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{
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"results": [
{
"id": "jvasp-120745",
"created_at": "2022-09-04T14:38:49.124522Z",
"updated_at": "2022-09-04T14:38:49.124548Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.046477 -0.000201 -0.000105\n0.000269 8.115140 -2.609497\n0.000182 -0.006872 8.329274\nLi Co P O\n4 4 4 16\ndirect\n0.827841 0.986556 0.108771 Li\n0.172160 0.986556 0.608772 Li\n0.321691 0.497325 0.251024 Li\n0.678309 0.497326 0.751023 Li\n0.326885 0.247001 0.486482 Co\n0.176865 0.741581 0.847164 Co\n0.673114 0.247001 0.986482 Co\n0.823136 0.741581 0.347163 Co\n0.183591 0.369217 0.862967 P\n0.816408 0.369216 0.362966 P\n0.681994 0.864594 0.729114 P\n0.318007 0.864595 0.229115 P\n0.881168 0.394953 0.894354 O\n0.118831 0.394952 0.394354 O\n0.305179 0.519871 0.821328 O\n0.694821 0.519871 0.321327 O\n0.244893 0.216068 0.709844 O\n0.755107 0.216068 0.209844 O\n0.807457 0.710267 0.761814 O\n0.815063 0.897748 0.574812 O\n0.380443 0.836268 0.696325 O\n0.619559 0.836269 0.196325 O\n0.682761 0.345302 0.521792 O\n0.317238 0.345301 0.021793 O\n0.260462 0.012052 0.387994 O\n0.184938 0.897749 0.074813 O\n0.192545 0.710266 0.261815 O\n0.739538 0.012052 0.887993 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Co-Li-O-P",
"density": 3.1328667734545537,
"density_atomic": 0.08210730551303425,
"volume": 341.0171582789926,
"volume_molar": 7.334476174040332,
"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 7
},
{
"id": "jvasp-116824",
"created_at": "2022-09-04T14:38:45.914656Z",
"updated_at": "2022-09-04T14:38:45.914685Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.172449 -0.000290 -0.002530\n-0.000380 8.960217 0.006643\n-0.002614 0.000660 9.565736\nLi Mn P O\n4 4 4 16\ndirect\n0.499898 0.499943 0.239346 Li\n0.999883 -0.000057 0.239410 Li\n-0.000112 0.999895 0.739397 Li\n0.499878 0.499897 0.739346 Li\n0.499817 0.833366 0.122621 Mn\n0.499873 0.166679 0.622620 Mn\n0.999869 0.333363 0.122628 Mn\n-0.000170 0.666679 0.622626 Mn\n0.000050 0.666647 0.259223 P\n0.500117 0.166650 0.259219 P\n0.500018 0.833338 0.759222 P\n0.000083 0.333340 0.759227 P\n0.148674 0.527781 0.203165 O\n0.648676 0.027776 0.203127 O\n0.782614 0.838242 0.702999 O\n0.282603 0.338254 0.702898 O\n0.717007 0.661746 0.203454 O\n0.217003 0.161754 0.203557 O\n0.350962 0.972185 0.703097 O\n0.500785 0.833601 0.918475 O\n0.365760 0.689415 0.703611 O\n0.865753 0.189413 0.703679 O\n0.000784 0.666558 0.418478 O\n0.501105 0.166578 0.418473 O\n0.633802 0.310555 0.203020 O\n0.001107 0.333606 0.918480 O\n0.850964 0.472182 0.703148 O\n0.133806 0.810560 0.203093 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.3499665711347446,
"density_atomic": 0.06315750672098026,
"volume": 443.33605700585224,
"volume_molar": 9.535114783116525,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.553582391625616,
"spacegroup": 173
},
{
"id": "jvasp-117156",
"created_at": "2022-09-04T14:38:48.816973Z",
"updated_at": "2022-09-04T14:38:48.816991Z",
"structure_string": "Mn4 Tl4 O4 F16\n1.0\n7.689823 -0.186250 1.399126\n4.484675 6.249460 1.399126\n0.212805 0.105982 8.179185\nMn Tl O F\n4 4 4 16\ndirect\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.250022 0.749978 0.250001 Mn\n0.749979 0.250021 0.750001 Mn\n0.637171 0.137140 0.375669 Tl\n0.862860 0.362829 0.124332 Tl\n0.362830 0.862860 0.624332 Tl\n0.137141 0.637170 0.875670 Tl\n0.499087 -0.001007 0.798443 O\n0.001007 0.500913 0.701558 O\n0.500914 0.001006 0.201558 O\n-0.001006 0.499086 0.298443 O\n0.490855 0.632720 0.343479 F\n0.367281 0.509146 0.156522 F\n0.867243 0.009181 0.656525 F\n-0.009181 0.132756 0.843476 F\n0.132757 -0.009182 0.343476 F\n0.009182 0.867243 0.156525 F\n0.759964 0.740056 0.000045 F\n0.354543 0.854507 0.052908 F\n0.240036 0.259944 -0.000044 F\n0.740057 0.759963 0.500045 F\n0.645458 0.145492 0.947094 F\n0.854508 0.354542 0.552908 F\n0.632721 0.490854 0.843479 F\n0.145493 0.645457 0.447093 F\n0.259944 0.240036 0.499956 F\n0.509146 0.367280 0.656523 F\n",
"nsites": 28,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O-Tl",
"density": 5.870262475716664,
"density_atomic": 0.07043857533280128,
"volume": 397.50945937944294,
"volume_molar": 8.549492563623243,
"formula_full": "Mn4 Tl4 O4 F16",
"formula_reduced": "MnTlOF4",
"formula_anonymous": "ABCD4",
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"spacegroup": 12
},
{
"id": "jvasp-112798",
"created_at": "2022-09-04T14:38:42.491641Z",
"updated_at": "2022-09-04T14:38:42.491669Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.590657 -0.000001 -0.000030\n0.000001 6.298502 -0.000008\n-0.000019 0.000013 8.383821\nLi Mn P O\n4 4 4 16\ndirect\n0.000006 0.000001 0.500000 Li\n0.499995 -0.000001 0.000000 Li\n0.000006 0.499999 0.500000 Li\n0.499995 0.500000 0.000000 Li\n0.500013 0.249998 0.680231 Mn\n0.500002 0.750001 0.319769 Mn\n0.000005 0.249999 0.180229 Mn\n0.999984 0.750001 0.819770 Mn\n0.500003 0.250001 0.350896 P\n0.000003 0.250000 0.850893 P\n0.499997 0.749998 0.649104 P\n-0.000004 0.750000 0.149105 P\n0.499998 0.052869 0.240845 O\n0.999999 0.052868 0.740843 O\n0.499999 0.947129 0.759155 O\n1.000000 0.947131 0.259156 O\n0.500000 0.552866 0.759154 O\n1.000000 0.552867 0.259156 O\n0.222388 0.750000 0.035979 O\n0.777609 0.250000 0.964019 O\n0.222399 0.249999 0.964018 O\n0.722400 0.250000 0.464019 O\n0.777599 0.750000 0.035983 O\n0.277603 0.749999 0.535978 O\n1.000000 0.447133 0.740844 O\n0.277610 0.250000 0.464023 O\n0.722393 0.749999 0.535980 O\n0.499998 0.447133 0.240846 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.5290078287466913,
"density_atomic": 0.09484532180167816,
"volume": 295.2175127682953,
"volume_molar": 6.349433631099184,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.549773820197045,
"spacegroup": 63
},
{
"id": "jvasp-12637",
"created_at": "2022-09-04T14:37:19.349333Z",
"updated_at": "2022-09-04T14:37:19.349360Z",
"structure_string": "Fe2 Mo2 Cl2 O8\n1.0\n6.579690 0.000000 -0.000000\n0.000000 6.579690 0.000000\n-0.000000 -0.000000 4.859335\nFe Mo Cl O\n2 2 2 8\ndirect\n0.500000 0.000000 0.234805 Fe\n0.000000 0.500000 0.765196 Fe\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.500000 0.000000 0.720835 Cl\n0.000000 0.500000 0.279166 Cl\n0.500000 0.717735 0.219006 O\n0.500000 0.282265 0.219006 O\n0.782265 0.000000 0.219006 O\n0.217735 0.000000 0.219006 O\n0.717735 0.500000 0.780995 O\n0.000000 0.782265 0.780995 O\n0.282265 0.500000 0.780995 O\n0.000000 0.217735 0.780995 O\n",
"nsites": 14,
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"elements": [
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"Cl",
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],
"chemical_system": "Cl-Fe-Mo-O",
"density": 3.9661813396716155,
"density_atomic": 0.06654881561693234,
"volume": 210.3718882179161,
"volume_molar": 9.049208019966262,
"formula_full": "Fe2 Mo2 Cl2 O8",
"formula_reduced": "FeMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.8918670667857143,
"spacegroup": 129
},
{
"id": "jvasp-29333",
"created_at": "2022-09-04T14:36:36.008700Z",
"updated_at": "2022-09-04T14:36:36.008725Z",
"structure_string": "Tl4 Cu4 P4 O16\n1.0\n4.852992 -0.037372 -0.176983\n-0.183557 4.849663 -0.176983\n0.021164 0.021811 17.945638\nTl Cu P O\n4 4 4 16\ndirect\n0.187185 0.786233 0.063033 Tl\n0.213765 0.812813 0.436967 Tl\n0.812813 0.213766 0.936967 Tl\n0.786233 0.187186 0.563033 Tl\n0.166759 0.328849 0.249235 Cu\n0.671150 0.833241 0.250765 Cu\n0.833240 0.671151 0.750765 Cu\n0.328848 0.166759 0.749235 Cu\n0.306067 0.642022 0.644439 P\n0.357976 0.693931 0.855561 P\n0.693931 0.357978 0.355561 P\n0.642022 0.306068 0.144439 P\n0.753607 0.048666 0.342474 O\n0.951334 0.246392 0.157526 O\n0.616484 0.584560 0.659554 O\n0.415439 0.383514 0.840447 O\n0.383514 0.415440 0.340447 O\n0.584559 0.616485 0.159554 O\n0.782612 0.460740 0.434045 O\n0.862876 0.524486 0.295196 O\n0.217386 0.539260 0.565956 O\n0.460738 0.782613 0.934045 O\n0.137122 0.475514 0.704804 O\n0.524484 0.862876 0.795196 O\n0.048664 0.753607 0.842474 O\n0.475514 0.137123 0.204804 O\n0.539260 0.217387 0.065956 O\n0.246391 0.951334 0.657526 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.708271084117095,
"density_atomic": 0.06630797599280598,
"volume": 422.2719752905417,
"volume_molar": 9.082075979296015,
"formula_full": "Tl4 Cu4 P4 O16",
"formula_reduced": "TlCuPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 15
},
{
"id": "jvasp-44396",
"created_at": "2022-09-04T14:38:35.128150Z",
"updated_at": "2022-09-04T14:38:35.128183Z",
"structure_string": "Li4 Nb4 Fe4 O16\n1.0\n5.892526 -0.000000 0.000000\n0.000000 5.892526 0.000000\n-0.000000 -0.000000 8.480247\nLi Nb Fe O\n4 4 4 16\ndirect\n0.000000 0.241501 0.000000 Li\n0.000000 0.758499 0.500000 Li\n0.241501 0.000000 0.250000 Li\n0.758499 0.000000 0.750000 Li\n0.255822 0.255822 0.625000 Nb\n0.255822 0.744178 0.875000 Nb\n0.744178 0.255822 0.375000 Nb\n0.744178 0.744178 0.125000 Nb\n0.750759 0.500000 0.750000 Fe\n0.500000 0.750759 0.500000 Fe\n0.500000 0.249242 0.000000 Fe\n0.249242 0.500000 0.250000 Fe\n0.734354 0.984472 0.494908 O\n0.734354 0.015528 0.005092 O\n0.734685 0.490543 0.981100 O\n0.734685 0.509458 0.518900 O\n0.509458 0.734685 0.731100 O\n0.509458 0.265316 0.768900 O\n0.490543 0.734685 0.268900 O\n0.015528 0.734354 0.244908 O\n0.265316 0.509458 0.481100 O\n0.265316 0.490543 0.018900 O\n0.265647 0.984472 0.505092 O\n0.265647 0.015528 -0.005092 O\n0.984472 0.265647 0.744908 O\n0.015528 0.265647 0.255092 O\n0.490543 0.265316 0.231100 O\n0.984472 0.734354 0.755092 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.955732103089847,
"density_atomic": 0.09509255457522443,
"volume": 294.4499716626097,
"volume_molar": 6.332925629036596,
"formula_full": "Li4 Nb4 Fe4 O16",
"formula_reduced": "LiNbFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.841816985714286,
"spacegroup": 95
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{
"id": "jvasp-50610",
"created_at": "2022-09-04T14:36:36.111893Z",
"updated_at": "2022-09-04T14:36:36.111924Z",
"structure_string": "Li4 Si4 Bi4 O16\n1.0\n5.178085 0.000000 0.000000\n0.000000 7.930359 0.000000\n0.000000 0.000000 8.400228\nLi Si Bi O\n4 4 4 16\ndirect\n0.969225 0.798870 0.084836 Li\n0.969225 0.298870 0.415164 Li\n0.469226 0.701131 0.584836 Li\n0.469226 0.201131 0.915164 Li\n0.987527 0.241940 0.068972 Si\n0.987527 0.741940 0.431028 Si\n0.487527 0.258060 0.568972 Si\n0.487527 0.758060 0.931028 Si\n0.958658 0.510511 0.747763 Bi\n0.958658 0.010511 0.752237 Bi\n0.458659 0.989490 0.247763 Bi\n0.458659 0.489489 0.252237 Bi\n0.597923 0.953457 0.920829 O\n0.292680 0.716472 0.784080 O\n0.292680 0.216472 0.715920 O\n0.597923 0.453457 0.579172 O\n0.746754 0.135212 0.555781 O\n0.830567 0.759081 0.603658 O\n0.330568 0.240919 0.396342 O\n0.246754 0.364788 0.055780 O\n0.097923 0.546543 0.420829 O\n0.792680 0.783528 0.284080 O\n0.792680 0.283528 0.215920 O\n0.097923 0.046543 0.079171 O\n0.746754 0.635212 0.944220 O\n0.330568 0.740919 0.103658 O\n0.246754 0.864789 0.444220 O\n0.830567 0.259081 0.896342 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.930796921328114,
"density_atomic": 0.08117175471166391,
"volume": 344.94757566176605,
"volume_molar": 7.419010198056806,
"formula_full": "Li4 Si4 Bi4 O16",
"formula_reduced": "LiSiBiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-48139",
"created_at": "2022-09-04T14:36:56.067166Z",
"updated_at": "2022-09-04T14:36:56.067188Z",
"structure_string": "Li4 Ni4 C4 O16\n1.0\n0.000000 3.057665 0.009619\n9.164823 0.000000 0.000000\n0.000000 -2.647047 -9.044237\nLi Ni C O\n4 4 4 16\ndirect\n0.408082 0.602113 0.184367 Li\n0.591919 0.102113 0.315633 Li\n0.408082 0.897887 0.684368 Li\n0.591918 0.397887 0.815633 Li\n0.782887 0.881129 0.059559 Ni\n0.217114 0.381130 0.440441 Ni\n0.782887 0.618870 0.559560 Ni\n0.217114 0.118870 0.940441 Ni\n0.065847 0.661128 0.866302 C\n0.934154 0.161128 0.633699 C\n0.065847 0.838872 0.366302 C\n0.934154 0.338872 0.133698 C\n0.147396 0.527351 0.869352 O\n0.096606 0.233208 0.757775 O\n0.903395 0.733208 0.742225 O\n0.852605 0.027351 0.630648 O\n0.372617 0.493231 0.610671 O\n0.844289 0.234786 0.507369 O\n0.155712 0.765213 0.492631 O\n0.372617 0.006769 0.110670 O\n0.147396 0.972649 0.369352 O\n0.096606 0.266792 0.257775 O\n0.903395 0.766792 0.242225 O\n0.852605 0.472649 0.130648 O\n0.627384 0.993230 0.889330 O\n0.844289 0.265213 0.007369 O\n0.627384 0.506769 0.389330 O\n0.155712 0.734786 0.992631 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.7155012955404962,
"density_atomic": 0.11057887390178067,
"volume": 253.2129240606158,
"volume_molar": 5.446013824800783,
"formula_full": "Li4 Ni4 C4 O16",
"formula_reduced": "LiNiCO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-87124",
"created_at": "2022-09-04T14:36:06.682613Z",
"updated_at": "2022-09-04T14:36:06.682630Z",
"structure_string": "Li1 Ge1 B1 O4\n1.0\n3.964605 0.000000 -2.166056\n-1.183421 3.783861 -2.166056\n0.007505 0.010210 4.725039\nLi Ge B O\n1 1 1 4\ndirect\n0.500001 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Ge\n0.250000 0.750000 0.499999 B\n0.156612 0.693048 0.734668 O\n0.578057 0.041622 0.734669 O\n0.958379 0.843387 0.265330 O\n0.306952 0.421943 0.265330 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 3.6078920612042635,
"density_atomic": 0.09851093398050748,
"volume": 71.05810205174892,
"volume_molar": 6.113169895629668,
"formula_full": "Li1 Ge1 B1 O4",
"formula_reduced": "LiGeBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.226180361904762,
"spacegroup": 82
},
{
"id": "jvasp-57259",
"created_at": "2022-09-04T14:38:33.444139Z",
"updated_at": "2022-09-04T14:38:33.444161Z",
"structure_string": "V4 Cd4 Ag4 O16\n1.0\n5.496344 0.000000 0.000000\n-0.000000 7.004749 0.000000\n0.000000 0.000000 9.955601\nV Cd Ag O\n4 4 4 16\ndirect\n0.990268 0.750000 0.678530 V\n0.490269 0.250000 0.821470 V\n0.009731 0.250000 0.321470 V\n0.509730 0.750000 0.178530 V\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.505545 0.750000 0.847750 Ag\n0.005545 0.250000 0.652250 Ag\n0.494454 0.250000 0.152250 Ag\n0.994454 0.750000 0.347750 Ag\n0.652645 0.550774 0.116705 O\n0.152646 0.449226 0.383295 O\n0.652645 0.949226 0.116705 O\n0.152646 0.050774 0.383295 O\n0.347354 0.449226 0.883295 O\n0.847354 0.550774 0.616705 O\n0.203277 0.750000 0.126904 O\n0.439481 0.250000 0.643805 O\n0.796722 0.250000 0.873096 O\n0.296722 0.750000 0.626904 O\n0.560518 0.750000 0.356195 O\n0.060518 0.250000 0.143805 O\n0.847354 0.949226 0.616705 O\n0.939481 0.750000 0.856195 O\n0.703277 0.250000 0.373096 O\n0.347354 0.050774 0.883295 O\n",
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"elements": [
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"chemical_system": "Ag-Cd-O-V",
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"formula_full": "V4 Cd4 Ag4 O16",
"formula_reduced": "VCdAgO4",
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{
"id": "jvasp-119747",
"created_at": "2022-09-04T14:38:37.024117Z",
"updated_at": "2022-09-04T14:38:37.024151Z",
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"formula_reduced": "LiVNiO4",
"formula_anonymous": "ABCD4",
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}