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=950",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=948",
"results": [
{
"id": "jvasp-100428",
"created_at": "2022-09-04T14:36:49.147887Z",
"updated_at": "2022-09-04T14:36:49.147919Z",
"structure_string": "Ba1 Al1 Sn1\n1.0\n4.676589 -0.000000 -0.000000\n-2.338294 4.050045 0.000000\n-0.000000 0.000000 5.156310\nBa Al Sn\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.500000 Al\n0.333333 0.666666 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Sn"
],
"chemical_system": "Al-Ba-Sn",
"density": 4.8121140253999775,
"density_atomic": 0.030718017449486764,
"volume": 97.66255276510769,
"volume_molar": 19.604587991080194,
"formula_full": "Ba1 Al1 Sn1",
"formula_reduced": "BaAlSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3694201566666666,
"spacegroup": 187
},
{
"id": "jvasp-86709",
"created_at": "2022-09-04T14:36:05.489198Z",
"updated_at": "2022-09-04T14:36:05.489226Z",
"structure_string": "K4 Nb2 Cl12\n1.0\n6.829117 -0.000000 0.000000\n0.000000 6.829117 0.000000\n0.000000 -0.000000 10.265153\nK Nb Cl\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.298019 0.792644 0.500000 Cl\n0.292644 0.798019 0.000000 Cl\n0.207356 0.298019 0.500000 Cl\n0.707357 0.201981 0.000000 Cl\n0.201981 0.292644 0.000000 Cl\n0.701982 0.207356 0.500000 Cl\n0.500000 0.500000 0.260670 Cl\n0.792644 0.701982 0.500000 Cl\n0.000000 0.000000 0.760670 Cl\n0.500000 0.500000 0.739330 Cl\n0.798019 0.707357 0.000000 Cl\n0.000000 0.000000 0.239330 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.662645012714576,
"density_atomic": 0.03759914520414807,
"volume": 478.73428776817457,
"volume_molar": 16.01669593099052,
"formula_full": "K4 Nb2 Cl12",
"formula_reduced": "K2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3694210894444444,
"spacegroup": 128
},
{
"id": "jvasp-86108",
"created_at": "2022-09-04T14:36:21.019432Z",
"updated_at": "2022-09-04T14:36:21.019450Z",
"structure_string": "K4 Nb2 Cl12\n1.0\n6.829187 0.000000 -0.000000\n0.000000 6.829187 0.000000\n-0.000000 0.000000 10.264704\nK Nb Cl\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.298026 0.792623 0.500000 Cl\n0.292623 0.798026 0.000000 Cl\n0.207377 0.298026 0.500000 Cl\n0.707377 0.201974 0.000000 Cl\n0.201974 0.292623 0.000000 Cl\n0.701974 0.207377 0.500000 Cl\n0.500000 0.500000 0.260648 Cl\n0.792623 0.701974 0.500000 Cl\n0.000000 0.000000 0.760648 Cl\n0.500000 0.500000 0.739352 Cl\n0.798026 0.707377 0.000000 Cl\n0.000000 0.000000 0.239352 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.662706895494102,
"density_atomic": 0.03760001904936661,
"volume": 478.7231617188028,
"volume_molar": 16.016323694127077,
"formula_full": "K4 Nb2 Cl12",
"formula_reduced": "K2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.369427756111111,
"spacegroup": 128
},
{
"id": "jvasp-48165",
"created_at": "2022-09-04T14:37:00.867399Z",
"updated_at": "2022-09-04T14:37:00.867418Z",
"structure_string": "Li3 Mn1 F6\n1.0\n4.881464 0.000000 0.099006\n-2.440732 4.294164 -0.049504\n0.061021 0.000000 4.906284\nLi Mn F\n3 1 6\ndirect\n0.320766 0.641556 0.499997 Li\n-0.000012 -0.000000 0.499998 Li\n0.679210 0.358443 0.499997 Li\n-0.000015 -0.000000 0.000005 Mn\n0.012182 0.693210 0.724532 F\n0.987799 0.306787 0.275469 F\n0.318972 0.306789 0.724532 F\n0.295890 -0.000000 0.227239 F\n0.681011 0.693212 0.275469 F\n0.704094 -0.000000 0.772766 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.06451956465989,
"density_atomic": 0.09725863388902074,
"volume": 102.81863522174017,
"volume_molar": 6.191882940564132,
"formula_full": "Li3 Mn1 F6",
"formula_reduced": "Li3MnF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.369498893637931,
"spacegroup": 12
},
{
"id": "jvasp-110623",
"created_at": "2022-09-04T14:38:37.447342Z",
"updated_at": "2022-09-04T14:38:37.447373Z",
"structure_string": "Li3 Mn1 F6\n1.0\n4.938507 0.002462 0.073774\n-2.529876 4.241296 0.073774\n0.004807 0.008469 4.906199\nLi Mn F\n3 1 6\ndirect\n0.320842 0.679159 0.499999 Li\n0.000000 0.000000 0.500000 Li\n0.679159 0.320842 0.499999 Li\n0.000000 0.000000 0.000000 Mn\n0.681013 0.987826 0.275374 F\n0.318988 0.012174 0.724624 F\n0.987826 0.681013 0.275374 F\n0.704049 0.704049 0.772561 F\n0.012175 0.318988 0.724624 F\n0.295952 0.295952 0.227438 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.0654324975260954,
"density_atomic": 0.09728760763238443,
"volume": 102.78801425343373,
"volume_molar": 6.190038902750643,
"formula_full": "Li3 Mn1 F6",
"formula_reduced": "Li3MnF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.369499893637931,
"spacegroup": 12
},
{
"id": "jvasp-36646",
"created_at": "2022-09-04T14:37:27.856632Z",
"updated_at": "2022-09-04T14:37:27.856651Z",
"structure_string": "Lu1 Tl1 Te2\n1.0\n-2.181773 -3.778943 -0.000000\n-4.363547 -0.000000 -0.000000\n-2.181773 -1.259647 -8.136285\nLu Tl Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Tl\n0.763506 0.763505 0.709482 Te\n0.236494 0.236494 0.290518 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tl",
"Te"
],
"chemical_system": "Lu-Te-Tl",
"density": 7.853784836188351,
"density_atomic": 0.029814246592350196,
"volume": 134.16404763440605,
"volume_molar": 20.198869494643457,
"formula_full": "Lu1 Tl1 Te2",
"formula_reduced": "LuTlTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3696684708333334,
"spacegroup": 166
},
{
"id": "jvasp-40476",
"created_at": "2022-09-04T14:37:49.846263Z",
"updated_at": "2022-09-04T14:37:49.846284Z",
"structure_string": "Li2 Cu2 S2\n1.0\n3.940261 0.000000 0.000000\n0.000000 3.940911 0.000000\n0.000000 0.000000 5.574274\nLi Cu S\n2 2 2\ndirect\n0.000000 0.749949 -0.080777 Li\n0.500000 0.250051 0.419223 Li\n0.000000 0.750059 0.419257 Cu\n0.500000 0.249940 0.919257 Cu\n0.000000 0.250018 0.669298 S\n0.500000 0.749982 0.169298 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 3.934715155618559,
"density_atomic": 0.0693172493734756,
"volume": 86.55854140536502,
"volume_molar": 8.687795338723273,
"formula_full": "Li2 Cu2 S2",
"formula_reduced": "LiCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3696934833333334,
"spacegroup": 216
},
{
"id": "jvasp-118005",
"created_at": "2022-09-04T14:38:49.434110Z",
"updated_at": "2022-09-04T14:38:49.434137Z",
"structure_string": "Cd2 O2\n1.0\n4.015627 -0.458270 -0.618562\n1.181189 -6.085158 -0.153969\n1.763463 -1.848273 -2.979866\nCd O\n2 2\ndirect\n0.158520 0.895071 -0.024156 Cd\n0.840892 0.513973 0.009696 Cd\n0.401761 0.243339 0.858673 O\n0.597618 0.165714 0.126864 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"O"
],
"chemical_system": "Cd-O",
"density": 6.57140075501756,
"density_atomic": 0.0616365969590655,
"volume": 64.89650949835057,
"volume_molar": 9.770397875793602,
"formula_full": "Cd2 O2",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
"energy_above_hull": 0.3698108750000003,
"spacegroup": 2
},
{
"id": "jvasp-91486",
"created_at": "2022-09-04T14:35:59.953971Z",
"updated_at": "2022-09-04T14:35:59.953999Z",
"structure_string": "Li12 Zr2 Be2 F24\n1.0\n6.251952 -0.000000 -2.080278\n-0.692193 6.213515 -2.080278\n-0.022389 -0.025022 10.367483\nLi Zr Be F\n12 2 2 24\ndirect\n0.853299 0.103299 0.206597 Li\n0.733665 0.000000 0.500000 Li\n0.396701 0.646700 0.293402 Li\n0.266335 0.500000 0.500000 Li\n0.500000 0.766335 -0.000000 Li\n0.733665 0.500000 0.500000 Li\n0.000000 0.766335 -0.000000 Li\n0.000000 0.233665 -0.000000 Li\n0.266335 0.000000 0.500000 Li\n0.500000 0.233665 -0.000000 Li\n0.603299 0.353299 0.706597 Li\n0.146701 0.896700 0.793402 Li\n0.875000 0.625000 0.250000 Zr\n0.125000 0.375000 0.750000 Zr\n0.375000 0.125000 0.250000 Be\n0.625000 0.875000 0.749999 Be\n0.425735 0.981882 0.351471 F\n0.922246 0.385104 0.344492 F\n0.922246 0.959386 0.344492 F\n0.210617 0.231612 0.921236 F\n0.789382 0.310376 0.078764 F\n0.518117 0.074265 0.148529 F\n0.869588 0.925735 0.851470 F\n0.574265 0.630411 0.648529 F\n0.885104 0.422246 0.844492 F\n0.481883 0.925735 0.851470 F\n0.114896 0.577753 0.155507 F\n0.540613 0.577753 0.155507 F\n0.459387 0.422246 0.844492 F\n0.731612 0.710617 0.421235 F\n0.810376 0.289383 0.578764 F\n0.189624 0.710617 0.421236 F\n0.210618 0.689623 0.921235 F\n0.789383 0.768387 0.078764 F\n0.077754 0.614895 0.655507 F\n0.574265 0.018118 0.648529 F\n0.425735 0.369588 0.351471 F\n0.130412 0.074265 0.148529 F\n0.268388 0.289383 0.578764 F\n0.077754 0.040613 0.655507 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Zr",
"Be",
"F"
],
"chemical_system": "Be-F-Li-Zr",
"density": 3.054893714101297,
"density_atomic": 0.09948007205272266,
"volume": 402.0905813055776,
"volume_molar": 6.053615197231032,
"formula_full": "Li12 Zr2 Be2 F24",
"formula_reduced": "Li6ZrBeF12",
"formula_anonymous": "ABC6D12",
"energy_above_hull": 0.3698571994999996,
"spacegroup": 141
},
{
"id": "jvasp-37611",
"created_at": "2022-09-04T14:37:47.740605Z",
"updated_at": "2022-09-04T14:37:47.740620Z",
"structure_string": "Tm1 Mg2\n1.0\n-1.874982 -0.000000 -2.643232\n0.000000 -5.173226 -0.000000\n-3.653369 2.586611 2.592923\nTm Mg\n1 2\ndirect\n0.666666 0.416667 0.666667 Tm\n0.166579 0.083333 0.000000 Mg\n0.166753 0.750000 0.333334 Mg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 4.809687301271047,
"density_atomic": 0.03994307265155205,
"volume": 75.10689090373297,
"volume_molar": 15.076808968941453,
"formula_full": "Tm1 Mg2",
"formula_reduced": "TmMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3698872152777777,
"spacegroup": 191
},
{
"id": "jvasp-91244",
"created_at": "2022-09-04T14:36:12.005235Z",
"updated_at": "2022-09-04T14:36:12.005266Z",
"structure_string": "U4 F20\n1.0\n5.492859 -0.000000 1.763102\n2.746430 8.219682 0.881551\n0.234308 -0.000000 8.707943\nU F\n4 20\ndirect\n0.196534 0.178466 0.678465 U\n0.625000 0.321534 0.178466 U\n0.053466 0.821534 0.321534 U\n0.125000 0.678466 0.821534 U\n0.375228 0.888180 0.227656 F\n0.397115 0.227657 0.111820 F\n0.736593 0.772343 0.888179 F\n0.491066 0.111820 0.772343 F\n0.130951 0.445044 0.716743 F\n0.292738 0.554956 0.283257 F\n0.424006 0.283257 0.445043 F\n0.152307 0.716743 0.554956 F\n0.513408 0.611820 0.727656 F\n0.119049 0.783257 0.054956 F\n0.097694 0.945044 0.783257 F\n0.877476 0.997525 0.497524 F\n0.625000 0.497525 0.002475 F\n0.125000 0.502475 0.997524 F\n0.372525 0.002475 0.502475 F\n0.758935 0.727656 0.388180 F\n0.874773 0.272343 0.611819 F\n0.852885 0.388180 0.272343 F\n0.957263 0.216743 0.945043 F\n0.825995 0.054956 0.216743 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"U",
"F"
],
"chemical_system": "F-U",
"density": 5.675168418213154,
"density_atomic": 0.061575703617490186,
"volume": 389.7641210742568,
"volume_molar": 9.780060001278573,
"formula_full": "U4 F20",
"formula_reduced": "UF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.3701029020833331,
"spacegroup": 122
},
{
"id": "jvasp-8055",
"created_at": "2022-09-04T14:36:30.715285Z",
"updated_at": "2022-09-04T14:36:30.715308Z",
"structure_string": "Ba1 Cu2 S2\n1.0\n3.758000 0.000000 -1.112168\n-0.329143 3.743559 -1.112168\n0.000602 0.000658 6.907233\nBa Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750001 0.500000 Cu\n0.750000 0.250000 0.499999 Cu\n0.638219 0.638219 0.276436 S\n0.361781 0.361782 0.723563 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"S"
],
"chemical_system": "Ba-Cu-S",
"density": 5.614086685704843,
"density_atomic": 0.05145171690043198,
"volume": 97.17848696236648,
"volume_molar": 11.704450546623914,
"formula_full": "Ba1 Cu2 S2",
"formula_reduced": "Ba(CuS)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.370119374,
"spacegroup": 139
}
]
}