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=density&page=3430",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=3428",
"results": [
{
"id": "jvasp-86077",
"created_at": "2022-09-04T14:35:46.613445Z",
"updated_at": "2022-09-04T14:35:46.613471Z",
"structure_string": "La2 Al1 Ni9\n1.0\n5.002183 0.044760 0.000000\n-2.462328 4.354398 0.000000\n0.000000 0.000000 8.061172\nLa Al Ni\n2 1 9\ndirect\n0.000000 0.000000 0.015464 La\n0.000000 0.000000 0.484536 La\n0.500000 0.500000 0.750000 Al\n0.667953 0.332047 0.999578 Ni\n0.667953 0.332047 0.500422 Ni\n0.500000 0.500000 0.250000 Ni\n0.332046 0.667953 0.999578 Ni\n0.500000 -0.000000 0.750000 Ni\n-0.000000 0.500000 0.250000 Ni\n0.500000 -0.000000 0.250000 Ni\n0.332046 0.667953 0.500422 Ni\n-0.000000 0.500000 0.750000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Al",
"Ni"
],
"chemical_system": "Al-La-Ni",
"density": 7.8385093586128205,
"density_atomic": 0.06799913415460854,
"volume": 176.47283526751667,
"volume_molar": 8.856202119143981,
"formula_full": "La2 Al1 Ni9",
"formula_reduced": "La2AlNi9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.4691445333333333,
"spacegroup": 65
},
{
"id": "jvasp-37908",
"created_at": "2022-09-04T14:37:43.959542Z",
"updated_at": "2022-09-04T14:37:43.959557Z",
"structure_string": "Be1 Ga1 Co2\n1.0\n0.000000 2.751211 2.751211\n2.751211 0.000000 2.751211\n2.751211 2.751211 0.000000\nBe Ga Co\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Be\n0.750000 0.750000 0.750000 Ga\n0.499999 0.499999 0.499999 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Co"
],
"chemical_system": "Be-Co-Ga",
"density": 7.838525764750336,
"density_atomic": 0.09604135926751615,
"volume": 41.64872332614841,
"volume_molar": 6.270361858609028,
"formula_full": "Be1 Ga1 Co2",
"formula_reduced": "BeGaCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9201475562500003,
"spacegroup": 225
},
{
"id": "jvasp-81386",
"created_at": "2022-09-04T14:37:18.576261Z",
"updated_at": "2022-09-04T14:37:18.576288Z",
"structure_string": "Li1 Ti2 Ir1\n1.0\n-8.595185 -0.000000 -4.962433\n-5.518962 -1.055358 -0.365741\n-4.207215 2.654823 -2.637754\nLi Ti Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.746497 0.000000 0.000000 Ti\n0.253503 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ti",
"Ir"
],
"chemical_system": "Ir-Li-Ti",
"density": 7.838649305037433,
"density_atomic": 0.06403083094763479,
"volume": 62.46990614991785,
"volume_molar": 9.405064202469873,
"formula_full": "Li1 Ti2 Ir1",
"formula_reduced": "LiTi2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2770844416666662,
"spacegroup": 71
},
{
"id": "jvasp-79766",
"created_at": "2022-09-04T14:37:17.563198Z",
"updated_at": "2022-09-04T14:37:17.563218Z",
"structure_string": "Ca2 Au2\n1.0\n3.713385 0.000000 -1.328101\n-0.000000 4.613700 0.000000\n0.002106 -0.000000 5.861272\nCa Au\n2 2\ndirect\n0.861569 0.250000 0.723135 Ca\n0.138433 0.750000 0.276865 Ca\n0.584976 0.250000 0.169950 Au\n0.415027 0.750000 0.830051 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.838664738381861,
"density_atomic": 0.03982841086841975,
"volume": 100.43082093369763,
"volume_molar": 15.120213507627046,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy_above_hull": 3.4999999999951736e-05,
"spacegroup": 63
},
{
"id": "jvasp-21784",
"created_at": "2022-09-04T14:38:19.206752Z",
"updated_at": "2022-09-04T14:38:19.206775Z",
"structure_string": "Mg1 Co6 Ge6\n1.0\n2.540694 -4.400612 0.000000\n2.540694 4.400612 0.000000\n0.000000 -0.000000 7.708942\nMg Co Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 -0.000000 0.749959 Co\n-0.000000 0.499999 0.749959 Co\n0.499999 0.499999 0.749959 Co\n-0.000000 0.499999 0.250041 Co\n0.499999 -0.000000 0.250041 Co\n0.499999 0.499999 0.250041 Co\n0.666666 0.333332 0.500000 Ge\n0.333332 0.666666 0.500000 Ge\n0.666666 0.333332 0.000000 Ge\n0.000000 0.000000 0.336621 Ge\n0.000000 0.000000 0.663379 Ge\n0.333332 0.666666 0.000000 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mg",
"density": 7.838749265307782,
"density_atomic": 0.07541420163618069,
"volume": 172.38132497530975,
"volume_molar": 7.985420026127838,
"formula_full": "Mg1 Co6 Ge6",
"formula_reduced": "Mg(CoGe)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.221310011538461,
"spacegroup": 191
},
{
"id": "jvasp-86677",
"created_at": "2022-09-04T14:35:47.104565Z",
"updated_at": "2022-09-04T14:35:47.104578Z",
"structure_string": "La2 Al1 Ni9\n1.0\n5.002096 0.044831 0.000000\n-2.462223 4.354357 0.000000\n0.000000 0.000000 8.061012\nLa Al Ni\n2 1 9\ndirect\n0.000000 0.000000 0.015478 La\n0.000000 0.000000 0.484522 La\n0.500001 0.500000 0.750000 Al\n0.667961 0.332040 0.999575 Ni\n0.667961 0.332040 0.500425 Ni\n0.500001 0.500000 0.250000 Ni\n0.332041 0.667961 0.999575 Ni\n0.500000 -0.000000 0.750000 Ni\n0.000000 0.500000 0.250000 Ni\n0.500000 -0.000000 0.250000 Ni\n0.332041 0.667961 0.500425 Ni\n0.000000 0.500000 0.750000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Al",
"Ni"
],
"chemical_system": "Al-La-Ni",
"density": 7.838813112717576,
"density_atomic": 0.0680017692240043,
"volume": 176.4659969429745,
"volume_molar": 8.855858941202685,
"formula_full": "La2 Al1 Ni9",
"formula_reduced": "La2AlNi9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 1.4691437,
"spacegroup": 65
},
{
"id": "jvasp-64899",
"created_at": "2022-09-04T14:35:52.870756Z",
"updated_at": "2022-09-04T14:35:52.870779Z",
"structure_string": "Be2 Sn1 Hg1\n1.0\n-1.832483 1.832483 5.319692\n1.832483 -1.832483 5.319692\n1.832483 1.832483 -5.319692\nBe Sn Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Sn\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Hg"
],
"chemical_system": "Be-Hg-Sn",
"density": 7.839176078542053,
"density_atomic": 0.05598009138019967,
"volume": 71.45397410720933,
"volume_molar": 10.757647248375248,
"formula_full": "Be2 Sn1 Hg1",
"formula_reduced": "Be2SnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7804146249999999,
"spacegroup": 119
},
{
"id": "jvasp-63839",
"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Au"
],
"chemical_system": "Au-Ca",
"density": 7.839219516482609,
"density_atomic": 0.03983122970694325,
"volume": 100.42371348888416,
"volume_molar": 15.119143456799277,
"formula_full": "Ca2 Au2",
"formula_reduced": "CaAu",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-79920",
"created_at": "2022-09-04T14:37:04.101754Z",
"updated_at": "2022-09-04T14:37:04.101793Z",
"structure_string": "Mg1 Ti1 Rh2\n1.0\n0.000010 3.087828 3.087830\n3.087824 0.000010 3.087831\n3.087827 3.087831 0.000007\nMg Ti Rh\n1 1 2\ndirect\n0.250001 0.250000 0.250001 Mg\n0.750002 0.750000 0.750000 Ti\n0.000000 0.000003 0.999999 Rh\n0.500001 0.499999 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Rh"
],
"chemical_system": "Mg-Rh-Ti",
"density": 7.839344032978435,
"density_atomic": 0.0679316839504241,
"volume": 58.8826857717698,
"volume_molar": 8.864995551111175,
"formula_full": "Mg1 Ti1 Rh2",
"formula_reduced": "MgTiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9888658458333333,
"spacegroup": 225
},
{
"id": "jvasp-85429",
"created_at": "2022-09-04T14:35:54.151871Z",
"updated_at": "2022-09-04T14:35:54.151900Z",
"structure_string": "Ca2 Mn2 Bi4\n1.0\n4.569187 -0.000000 -0.000000\n0.000000 4.569187 0.000000\n-0.000000 -0.000000 10.409102\nCa Mn Bi\n2 2 4\ndirect\n0.750000 0.750000 0.254145 Ca\n0.250000 0.250000 0.745855 Ca\n0.750000 0.250000 0.000000 Mn\n0.250000 0.750000 0.000000 Mn\n0.750000 0.750000 0.840675 Bi\n0.250000 0.750000 0.500000 Bi\n0.750000 0.250000 0.500000 Bi\n0.250000 0.250000 0.159325 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Bi"
],
"chemical_system": "Bi-Ca-Mn",
"density": 7.839452373916274,
"density_atomic": 0.036812800541400514,
"volume": 217.31571307657015,
"volume_molar": 16.358822668835973,
"formula_full": "Ca2 Mn2 Bi4",
"formula_reduced": "CaMnBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3418740653448276,
"spacegroup": 129
},
{
"id": "jvasp-7752",
"created_at": "2022-09-04T14:37:06.167680Z",
"updated_at": "2022-09-04T14:37:06.167691Z",
"structure_string": "Dy2 S1 O2\n1.0\n1.898809 -3.288833 0.000000\n1.898809 3.288833 -0.000000\n0.000000 0.000000 6.598157\nDy S O\n2 1 2\ndirect\n0.666667 0.333333 0.281874 Dy\n0.333333 0.666667 0.718127 Dy\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.629507 O\n0.333333 0.666667 0.370493 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"S",
"O"
],
"chemical_system": "Dy-O-S",
"density": 7.8396049394981935,
"density_atomic": 0.06067283112019749,
"volume": 82.40920866367057,
"volume_molar": 9.925597089856714,
"formula_full": "Dy2 S1 O2",
"formula_reduced": "Dy2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3414219999999997,
"spacegroup": 164
},
{
"id": "jvasp-38758",
"created_at": "2022-09-04T14:38:36.328661Z",
"updated_at": "2022-09-04T14:38:36.328686Z",
"structure_string": "Li4 Yb8 In4 Ge8\n1.0\n4.377306 -0.000000 0.000000\n0.000000 7.142305 0.000000\n0.000000 0.000000 16.615468\nYb Li In Ge\n8 4 4 8\ndirect\n0.750001 0.985127 0.279536 Yb\n0.250000 0.514874 0.779536 Yb\n0.750001 0.485127 0.220464 Yb\n0.250000 0.014873 0.720464 Yb\n0.750001 0.843156 0.062117 Yb\n0.250000 0.656845 0.562117 Yb\n0.750001 0.343155 0.437883 Yb\n0.250000 0.156845 0.937883 Yb\n0.750001 0.490269 0.933071 Li\n0.250000 0.009732 0.433070 Li\n0.750001 0.990269 0.566930 Li\n0.250000 0.509732 0.066930 Li\n0.750001 0.844610 0.846739 In\n0.250000 0.655391 0.346739 In\n0.750001 0.344610 0.653261 In\n0.250000 0.155391 0.153261 In\n0.750001 0.269405 0.060724 Ge\n0.750001 0.731490 0.684229 Ge\n0.250000 0.768511 0.184229 Ge\n0.750001 0.231489 0.815771 Ge\n0.250000 0.268511 0.315771 Ge\n0.750001 0.769406 0.439276 Ge\n0.250000 0.730595 0.939276 Ge\n0.250000 0.230595 0.560724 Ge\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Li",
"In",
"Ge"
],
"chemical_system": "Ge-In-Li-Yb",
"density": 7.839637572138356,
"density_atomic": 0.046201211493805044,
"volume": 519.4668975989531,
"volume_molar": 13.03459490625584,
"formula_full": "Li4 Yb8 In4 Ge8",
"formula_reduced": "LiYb2InGe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}