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=nsites&page=3846",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3844",
"results": [
{
"id": "jvasp-117399",
"created_at": "2022-09-04T14:38:26.451295Z",
"updated_at": "2022-09-04T14:38:26.451326Z",
"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n5.169246 -0.059539 1.767628\n-0.550260 5.136205 1.779199\n-0.020934 -0.042312 8.502245\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.006656 0.006655 0.986709 Ba\n0.506649 0.506633 0.986710 Ba\n0.247740 0.247731 0.504523 Y\n0.747732 0.747749 0.504524 Y\n0.362618 0.862608 0.274756 Mn\n0.867500 0.367505 0.265004 Mn\n0.138420 0.638426 0.723151 Co\n0.651393 0.151399 0.697217 Co\n0.097464 0.597448 0.314844 O\n0.587698 0.087703 0.314834 O\n0.408772 0.400201 0.691019 O\n0.900216 0.908797 0.690997 O\n0.484990 0.984949 0.030050 O\n0.408785 0.908785 0.690991 O\n-0.002007 0.498021 0.004014 O\n0.097485 0.087687 0.314814 O\n0.900218 0.400236 0.690995 O\n0.587682 0.597478 0.314848 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Mn",
"Co",
"O"
],
"chemical_system": "Ba-Co-Mn-O-Y",
"density": 6.17118215230401,
"density_atomic": 0.07961739597165947,
"volume": 226.08124493806935,
"volume_molar": 7.563850445628285,
"formula_full": "Ba2 Y2 Mn2 Co2 O10",
"formula_reduced": "BaYMnCoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.6492674512643672,
"spacegroup": 107
},
{
"id": "jvasp-44441",
"created_at": "2022-09-04T14:38:04.348983Z",
"updated_at": "2022-09-04T14:38:04.349003Z",
"structure_string": "Li8 Cr2 O8\n1.0\n3.916785 3.655702 -0.000000\n-3.916785 3.655702 -0.000000\n0.000000 -0.000000 6.091478\nLi Cr O\n8 2 8\ndirect\n0.160249 0.839750 0.500000 Li\n0.160249 0.839750 0.000000 Li\n0.126081 0.421618 0.750000 Li\n0.578381 0.873918 0.250000 Li\n0.873918 0.578381 0.250000 Li\n0.421618 0.126081 0.750000 Li\n0.839750 0.160249 0.000000 Li\n0.839750 0.160249 0.500000 Li\n0.659955 0.659955 0.750000 Cr\n0.340044 0.340044 0.250000 Cr\n0.264497 0.661093 0.250000 O\n0.338906 0.735503 0.750000 O\n0.204282 0.204282 0.496165 O\n0.795718 0.795718 0.503835 O\n0.795718 0.795718 0.996165 O\n0.204282 0.204282 0.003835 O\n0.735503 0.338906 0.750000 O\n0.661093 0.264497 0.250000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.7368879278898617,
"density_atomic": 0.10318565138850964,
"volume": 174.44285865122146,
"volume_molar": 5.8362191631913305,
"formula_full": "Li8 Cr2 O8",
"formula_reduced": "Li4CrO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.0215457111111115,
"spacegroup": 63
},
{
"id": "jvasp-12317",
"created_at": "2022-09-04T14:38:10.236390Z",
"updated_at": "2022-09-04T14:38:10.236419Z",
"structure_string": "Ba4 In4 O10\n1.0\n5.705268 0.000000 -1.910038\n-0.671025 5.809178 -2.004346\n0.006982 -0.011672 9.496671\nBa In O\n4 4 10\ndirect\n0.589293 0.123955 0.218491 Ba\n0.089292 0.594537 0.218490 Ba\n0.870801 0.405463 0.781509 Ba\n0.370800 0.876046 0.781509 Ba\n0.975304 -0.000000 -0.000000 In\n0.475303 0.500000 -0.000000 In\n0.255212 0.187755 0.500000 In\n0.755212 0.812246 0.499999 In\n0.737435 0.753828 0.016430 O\n0.100221 0.880931 0.500000 O\n0.237435 0.762604 0.016430 O\n0.089317 0.191417 0.274606 O\n0.814711 0.808583 0.725394 O\n0.589317 0.583189 0.274605 O\n0.314711 0.416812 0.725394 O\n0.600222 0.119070 0.500000 O\n0.221004 0.237397 0.983569 O\n0.721004 0.246173 0.983569 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"In",
"O"
],
"chemical_system": "Ba-In-O",
"density": 6.166533805546109,
"density_atomic": 0.05720161689720534,
"volume": 314.6764195904996,
"volume_molar": 10.527920514593392,
"formula_full": "Ba4 In4 O10",
"formula_reduced": "Ba2In2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.1421654866666668,
"spacegroup": 46
},
{
"id": "jvasp-112283",
"created_at": "2022-09-04T14:38:26.233886Z",
"updated_at": "2022-09-04T14:38:26.233902Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.811764 0.006439 0.120790\n0.211590 5.763234 0.319873\n0.000468 -0.035931 8.062701\nMn O F\n6 2 10\ndirect\n0.515677 0.493152 0.993672 Mn\n0.494834 0.168487 0.335289 Mn\n0.516894 0.820582 0.660541 Mn\n0.981580 0.667551 0.347907 Mn\n0.973794 0.347401 0.677011 Mn\n0.995167 0.015467 0.991154 Mn\n0.798913 0.613523 0.574198 O\n0.808095 0.301842 0.888637 O\n0.190846 0.354546 0.456074 F\n0.301008 0.204200 0.102000 F\n0.299790 0.550961 0.771384 F\n0.307398 0.858317 0.428407 F\n0.806942 0.968982 0.229110 F\n0.695445 0.467253 0.231767 F\n0.693177 0.806599 0.903140 F\n0.212010 0.049117 0.749718 F\n0.710906 0.108915 0.559496 F\n0.197516 0.703105 0.100491 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.0958807996285715,
"density_atomic": 0.08048921991443812,
"volume": 223.63243200933505,
"volume_molar": 7.48192213367414,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6341874040708813,
"spacegroup": 1
},
{
"id": "jvasp-111658",
"created_at": "2022-09-04T14:38:26.623917Z",
"updated_at": "2022-09-04T14:38:26.623938Z",
"structure_string": "Li3 Co3 B3 O9\n1.0\n8.191816 0.000000 -0.000000\n-4.095909 7.094321 -0.000000\n-0.000000 0.000000 3.009662\nLi Co B O\n3 3 3 9\ndirect\n0.043837 0.696392 0.000000 Li\n0.303608 0.347445 0.000000 Li\n0.652555 0.956162 0.000000 Li\n0.963133 0.319256 0.500000 Co\n0.680744 0.643876 0.500000 Co\n0.356124 0.036868 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.500000 B\n0.446366 0.861151 0.500000 O\n0.771607 0.242590 0.000000 O\n0.805917 0.916299 0.500000 O\n0.757410 0.529017 0.000000 O\n0.110381 0.194083 0.500000 O\n0.083701 0.889618 0.500000 O\n0.138849 0.585215 0.500000 O\n0.470984 0.228393 0.000000 O\n0.414785 0.553634 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Co",
"B",
"O"
],
"chemical_system": "B-Co-Li-O",
"density": 3.551159853542612,
"density_atomic": 0.10291146390432342,
"volume": 174.90762755774773,
"volume_molar": 5.8517686286133985,
"formula_full": "Li3 Co3 B3 O9",
"formula_reduced": "LiCoBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.582870663888889,
"spacegroup": 174
},
{
"id": "jvasp-54972",
"created_at": "2022-09-04T14:38:09.833236Z",
"updated_at": "2022-09-04T14:38:09.833254Z",
"structure_string": "Mg3 Ni9 B6\n1.0\n2.441809 -4.229336 0.000000\n2.441809 4.229336 -0.000000\n0.000000 0.000000 8.791179\nMg Ni B\n3 9 6\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.166667 Mg\n-0.000000 0.500000 0.333333 Ni\n0.500000 0.500000 0.375999 Ni\n-0.000000 0.500000 0.042665 Ni\n0.500000 0.500000 0.957335 Ni\n0.500000 -0.000000 0.000000 Ni\n0.500000 -0.000000 0.290668 Ni\n0.500000 -0.000000 0.709333 Ni\n-0.000000 0.500000 0.624001 Ni\n0.500000 0.500000 0.666667 Ni\n0.389497 0.778996 0.500000 B\n0.778996 0.389497 0.833333 B\n0.610503 0.389497 0.166667 B\n0.389497 0.610503 0.166667 B\n0.610503 0.221005 0.500000 B\n0.221005 0.610503 0.833333 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"B"
],
"chemical_system": "B-Mg-Ni",
"density": 6.090829097541384,
"density_atomic": 0.09913146109632594,
"volume": 181.57706747113733,
"volume_molar": 6.074903661662257,
"formula_full": "Mg3 Ni9 B6",
"formula_reduced": "MgNi3B2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.010610236111111,
"spacegroup": 181
},
{
"id": "jvasp-21785",
"created_at": "2022-09-04T14:38:09.850483Z",
"updated_at": "2022-09-04T14:38:09.850510Z",
"structure_string": "Li3 B3 F12\n1.0\n2.390977 -4.141294 -0.000000\n2.390977 4.141294 0.000000\n0.000000 -0.000000 10.919566\nLi B F\n3 3 12\ndirect\n0.549072 0.000001 0.333333 Li\n0.000001 0.549072 0.666667 Li\n0.450929 0.450929 0.000000 Li\n0.442355 0.442355 0.500000 B\n0.557646 0.000001 0.833333 B\n0.000001 0.557646 0.166667 B\n0.403495 0.138953 0.467119 F\n0.264544 0.861048 0.199548 F\n0.138953 0.403495 0.532882 F\n0.596506 0.735458 0.866215 F\n0.427043 0.082149 0.934191 F\n0.572958 0.655106 0.399143 F\n0.917852 0.344896 0.267524 F\n0.861048 0.264544 0.800452 F\n0.344896 0.917852 0.732476 F\n0.082149 0.427043 0.065809 F\n0.655106 0.572958 0.600857 F\n0.735458 0.596506 0.133786 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"B",
"F"
],
"chemical_system": "B-F-Li",
"density": 2.15960572277832,
"density_atomic": 0.08323877308848517,
"volume": 216.24537859136262,
"volume_molar": 7.234778380981535,
"formula_full": "Li3 B3 F12",
"formula_reduced": "LiBF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3361639522222225,
"spacegroup": 152
},
{
"id": "jvasp-117331",
"created_at": "2022-09-04T14:38:26.135918Z",
"updated_at": "2022-09-04T14:38:26.135939Z",
"structure_string": "Lu3 Al9 Ni6\n1.0\n8.906755 -0.000000 0.000000\n-4.453377 7.713476 0.000000\n-0.000000 -0.000000 4.034384\nLu Al Ni\n3 9 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666666 0.333334 0.500000 Lu\n0.333333 0.666667 0.500000 Lu\n-0.000000 0.703028 0.500000 Al\n0.703027 0.000000 0.500000 Al\n0.296972 0.296973 0.500000 Al\n0.296972 0.000000 0.500000 Al\n-0.000000 0.296973 0.500000 Al\n-0.000000 0.500000 -0.000000 Al\n0.500000 0.000000 -0.000000 Al\n0.500000 0.500000 -0.000000 Al\n0.703027 0.703028 0.500000 Al\n0.635157 0.817578 -0.000000 Ni\n0.817577 0.182422 -0.000000 Ni\n0.817577 0.635157 -0.000000 Ni\n0.364843 0.182422 -0.000000 Ni\n0.182422 0.817578 -0.000000 Ni\n0.182422 0.364843 -0.000000 Ni\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Ni"
],
"chemical_system": "Al-Lu-Ni",
"density": 6.7093373253461115,
"density_atomic": 0.06494199613507037,
"volume": 277.17041469687024,
"volume_molar": 9.273106954511809,
"formula_full": "Lu3 Al9 Ni6",
"formula_reduced": "LuAl3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4525781583333337,
"spacegroup": 191
},
{
"id": "jvasp-42912",
"created_at": "2022-09-04T14:38:09.999363Z",
"updated_at": "2022-09-04T14:38:09.999374Z",
"structure_string": "Co6 O2 F10\n1.0\n4.661534 -0.001853 0.006528\n-0.038390 5.624900 -0.100772\n-0.034256 -0.337354 7.660326\nCo O F\n6 2 10\ndirect\n0.490264 0.519290 0.003654 Co\n0.472576 0.828332 0.324403 Co\n0.502636 0.160551 0.674924 Co\n0.014869 0.663896 0.640215 Co\n0.015502 0.356543 0.342056 Co\n0.016020 0.980730 0.013145 Co\n0.209785 0.644787 0.423688 O\n0.300866 0.797532 0.106829 O\n0.785585 0.033445 0.240785 F\n0.705088 0.198348 0.909167 F\n0.711872 0.529883 0.228800 F\n0.685104 0.862854 0.554108 F\n0.196123 0.962468 0.766655 F\n0.298308 0.463573 0.768065 F\n0.203153 0.295833 0.104666 F\n0.803716 0.700193 0.885191 F\n0.294167 0.140384 0.442606 F\n0.794349 0.361372 0.571051 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.762187160564379,
"density_atomic": 0.08968558844779409,
"volume": 200.70114175007933,
"volume_molar": 6.7147251461760575,
"formula_full": "Co6 O2 F10",
"formula_reduced": "Co3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.3294997347222224,
"spacegroup": 1
},
{
"id": "jvasp-12894",
"created_at": "2022-09-04T14:38:18.427534Z",
"updated_at": "2022-09-04T14:38:18.427552Z",
"structure_string": "Ca6 Al4 As8\n1.0\n8.287339 0.128175 0.243787\n0.235909 7.284702 2.730040\n0.187777 0.886840 7.730065\nCa Al As\n6 4 8\ndirect\n0.250000 0.847946 0.152054 Ca\n0.635359 0.639698 0.090902 Ca\n0.364642 0.360302 0.909098 Ca\n0.135359 0.090901 0.639698 Ca\n0.750000 0.152054 0.847946 Ca\n0.864642 0.909098 0.360302 Ca\n0.456173 0.807493 0.583284 Al\n0.543828 0.192506 0.416716 Al\n0.043828 0.416716 0.192506 Al\n0.956173 0.583284 0.807494 Al\n0.038815 0.228436 -0.004964 As\n0.669926 0.557631 0.738321 As\n0.830075 0.261678 0.442369 As\n0.169926 0.738321 0.557631 As\n0.330075 0.442369 0.261679 As\n0.961186 0.771563 0.004964 As\n0.538815 -0.004964 0.228436 As\n0.461186 0.004963 0.771564 As\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Al",
"As"
],
"chemical_system": "Al-As-Ca",
"density": 3.5274817966770504,
"density_atomic": 0.04034471266376793,
"volume": 446.1551170288821,
"volume_molar": 14.926716197456672,
"formula_full": "Ca6 Al4 As8",
"formula_reduced": "Ca3(AlAs2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.3882148733333333,
"spacegroup": 15
},
{
"id": "jvasp-46172",
"created_at": "2022-09-04T14:38:08.700537Z",
"updated_at": "2022-09-04T14:38:08.700560Z",
"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Sr",
"density": 4.505879917612073,
"density_atomic": 0.07832110530608075,
"volume": 229.82310999896606,
"volume_molar": 7.689039546192984,
"formula_full": "Sr4 Li4 Ni2 O8",
"formula_reduced": "Sr2Li2NiO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.202829891111111,
"spacegroup": 2
},
{
"id": "jvasp-44749",
"created_at": "2022-09-04T14:38:09.182172Z",
"updated_at": "2022-09-04T14:38:09.182201Z",
"structure_string": "Li4 Ti1 V3 O10\n1.0\n6.644193 0.000000 0.000000\n0.000000 6.644193 0.000000\n0.000000 0.000000 4.519162\nLi Ti V O\n4 1 3 10\ndirect\n0.751019 0.751019 0.000000 Li\n0.751019 0.248980 0.000000 Li\n0.248980 0.248980 0.000000 Li\n0.248980 0.751019 0.000000 Li\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.606579 V\n0.500000 0.000000 0.393420 V\n0.000000 0.000000 0.500000 V\n0.500000 0.279045 0.258191 O\n0.500000 0.720955 0.258191 O\n0.279045 0.500000 0.741809 O\n0.217491 0.000000 0.264851 O\n0.782508 0.000000 0.264851 O\n0.000000 0.217491 0.735148 O\n0.000000 0.500000 0.235851 O\n0.500000 0.000000 0.764149 O\n0.000000 0.782508 0.735148 O\n0.720955 0.500000 0.741809 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.233264811124479,
"density_atomic": 0.09022567016977869,
"volume": 199.49976504612482,
"volume_molar": 6.674531481637175,
"formula_full": "Li4 Ti1 V3 O10",
"formula_reduced": "Li4TiV3O10",
"formula_anonymous": "AB3C4D10",
"energy_above_hull": 2.913665885185185,
"spacegroup": 115
}
]
}