0.000514\n-0.006608 0.002374 33.257010\nTe Mo W S\n2 1 3 6\ndirect\n0.333517 0.666671 0.726932 Te\n0.333161 0.667004 0.610187 Te\n0.666820 0.333882 0.277534 Mo\n0.333393 0.666617 0.092316 W\n0.333212 0.666208 0.464467 W\n0.666669 0.333498 0.668645 W\n0.333512 0.666849 0.323811 S\n0.666447 0.333127 0.045872 S\n0.666385 0.332986 0.417981 S\n0.666838 0.333063 0.138784 S\n0.666738 0.332869 0.510947 S\n0.333299 0.667225 0.231269 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.870246956198206,
"density_atomic": 0.03873954995122107,
"volume": 309.76095527980596,
"volume_molar": 15.545200622058807,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.316879286111111,
"spacegroup": 156
},
{
"id": "jvasp-15414",
"created_at": "2022-09-04T14:36:48.728249Z",
"updated_at": "2022-09-04T14:36:48.728270Z",
"structure_string": "Mn3 Al1 C1\n1.0\n3.806165 0.000000 -0.000000\n0.000000 3.806165 -0.000000\n-0.000000 0.000000 3.806165\nMn Al C\n3 1 1\ndirect\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"Al",
"C"
],
"chemical_system": "Al-C-Mn",
"density": 6.137676934022275,
"density_atomic": 0.0906790935827255,
"volume": 55.13950131667954,
"volume_molar": 6.641156767304991,
"formula_full": "Mn3 Al1 C1",
"formula_reduced": "Mn3AlC",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.316964904827586,
"spacegroup": 221
},
{
"id": "jvasp-28977",
"created_at": "2022-09-04T14:37:30.628276Z",
"updated_at": "2022-09-04T14:37:30.628308Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.275014 -0.000000 0.000000\n-1.637508 2.836243 0.000001\n0.000000 0.000011 37.230855\nTe Mo W S\n2 1 3 6\ndirect\n0.666637 0.333274 0.417515 Te\n0.666640 0.333283 0.521763 Te\n0.666701 0.333405 0.281753 Mo\n0.333310 0.666622 0.093926 W\n0.333307 0.666615 0.469648 W\n0.666691 0.333384 0.657602 W\n0.333351 0.666703 0.323085 S\n0.333352 0.666707 0.699068 S\n0.666646 0.333295 0.052425 S\n0.666645 0.333291 0.135449 S\n0.333351 0.666703 0.240440 S\n0.333353 0.666710 0.616077 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.258034595907607,
"density_atomic": 0.03469937387529112,
"volume": 345.82756574017066,
"volume_molar": 17.355185663128847,
"formula_full": "Te2 Mo1 W3 S6",
"formula_reduced": "Te2Mo(WS2)3",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.317334286111111,
"spacegroup": 156
},
{
"id": "jvasp-61948",
"created_at": "2022-09-04T14:35:55.599339Z",
"updated_at": "2022-09-04T14:35:55.599357Z",
"structure_string": "Al3 Co20 B6\n1.0\n0.000000 5.227941 5.227941\n5.227941 -0.000000 5.227941\n5.227941 5.227941 -0.000000\nAl Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.659829 Co\n0.659829 0.340171 0.000000 Co\n0.340171 0.000000 0.659829 Co\n0.000000 0.659829 0.000000 Co\n0.000000 0.340171 0.000000 Co\n0.659829 0.000000 0.340171 Co\n0.340171 0.000000 0.000000 Co\n0.000000 0.340171 0.659829 Co\n0.000000 0.659829 0.340171 Co\n0.659829 0.000000 0.000000 Co\n0.617761 0.617761 0.617761 Co\n0.617761 0.617761 0.146715 Co\n0.146715 0.617761 0.617761 Co\n0.617761 0.146715 0.617761 Co\n0.382238 0.382238 0.382238 Co\n0.382238 0.382238 0.853285 Co\n0.382238 0.853285 0.382238 Co\n0.853285 0.382238 0.382238 Co\n0.000000 0.000000 0.340171 Co\n0.340171 0.659829 0.000000 Co\n0.277198 0.277198 0.722802 B\n0.722802 0.722802 0.277198 B\n0.277198 0.722802 0.277198 B\n0.722802 0.277198 0.722802 B\n0.277198 0.722802 0.722802 B\n0.722802 0.277198 0.277198 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Al",
"Co",
"B"
],
"chemical_system": "Al-B-Co",
"density": 7.696099522365397,
"density_atomic": 0.10147895098046415,
"volume": 285.77354929085567,
"volume_molar": 5.934374273497693,
"formula_full": "Al3 Co20 B6",
"formula_reduced": "Al3(Co10B3)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 4.317357306896552,
"spacegroup": 225
}
]
}