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"results": [
{
"id": "jvasp-5683",
"created_at": "2022-09-04T14:36:50.627997Z",
"updated_at": "2022-09-04T14:36:50.628013Z",
"structure_string": "Ga2 Te2 I14\n1.0\n0.000000 7.236260 -0.131466\n7.211841 0.000000 0.000000\n0.000000 -3.787686 -15.378462\nGa Te I\n2 2 14\ndirect\n0.285443 0.490624 0.806823 Ga\n0.285443 0.509376 0.306823 Ga\n0.004778 0.084771 0.654878 Te\n0.004779 0.915229 0.154878 Te\n0.706034 0.125563 0.187305 I\n0.706034 0.874437 0.687305 I\n0.789038 0.669076 0.035513 I\n0.789038 0.330924 0.535512 I\n0.944444 0.616519 0.309703 I\n0.944444 0.383480 0.809703 I\n0.370818 0.378129 0.663968 I\n0.130179 0.862878 0.536643 I\n0.516244 0.678587 0.432465 I\n0.516244 0.321413 0.932465 I\n0.319320 0.156872 0.328653 I\n0.319320 0.843128 0.828653 I\n0.370819 0.621871 0.163968 I\n0.130179 0.137122 0.036643 I\n",
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"elements": [
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"density_atomic": 0.022328539072901298,
"volume": 806.1432027071326,
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"formula_full": "Ga2 Te2 I14",
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{
"id": "jvasp-11372",
"created_at": "2022-09-04T14:36:53.272332Z",
"updated_at": "2022-09-04T14:36:53.272359Z",
"structure_string": "Zn2 Ag4 Ge2 O8\n1.0\n0.000000 5.641364 -0.010798\n5.580096 0.000000 0.000000\n0.000000 -5.555581 -7.149651\nZn Ag Ge O\n2 4 2 8\ndirect\n0.994507 0.815389 0.497686 Zn\n0.994507 0.184611 0.997686 Zn\n0.525473 0.192568 0.513426 Ag\n0.525473 0.807433 0.013426 Ag\n0.734265 0.297065 0.234768 Ag\n0.734265 0.702935 0.734768 Ag\n0.249078 0.680016 0.249344 Ge\n0.249078 0.319985 0.749344 Ge\n0.596325 0.297515 0.784952 O\n0.596325 0.702486 0.284952 O\n0.289212 0.797591 0.447108 O\n0.289212 0.202409 0.947108 O\n0.142262 0.628099 0.723629 O\n0.966876 0.159385 0.541089 O\n0.142262 0.371902 0.223629 O\n0.966876 0.840615 0.041089 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Ge",
"O"
],
"chemical_system": "Ag-Ge-O-Zn",
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"density_atomic": 0.07098455960534786,
"volume": 225.40113073822025,
"volume_molar": 8.483733354804532,
"formula_full": "Zn2 Ag4 Ge2 O8",
"formula_reduced": "ZnAg2GeO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 7
},
{
"id": "jvasp-11507",
"created_at": "2022-09-04T14:37:05.677192Z",
"updated_at": "2022-09-04T14:37:05.677220Z",
"structure_string": "Mo4 O12\n1.0\n5.303206 -0.097906 -0.018819\n0.101296 5.382209 -0.020876\n0.091385 0.028247 7.553659\nMo O\n4 12\ndirect\n0.472778 0.005007 0.974804 Mo\n0.957048 0.490427 0.990692 Mo\n0.972838 0.494812 0.474805 Mo\n0.457042 0.009480 0.490688 Mo\n0.299418 0.291975 0.544220 O\n0.800880 0.213249 0.467656 O\n0.224030 0.788853 0.968723 O\n0.719914 0.710581 0.043732 O\n0.724128 0.711272 0.468530 O\n0.219915 0.789477 0.543479 O\n0.799430 0.208043 0.043980 O\n0.300889 0.286803 0.967449 O\n0.938068 0.489410 0.757876 O\n0.438128 0.011080 0.257870 O\n0.087799 0.510947 0.252741 O\n0.587719 0.988579 0.752747 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.432539863349754,
"density_atomic": 0.07418011060476801,
"volume": 215.69123946509163,
"volume_molar": 8.118268779735306,
"formula_full": "Mo4 O12",
"formula_reduced": "MoO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7753291,
"spacegroup": 7
},
{
"id": "jvasp-32451",
"created_at": "2022-09-04T14:37:06.288962Z",
"updated_at": "2022-09-04T14:37:06.288970Z",
"structure_string": "H10 C2 N2 O4\n1.0\n3.676312 0.000000 -0.023144\n0.000000 4.682964 0.000000\n0.131135 0.000000 9.080268\nH C N O\n10 2 2 4\ndirect\n0.826134 0.963787 0.586726 H\n0.488939 0.438813 0.271239 H\n0.158114 0.261841 0.020400 H\n0.850948 0.107199 0.901462 H\n0.488938 0.561186 0.771239 H\n0.173029 0.901488 0.989875 H\n0.173029 0.098511 0.489875 H\n0.850948 0.892800 0.401462 H\n0.158113 0.738158 0.520400 H\n0.826135 0.036213 0.086727 H\n0.496424 0.620018 0.191496 C\n0.496423 0.379981 0.691496 C\n0.002081 0.078534 0.998103 N\n0.002081 0.921465 0.498103 N\n0.404245 0.569795 0.059694 O\n0.597379 0.861805 0.239509 O\n0.597379 0.138194 0.739509 O\n0.404245 0.430204 0.559694 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.3394715419307774,
"density_atomic": 0.11513335873531408,
"volume": 156.34044031826704,
"volume_molar": 5.23057854487213,
"formula_full": "H10 C2 N2 O4",
"formula_reduced": "H5CNO2",
"formula_anonymous": "ABC2D5",
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"spacegroup": 7
},
{
"id": "jvasp-48622",
"created_at": "2022-09-04T14:37:06.895798Z",
"updated_at": "2022-09-04T14:37:06.895816Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n0.000000 5.029563 -0.023697\n5.402455 0.000000 0.000000\n0.000000 -4.975554 -6.266187\nLi Fe Si O\n2 2 2 8\ndirect\n0.240485 0.338834 0.756655 Li\n0.240484 0.661167 0.256655 Li\n0.991167 0.167898 0.008483 Fe\n0.991167 0.832103 0.508483 Fe\n0.737558 0.665810 0.759631 Si\n0.737558 0.334191 0.259631 Si\n0.026824 0.828647 0.973211 O\n0.876497 0.380732 0.785424 O\n0.385309 0.667859 0.733321 O\n0.652503 0.782298 0.540120 O\n0.026823 0.171354 0.473211 O\n0.876497 0.619269 0.285424 O\n0.385309 0.332142 0.233321 O\n0.652502 0.217702 0.040119 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0095210912535277,
"density_atomic": 0.08191841850044014,
"volume": 170.90173682887664,
"volume_molar": 7.351387966514079,
"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4401225857142856,
"spacegroup": 7
},
{
"id": "jvasp-31920",
"created_at": "2022-09-04T14:37:07.623604Z",
"updated_at": "2022-09-04T14:37:07.623622Z",
"structure_string": "Fe2 Se2 Br14\n1.0\n6.489716 0.000000 0.000000\n0.000000 6.411474 -1.260008\n0.000000 0.037224 14.391633\nFe Se Br\n2 2 14\ndirect\n0.504171 0.557452 0.139910 Fe\n0.495829 0.557452 0.639910 Fe\n0.919215 0.842112 0.301619 Se\n0.080786 0.842111 0.801619 Se\n0.126160 0.118507 0.266562 Br\n0.343672 0.333171 0.511402 Br\n0.625422 0.472410 0.282607 Br\n0.656328 0.333171 0.011402 Br\n0.873840 0.118506 0.766562 Br\n0.620081 0.898617 0.141167 Br\n0.379919 0.898617 0.641167 Br\n0.132231 0.699055 0.407140 Br\n0.686891 0.041893 0.413113 Br\n0.313109 0.041892 0.913113 Br\n0.867770 0.699054 0.907140 Br\n0.145301 0.533480 0.129278 Br\n0.374578 0.472409 0.782607 Br\n0.854700 0.533480 0.629277 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Br"
],
"chemical_system": "Br-Fe-Se",
"density": 3.8477551853951155,
"density_atomic": 0.030044027599940126,
"volume": 599.1207383938055,
"volume_molar": 20.04438566023685,
"formula_full": "Fe2 Se2 Br14",
"formula_reduced": "FeSeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.5257008446296298,
"spacegroup": 7
},
{
"id": "jvasp-49176",
"created_at": "2022-09-04T14:37:09.720358Z",
"updated_at": "2022-09-04T14:37:09.720368Z",
"structure_string": "Sn4 P4 S12\n1.0\n0.000000 6.625905 -0.061615\n7.508434 0.000000 0.000000\n0.000000 -6.472264 -9.366669\nSn P S\n4 4 12\ndirect\n0.753386 0.132137 0.466089 Sn\n0.753387 0.867863 0.966089 Sn\n0.200429 0.379274 0.971368 Sn\n0.200429 0.620725 0.471368 Sn\n0.870082 0.643459 0.683205 P\n0.870082 0.356541 0.183205 P\n0.129583 0.863448 0.816708 P\n0.129583 0.136551 0.316708 P\n0.900958 0.054463 0.808414 S\n0.900958 0.945537 0.308414 S\n0.293975 0.948660 0.719989 S\n0.293974 0.051340 0.219988 S\n0.365432 0.750884 0.010659 S\n0.717788 0.561173 0.789247 S\n0.092327 0.446192 0.694857 S\n0.092327 0.553808 0.194857 S\n0.630943 0.255771 0.986167 S\n0.717788 0.438826 0.289247 S\n0.365432 0.249115 0.510659 S\n0.630942 0.744228 0.486167 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"P",
"S"
],
"chemical_system": "P-S-Sn",
"density": 3.4823201386627307,
"density_atomic": 0.04264504563768875,
"volume": 468.98765614930994,
"volume_molar": 14.121548400168122,
"formula_full": "Sn4 P4 S12",
"formula_reduced": "SnPS3",
"formula_anonymous": "ABC3",
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"spacegroup": 7
},
{
"id": "jvasp-9788",
"created_at": "2022-09-04T14:37:11.995578Z",
"updated_at": "2022-09-04T14:37:11.995612Z",
"structure_string": "Na4 Zn2 Si2 O8\n1.0\n0.000000 5.292087 0.001584\n5.503005 0.000000 0.000000\n0.000000 -5.262404 -7.025551\nNa Zn Si O\n4 2 2 8\ndirect\n0.734961 0.677022 0.747096 Na\n0.484291 0.817131 0.992086 Na\n0.734961 0.322979 0.247096 Na\n0.484291 0.182870 0.492086 Na\n0.998173 0.812818 0.497647 Zn\n0.998174 0.187183 0.997647 Zn\n0.249483 0.686564 0.245285 Si\n0.249483 0.313437 0.745285 Si\n0.308053 0.208086 0.940475 O\n0.308053 0.791915 0.440475 O\n0.973450 0.159693 0.551982 O\n0.973449 0.840307 0.051982 O\n0.584799 0.291474 0.770921 O\n0.142697 0.397188 0.219009 O\n0.142697 0.602813 0.719009 O\n0.584799 0.708527 0.270921 O\n",
"nsites": 16,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Na-O-Si-Zn",
"density": 3.303490643904984,
"density_atomic": 0.07821860896037332,
"volume": 204.55490340036386,
"volume_molar": 7.699115133907461,
"formula_full": "Na4 Zn2 Si2 O8",
"formula_reduced": "Na2ZnSiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1363813749999998,
"spacegroup": 7
},
{
"id": "jvasp-34291",
"created_at": "2022-09-04T14:37:13.415396Z",
"updated_at": "2022-09-04T14:37:13.415427Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.304160 0.011656\n4.268538 0.000000 0.000000\n0.000000 -4.209095 -6.882113\nSi O\n4 8\ndirect\n0.305855 0.124101 0.880652 Si\n0.016182 0.538715 0.003894 Si\n0.016181 0.461285 0.503893 Si\n0.305856 0.875899 0.380652 Si\n0.980797 0.246210 0.660023 O\n0.340897 0.723954 0.579579 O\n0.340898 0.276046 0.079579 O\n0.661292 0.704977 0.389257 O\n0.142339 0.773389 0.881783 O\n0.142340 0.226611 0.381783 O\n0.980798 0.753790 0.160023 O\n0.661291 0.295024 0.889257 O\n",
"nsites": 12,
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"elements": [
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"volume": 126.23199854974968,
"volume_molar": 6.334890530689236,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 7
},
{
"id": "jvasp-51903",
"created_at": "2022-09-04T14:37:13.903933Z",
"updated_at": "2022-09-04T14:37:13.903955Z",
"structure_string": "Li8 C2 O8\n1.0\n0.000000 4.594971 0.004659\n5.459198 0.000000 0.000000\n0.000000 -4.434724 -6.097340\nLi C O\n8 2 8\ndirect\n0.352982 0.673471 0.958930 Li\n0.551500 0.933047 0.599876 Li\n0.776050 0.530140 0.360775 Li\n0.352982 0.326529 0.458930 Li\n0.928173 0.054682 0.964809 Li\n0.776050 0.469861 0.860775 Li\n0.551500 0.066954 0.099876 Li\n0.928173 0.945318 0.464809 Li\n0.142804 0.198834 0.744896 C\n0.142804 0.801166 0.244896 C\n0.450613 0.801054 0.244646 O\n0.212162 0.668071 0.427465 O\n0.840910 0.716499 0.046290 O\n0.212162 0.331929 0.927465 O\n0.840910 0.283502 0.546290 O\n0.069079 0.051574 0.271001 O\n0.450614 0.198946 0.744646 O\n0.069080 0.948426 0.771001 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.254908341544023,
"density_atomic": 0.11777167793844893,
"volume": 152.83810433105444,
"volume_molar": 5.113403209850975,
"formula_full": "Li8 C2 O8",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2150082222222225,
"spacegroup": 7
},
{
"id": "jvasp-42715",
"created_at": "2022-09-04T14:37:18.764757Z",
"updated_at": "2022-09-04T14:37:18.764793Z",
"structure_string": "Li4 V2 O2 F6\n1.0\n4.993222 0.001287 0.004293\n-0.002093 5.417839 -0.029610\n-0.004415 -2.706626 5.234915\nLi V O F\n4 2 2 6\ndirect\n0.994900 0.132376 0.587100 Li\n0.521423 0.066584 0.305374 Li\n0.525724 0.632708 0.587404 Li\n0.999453 0.566582 0.305342 Li\n0.981676 0.989933 0.011365 V\n0.539183 0.489964 0.011364 V\n0.808584 0.765336 0.127265 O\n0.712369 0.264975 0.126583 O\n0.659511 0.308245 0.639801 F\n0.171510 0.220687 0.353963 F\n0.324437 0.745665 0.891082 F\n0.196413 0.245496 0.890841 F\n0.861335 0.807953 0.639784 F\n0.349422 0.720592 0.353915 F\n",
"nsites": 14,
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"elements": [
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"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.241136183266939,
"density_atomic": 0.0991379497727163,
"volume": 141.21736461260704,
"volume_molar": 6.074506053238303,
"formula_full": "Li4 V2 O2 F6",
"formula_reduced": "Li2VOF3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 7
},
{
"id": "jvasp-50684",
"created_at": "2022-09-04T14:37:26.965956Z",
"updated_at": "2022-09-04T14:37:26.965974Z",
"structure_string": "Li2 Cu4 P2 O8\n1.0\n0.000000 5.183974 -0.057542\n5.321998 0.000000 0.000000\n0.000000 -5.074470 -6.221246\nLi Cu P O\n2 4 2 8\ndirect\n0.997746 0.179888 0.999290 Li\n0.997746 0.820112 0.499290 Li\n0.450469 0.839515 0.978722 Cu\n0.268933 0.267060 0.753570 Cu\n0.450468 0.160486 0.478722 Cu\n0.268933 0.732941 0.253570 Cu\n0.737245 0.665011 0.747211 P\n0.737244 0.334989 0.247211 P\n0.022339 0.818237 0.947941 O\n0.844121 0.390470 0.758062 O\n0.425222 0.677946 0.732458 O\n0.671261 0.797698 0.549518 O\n0.022339 0.181763 0.447940 O\n0.844121 0.609530 0.258062 O\n0.425221 0.322055 0.232457 O\n0.671261 0.202303 0.049518 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.39130486085285,
"density_atomic": 0.09238271540440587,
"volume": 173.19257103409342,
"volume_molar": 6.518687758460058,
"formula_full": "Li2 Cu4 P2 O8",
"formula_reduced": "LiCu2PO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6100238,
"spacegroup": 7
}
]
}