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=created_at&page=656",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=654",
"results": [
{
"id": "jvasp-72278",
"created_at": "2022-09-04T14:36:02.472452Z",
"updated_at": "2022-09-04T14:36:02.472480Z",
"structure_string": "Be1 Cr2 Te1\n1.0\n3.909441 0.000000 0.000000\n0.000000 3.909441 0.000000\n0.000000 0.000000 3.731493\nBe Cr Te\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cr",
"Te"
],
"chemical_system": "Be-Cr-Te",
"density": 7.005524758875877,
"density_atomic": 0.07013713692079798,
"volume": 57.03112752545032,
"volume_molar": 8.586236941494308,
"formula_full": "Be1 Cr2 Te1",
"formula_reduced": "BeCr2Te",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2271971666666674,
"spacegroup": 123
},
{
"id": "jvasp-65493",
"created_at": "2022-09-04T14:36:02.476198Z",
"updated_at": "2022-09-04T14:36:02.476225Z",
"structure_string": "Ba1 Ru2 W1\n1.0\n3.350296 0.000000 -0.000000\n0.000000 3.350296 0.000000\n0.000000 -0.000000 7.765172\nBa Ru W\n1 2 1\ndirect\n0.500001 0.500001 0.760426 Ba\n0.000000 0.000000 0.082117 Ru\n0.500001 0.500001 0.265354 Ru\n0.000000 0.000000 0.392102 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"W"
],
"chemical_system": "Ba-Ru-W",
"density": 9.969840353805782,
"density_atomic": 0.04589258846993836,
"volume": 87.16004333946371,
"volume_molar": 13.122251240948774,
"formula_full": "Ba1 Ru2 W1",
"formula_reduced": "BaRu2W",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.3373492425,
"spacegroup": 99
},
{
"id": "jvasp-106060",
"created_at": "2022-09-04T14:36:02.478387Z",
"updated_at": "2022-09-04T14:36:02.478411Z",
"structure_string": "K2 Mg1 Cu1 F6\n1.0\n4.030059 0.000000 0.000000\n0.000000 4.030059 0.000000\n0.000000 0.000000 8.061030\nK Mg Cu F\n2 1 1 6\ndirect\n0.500000 0.500000 0.247296 K\n0.500000 0.500000 0.752704 K\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.252096 F\n0.000000 0.000000 0.747904 F\n0.000000 0.500000 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Mg",
"Cu",
"F"
],
"chemical_system": "Cu-F-K-Mg",
"density": 3.5518347229969476,
"density_atomic": 0.07638123111511794,
"volume": 130.92221549726665,
"volume_molar": 7.884320103355932,
"formula_full": "K2 Mg1 Cu1 F6",
"formula_reduced": "K2MgCuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.000291,
"spacegroup": 123
},
{
"id": "jvasp-42341",
"created_at": "2022-09-04T14:36:02.480461Z",
"updated_at": "2022-09-04T14:36:02.480490Z",
"structure_string": "Ca6 W2 O12\n1.0\n6.557928 -0.022310 -0.022845\n-0.174199 6.555652 -0.022845\n-0.174200 -0.178282 6.553267\nCa W O\n6 2 12\ndirect\n0.066589 0.564504 0.252884 Ca\n0.252884 0.066589 0.564504 Ca\n0.435496 0.747116 0.933412 Ca\n0.564504 0.252884 0.066590 Ca\n0.747116 0.933411 0.435498 Ca\n0.933411 0.435496 0.747118 Ca\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500001 W\n0.782799 0.578358 0.452661 O\n0.717487 0.930015 0.062378 O\n0.578358 0.452660 0.782800 O\n0.547340 0.217201 0.421643 O\n0.452660 0.782799 0.578359 O\n0.069985 0.937623 0.282514 O\n0.282513 0.069985 0.937624 O\n0.217201 0.421642 0.547341 O\n0.930015 0.062377 0.717488 O\n0.062377 0.717487 0.930016 O\n0.421642 0.547340 0.217202 O\n0.937623 0.282513 0.069986 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 4.717338177769004,
"density_atomic": 0.07100868879293294,
"volume": 281.6556725659533,
"volume_molar": 8.480850530223206,
"formula_full": "Ca6 W2 O12",
"formula_reduced": "Ca3WO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.2144892259999995,
"spacegroup": 148
},
{
"id": "jvasp-69613",
"created_at": "2022-09-04T14:36:02.490806Z",
"updated_at": "2022-09-04T14:36:02.490837Z",
"structure_string": "Be2 Cu1 Tc1\n1.0\n2.653711 0.000000 -0.000000\n0.000000 2.653711 0.000000\n-0.000000 -0.000000 6.015003\nBe Cu Tc\n2 1 1\ndirect\n0.000000 0.000000 0.773751 Be\n0.000000 0.000000 0.226249 Be\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Tc"
],
"chemical_system": "Be-Cu-Tc",
"density": 7.039481353084578,
"density_atomic": 0.09443150118094235,
"volume": 42.358746286745024,
"volume_molar": 6.377258313897646,
"formula_full": "Be2 Cu1 Tc1",
"formula_reduced": "Be2CuTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1657710375,
"spacegroup": 123
},
{
"id": "jvasp-18469",
"created_at": "2022-09-04T14:36:02.493527Z",
"updated_at": "2022-09-04T14:36:02.493553Z",
"structure_string": "Na6 Bi2\n1.0\n2.722426 -4.715379 0.000000\n2.722426 4.715379 -0.000000\n0.000000 0.000000 9.683933\nNa Bi\n6 2\ndirect\n0.333334 0.666668 0.082626 Na\n0.666668 0.333334 0.582626 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.333334 0.666668 0.417374 Na\n0.666668 0.333334 0.917374 Na\n0.666668 0.333334 0.250000 Bi\n0.333334 0.666668 0.750000 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Bi"
],
"chemical_system": "Bi-Na",
"density": 3.7127085188616658,
"density_atomic": 0.0321762573278662,
"volume": 248.6305327087129,
"volume_molar": 18.716100815070668,
"formula_full": "Na6 Bi2",
"formula_reduced": "Na3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-62849",
"created_at": "2022-09-04T14:36:02.494229Z",
"updated_at": "2022-09-04T14:36:02.494257Z",
"structure_string": "Y4 B16 Os4\n1.0\n3.596056 0.000000 0.000000\n0.000000 5.969849 -0.000000\n0.000000 -0.000000 11.551175\nY B Os\n4 16 4\ndirect\n0.000000 0.128429 0.850030 Y\n0.000000 0.871571 0.149970 Y\n0.000000 0.371571 0.350030 Y\n0.000000 0.628430 0.649970 Y\n0.500001 0.974210 0.691332 B\n0.500001 0.025790 0.308667 B\n0.500001 0.525790 0.191332 B\n0.500001 0.474210 0.808667 B\n0.500001 0.887740 0.546619 B\n0.500001 0.112261 0.453381 B\n0.500001 0.612261 0.046619 B\n0.500001 0.387740 0.953381 B\n0.500001 0.863701 0.970268 B\n0.500001 0.136299 0.029731 B\n0.500001 0.636299 0.470268 B\n0.500001 0.363701 0.529731 B\n0.500001 0.789490 0.814165 B\n0.500001 0.210510 0.185834 B\n0.500001 0.710510 0.314166 B\n0.500001 0.289490 0.685834 B\n0.000000 0.141652 0.593966 Os\n0.000000 0.858348 0.406033 Os\n0.000000 0.358348 0.093966 Os\n0.000000 0.641652 0.906033 Os\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"B",
"Os"
],
"chemical_system": "B-Os-Y",
"density": 8.634973750278709,
"density_atomic": 0.0967821544697423,
"volume": 247.97960049032898,
"volume_molar": 6.222366915672192,
"formula_full": "Y4 B16 Os4",
"formula_reduced": "YB4Os",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.853581797222223,
"spacegroup": 55
},
{
"id": "jvasp-64282",
"created_at": "2022-09-04T14:36:02.500454Z",
"updated_at": "2022-09-04T14:36:02.500474Z",
"structure_string": "Ba4 Co1 Pb1\n1.0\n0.000000 4.908906 4.908906\n4.908906 0.000000 4.908906\n4.908906 4.908906 -0.000000\nBa Co Pb\n4 1 1\ndirect\n0.125019 0.624994 0.624994 Ba\n0.624994 0.624994 0.624994 Ba\n0.624994 0.125019 0.624994 Ba\n0.624994 0.624994 0.125019 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Co",
"Pb"
],
"chemical_system": "Ba-Co-Pb",
"density": 5.723446158073049,
"density_atomic": 0.025361042797040673,
"volume": 236.58333168776986,
"volume_molar": 23.745635414891975,
"formula_full": "Ba4 Co1 Pb1",
"formula_reduced": "Ba4CoPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5956259333333331,
"spacegroup": 216
},
{
"id": "jvasp-68826",
"created_at": "2022-09-04T14:36:02.504326Z",
"updated_at": "2022-09-04T14:36:02.504346Z",
"structure_string": "Be2 Sb2 Rh1\n1.0\n-2.154305 2.154305 4.968470\n2.154305 -2.154305 4.968470\n2.154305 2.154305 -4.968470\nBe Sb Rh\n2 2 1\ndirect\n0.600491 0.600491 0.000000 Be\n0.399509 0.399509 0.000000 Be\n0.749999 0.250000 0.499999 Sb\n0.250000 0.749999 0.499999 Sb\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Sb",
"Rh"
],
"chemical_system": "Be-Rh-Sb",
"density": 6.561299284470902,
"density_atomic": 0.05420919552493772,
"volume": 92.23527395273487,
"volume_molar": 11.109076055610622,
"formula_full": "Be2 Sb2 Rh1",
"formula_reduced": "Be2Sb2Rh",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.24683748,
"spacegroup": 139
},
{
"id": "jvasp-88978",
"created_at": "2022-09-04T14:36:02.505998Z",
"updated_at": "2022-09-04T14:36:02.506020Z",
"structure_string": "Ca2 B4 C4\n1.0\n3.788121 0.000000 0.000000\n-0.000000 3.788121 0.000000\n0.000000 0.000000 7.511258\nCa B C\n2 4 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.781114 0.500000 B\n0.218885 0.500000 0.000000 B\n0.500000 0.218885 0.500000 B\n0.781114 0.500000 0.000000 B\n0.500000 0.815269 0.000000 C\n0.815269 0.500000 0.500000 C\n0.184731 0.500000 0.500000 C\n0.500000 0.184731 0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"C"
],
"chemical_system": "B-C-Ca",
"density": 2.6412407149098307,
"density_atomic": 0.09277685252298015,
"volume": 107.78550606168788,
"volume_molar": 6.490994893913178,
"formula_full": "Ca2 B4 C4",
"formula_reduced": "Ca(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.326955117333334,
"spacegroup": 131
},
{
"id": "jvasp-62610",
"created_at": "2022-09-04T14:36:02.507147Z",
"updated_at": "2022-09-04T14:36:02.507163Z",
"structure_string": "Y4 Fe3 B6\n1.0\n7.309614 -2.648657 -0.084602\n7.309614 2.648657 -0.084602\n6.401915 -0.000000 4.412310\nY Fe B\n4 3 6\ndirect\n0.742330 0.742330 0.742332 Y\n0.257669 0.257669 0.257669 Y\n0.590415 0.590415 0.590417 Y\n0.409583 0.409583 0.409584 Y\n0.000000 0.000000 0.000000 Fe\n0.891364 0.891364 0.891366 Fe\n0.108634 0.108634 0.108635 Fe\n0.832674 0.167324 0.500001 B\n0.167325 0.500000 0.832675 B\n0.499999 0.832674 0.167326 B\n0.167324 0.832674 0.500001 B\n0.832674 0.499999 0.167326 B\n0.500000 0.167325 0.832675 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Fe",
"B"
],
"chemical_system": "B-Fe-Y",
"density": 5.620768387681973,
"density_atomic": 0.07483324832809587,
"volume": 173.71957372481447,
"volume_molar": 8.047413274907925,
"formula_full": "Y4 Fe3 B6",
"formula_reduced": "Y4(FeB2)3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.584044907692308,
"spacegroup": 166
},
{
"id": "jvasp-15196",
"created_at": "2022-09-04T14:36:02.509107Z",
"updated_at": "2022-09-04T14:36:02.509132Z",
"structure_string": "Y1 Si2 Cu2\n1.0\n3.748962 0.000000 -1.387324\n-0.513387 3.713644 -1.387324\n-0.004301 -0.004936 5.747446\nY Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.617795 0.617795 0.235592 Si\n0.382204 0.382203 0.764410 Si\n0.749999 0.249999 0.500001 Cu\n0.249999 0.749999 0.500001 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Si",
"Cu"
],
"chemical_system": "Cu-Si-Y",
"density": 5.6517127644705765,
"density_atomic": 0.06252627700505117,
"volume": 79.96637956864241,
"volume_molar": 9.631375876599055,
"formula_full": "Y1 Si2 Cu2",
"formula_reduced": "Y(CuSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.66069871,
"spacegroup": 139
}
]
}