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=-spacegroup&page=4064",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4062",
"results": [
{
"id": "jvasp-101983",
"created_at": "2022-09-04T14:36:42.988855Z",
"updated_at": "2022-09-04T14:36:42.988876Z",
"structure_string": "H20 C8\n1.0\n5.392802 0.000000 -1.418201\n0.000000 5.054772 0.000000\n-0.029561 0.000000 7.606899\nH C\n20 8\ndirect\n0.765278 0.847121 0.008952 H\n0.710188 0.160465 0.532659 H\n0.289812 0.839535 0.467342 H\n0.289812 0.660464 0.967342 H\n0.710188 0.339535 0.032659 H\n0.823756 0.110465 0.338025 H\n0.176244 0.889535 0.661975 H\n0.823756 0.389535 0.838025 H\n0.538374 0.278938 0.317186 H\n0.461625 0.721062 0.682815 H\n0.176244 0.610465 0.161975 H\n0.538374 0.221062 0.817186 H\n0.461625 0.778938 0.182815 H\n0.234722 0.347121 0.491048 H\n0.765278 0.652879 0.508952 H\n0.869474 0.890929 0.811375 H\n0.234722 0.152879 0.991048 H\n0.130526 0.390929 0.688626 H\n0.869474 0.609070 0.311375 H\n0.130526 0.109070 0.188626 H\n0.273348 0.748012 0.594807 C\n0.866476 0.985076 0.941713 C\n0.133524 0.014924 0.058287 C\n0.133524 0.485076 0.558287 C\n0.866476 0.514923 0.441713 C\n0.726651 0.248012 0.905194 C\n0.273348 0.751988 0.094807 C\n0.726651 0.251988 0.405194 C\n",
"nsites": 28,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.9318403257973552,
"density_atomic": 0.1351694026315124,
"volume": 207.14747165326517,
"volume_molar": 4.455254401335974,
"formula_full": "H20 C8",
"formula_reduced": "H5C2",
"formula_anonymous": "A2B5",
"energy_above_hull": 4.039254285714287,
"spacegroup": 14
},
{
"id": "jvasp-44052",
"created_at": "2022-09-04T14:36:43.194214Z",
"updated_at": "2022-09-04T14:36:43.194230Z",
"structure_string": "Mg6 W2 O12\n1.0\n0.000000 5.137326 0.003650\n5.333028 0.000000 0.000000\n0.000000 -5.110785 -7.607233\nMg W O\n6 2 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.731591 0.948040 0.737381 Mg\n0.268407 0.448040 0.762618 Mg\n0.500000 0.000000 0.000000 Mg\n0.731592 0.551960 0.237381 Mg\n0.268408 0.051960 0.262619 Mg\n0.000000 0.500000 0.000000 W\n-0.000001 0.000000 0.500000 W\n0.628925 0.824552 0.444796 O\n0.371075 0.324552 0.055204 O\n0.752405 0.304754 0.417885 O\n0.109041 0.074435 0.737671 O\n0.890959 0.925565 0.262328 O\n0.752404 0.195246 0.917885 O\n0.628924 0.675449 0.944795 O\n0.371075 0.175449 0.555204 O\n0.247595 0.804755 0.082114 O\n0.109041 0.425565 0.237671 O\n0.247595 0.695246 0.582114 O\n0.890958 0.574435 0.762328 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 5.623639614456742,
"density_atomic": 0.09600627907777012,
"volume": 208.31970775368714,
"volume_molar": 6.2726530158738365,
"formula_full": "Mg6 W2 O12",
"formula_reduced": "Mg3WO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.098791815,
"spacegroup": 14
},
{
"id": "jvasp-104102",
"created_at": "2022-09-04T14:36:43.213016Z",
"updated_at": "2022-09-04T14:36:43.213045Z",
"structure_string": "H8 C8 F8\n1.0\n5.751174 -0.000015 -0.000009\n-0.000022 5.022272 0.822090\n-0.000009 -0.051010 7.061748\nH C F\n8 8 8\ndirect\n0.977340 0.666540 0.799409 H\n0.759105 0.623997 0.979136 H\n0.023347 0.833451 0.200591 H\n0.241565 0.876008 0.020853 H\n0.259107 0.375999 0.520873 H\n0.477347 0.333461 0.700595 H\n0.741564 0.123998 0.479145 H\n0.523338 0.166551 0.299411 H\n0.551626 0.627751 0.462093 C\n0.553424 0.136508 0.454545 C\n0.449035 0.872257 0.537905 C\n0.447249 0.363497 0.545462 C\n0.053426 0.863494 0.045457 C\n0.051627 0.372251 0.037910 C\n0.947247 0.636503 0.954542 C\n0.949033 0.127743 0.962099 C\n0.974557 0.174437 0.763113 F\n0.710259 0.130173 0.995359 F\n0.026087 0.325566 0.236895 F\n0.290403 0.369810 0.004662 F\n0.210259 0.869822 0.504649 F\n0.474564 0.825564 0.736891 F\n0.790403 0.630197 0.495337 F\n0.526081 0.674434 0.263108 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"H",
"C",
"F"
],
"chemical_system": "C-F-H",
"density": 2.082754827916131,
"density_atomic": 0.11752468210382704,
"volume": 204.2124221939799,
"volume_molar": 5.124149797469563,
"formula_full": "H8 C8 F8",
"formula_reduced": "HCF",
"formula_anonymous": "ABC",
"energy_above_hull": 2.227790094166666,
"spacegroup": 14
},
{
"id": "jvasp-101985",
"created_at": "2022-09-04T14:36:43.433958Z",
"updated_at": "2022-09-04T14:36:43.433986Z",
"structure_string": "H36 C20\n1.0\n4.304682 0.000000 -2.789917\n0.000000 10.234709 0.000000\n-0.027778 0.000000 9.134339\nH C\n36 20\ndirect\n0.004380 0.231218 0.964326 H\n0.369409 0.067172 0.547203 H\n0.630590 0.932828 0.452797 H\n0.630590 0.567172 0.952797 H\n0.369409 0.432828 0.047203 H\n0.444245 0.152969 0.734091 H\n0.555754 0.847031 0.265908 H\n0.555754 0.652969 0.765908 H\n0.939815 0.069717 0.661845 H\n0.060184 0.930283 0.338155 H\n0.060184 0.569717 0.838155 H\n0.939815 0.430283 0.161845 H\n0.801320 0.230736 0.646724 H\n0.198679 0.769264 0.353276 H\n0.198678 0.730736 0.853276 H\n0.801321 0.269264 0.146724 H\n0.387292 0.586523 0.266356 H\n0.612707 0.413477 0.733643 H\n0.444245 0.347031 0.234091 H\n0.387291 0.913477 0.766356 H\n0.612708 0.086523 0.233643 H\n0.995619 0.768782 0.035673 H\n0.995619 0.731218 0.535673 H\n0.004380 0.268782 0.464326 H\n0.308809 0.194072 0.933971 H\n0.691190 0.694072 0.566029 H\n0.308809 0.305928 0.433971 H\n0.247180 0.956706 0.966127 H\n0.691190 0.805929 0.066029 H\n0.752819 0.043294 0.033872 H\n0.752819 0.456706 0.533872 H\n0.247180 0.543295 0.466127 H\n0.693009 0.878746 0.735901 H\n0.306990 0.121254 0.264099 H\n0.306990 0.378746 0.764099 H\n0.693009 0.621254 0.235901 H\n0.393805 0.452969 0.712289 C\n0.846477 0.137241 0.717135 C\n0.544535 0.418741 0.187668 C\n0.455464 0.581260 0.812332 C\n0.455464 0.918741 0.312332 C\n0.544535 0.081260 0.687668 C\n0.606194 0.547031 0.287710 C\n0.153522 0.862759 0.282865 C\n0.393805 0.047031 0.212289 C\n0.911107 0.843880 0.087499 C\n0.152204 0.470902 0.515985 C\n0.847794 0.529098 0.484014 C\n0.847794 0.970902 0.984014 C\n0.152205 0.029098 0.015985 C\n0.088893 0.343880 0.412500 C\n0.911106 0.656120 0.587499 C\n0.088892 0.156120 0.912500 C\n0.153522 0.637241 0.782865 C\n0.606194 0.952969 0.787710 C\n0.846477 0.362759 0.217135 C\n",
"nsites": 56,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.143160204183627,
"density_atomic": 0.1394283675315614,
"volume": 401.63993161093043,
"volume_molar": 4.319164648210351,
"formula_full": "H36 C20",
"formula_reduced": "H9C5",
"formula_anonymous": "A5B9",
"energy_above_hull": 4.697353571428571,
"spacegroup": 14
},
{
"id": "jvasp-101986",
"created_at": "2022-09-04T14:36:44.088921Z",
"updated_at": "2022-09-04T14:36:44.088948Z",
"structure_string": "H16 C20\n1.0\n7.112449 0.000000 -3.096578\n0.000000 5.850792 0.000000\n-0.080266 0.000000 7.941571\nH C\n16 20\ndirect\n0.475855 0.069372 0.840776 H\n0.345912 0.809954 0.380407 H\n0.654088 0.190046 0.619593 H\n0.654088 0.309954 0.119593 H\n0.978474 0.078067 0.830424 H\n0.021526 0.921932 0.169575 H\n0.021525 0.578067 0.669575 H\n0.978474 0.421933 0.330424 H\n0.345911 0.690046 0.880407 H\n0.720008 0.832333 0.907422 H\n0.720008 0.667666 0.407422 H\n0.279991 0.332333 0.592577 H\n0.475856 0.430627 0.340776 H\n0.524144 0.569372 0.659224 H\n0.524144 0.930627 0.159224 H\n0.279992 0.167666 0.092577 H\n0.962858 0.608423 0.011158 C\n0.740529 0.194301 0.229512 C\n0.259470 0.805699 0.770488 C\n0.921496 0.242790 0.846364 C\n0.078503 0.757210 0.153636 C\n0.078503 0.742790 0.653636 C\n0.921497 0.257210 0.346364 C\n0.037141 0.391577 0.988842 C\n0.962858 0.891576 0.511158 C\n0.667068 0.980094 0.251707 C\n0.224421 0.332721 0.110105 C\n0.775579 0.667279 0.889894 C\n0.775579 0.832721 0.389895 C\n0.224420 0.167279 0.610105 C\n0.332932 0.480094 0.248293 C\n0.667067 0.519906 0.751707 C\n0.740529 0.305699 0.729511 C\n0.332932 0.019906 0.748293 C\n0.037142 0.108423 0.488842 C\n0.259471 0.694301 0.270488 C\n",
"nsites": 36,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.2937258642830565,
"density_atomic": 0.10941516560956237,
"volume": 329.0220308989211,
"volume_molar": 5.503936064484368,
"formula_full": "H16 C20",
"formula_reduced": "H4C5",
"formula_anonymous": "A4B5",
"energy_above_hull": 5.318262222222223,
"spacegroup": 14
},
{
"id": "jvasp-58177",
"created_at": "2022-09-04T14:36:44.470748Z",
"updated_at": "2022-09-04T14:36:44.470776Z",
"structure_string": "Mg4 Mn2 Ir2 O12\n1.0\n0.000000 5.044890 0.023466\n5.253766 0.000000 0.000000\n0.000000 -4.977901 -7.442321\nMg Mn Ir O\n4 2 2 12\ndirect\n0.239986 0.939254 0.251053 Mg\n0.760014 0.439254 0.248947 Mg\n0.239986 0.560747 0.751053 Mg\n0.760014 0.060747 0.748947 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 -0.000000 Ir\n0.101087 0.806488 0.927706 O\n0.248431 0.322174 0.933863 O\n0.898913 0.306488 0.572293 O\n0.623028 0.069505 0.256256 O\n0.376972 0.930495 0.743744 O\n0.898913 0.193513 0.072293 O\n0.751568 0.677827 0.066136 O\n0.248431 0.177826 0.433863 O\n0.751568 0.822174 0.566136 O\n0.623028 0.430495 0.756256 O\n0.101087 0.693513 0.427706 O\n0.376972 0.569506 0.243744 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Ir",
"O"
],
"chemical_system": "Ir-Mg-Mn-O",
"density": 6.616422594112891,
"density_atomic": 0.10170737501532795,
"volume": 196.6425738250139,
"volume_molar": 5.9210462949146265,
"formula_full": "Mg4 Mn2 Ir2 O12",
"formula_reduced": "Mg2MnIrO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3925037441379318,
"spacegroup": 14
},
{
"id": "jvasp-11414",
"created_at": "2022-09-04T14:36:44.783472Z",
"updated_at": "2022-09-04T14:36:44.783482Z",
"structure_string": "As8 Rh4\n1.0\n0.000000 6.155449 0.000009\n6.166589 0.000000 0.000000\n0.000000 -2.568236 -5.690142\nAs Rh\n8 4\ndirect\n0.843956 0.128794 0.130545 As\n0.156044 0.628794 0.369454 As\n0.156043 0.871206 0.869454 As\n0.843956 0.371206 0.630545 As\n0.661421 0.629770 0.818531 As\n0.338577 0.129770 0.681468 As\n0.338578 0.370230 0.181468 As\n0.661422 0.870230 0.318532 As\n0.727925 0.500596 0.211354 Rh\n0.272075 0.000596 0.288646 Rh\n0.272075 0.499404 0.788645 Rh\n0.727924 0.999404 0.711354 Rh\n",
"nsites": 12,
"nelements": 2,
"elements": [
"As",
"Rh"
],
"chemical_system": "As-Rh",
"density": 7.77267412691253,
"density_atomic": 0.055558906166543985,
"volume": 215.98697361011156,
"volume_molar": 10.839199645054144,
"formula_full": "As8 Rh4",
"formula_reduced": "As2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 2.071122166666667,
"spacegroup": 14
},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Lu",
"Bi",
"O"
],
"chemical_system": "Bi-Lu-O-Sr",
"density": 7.3458513803587575,
"density_atomic": 0.06751960446801089,
"volume": 296.21026600467576,
"volume_molar": 8.919099582186,
"formula_full": "Sr4 Lu2 Bi2 O12",
"formula_reduced": "Sr2LuBiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.594471367,
"spacegroup": 14
},
{
"id": "jvasp-5677",
"created_at": "2022-09-04T14:36:45.389458Z",
"updated_at": "2022-09-04T14:36:45.389467Z",
"structure_string": "Al16 Te24\n1.0\n0.000000 7.266691 -0.020945\n12.947807 0.000000 0.000000\n0.000000 0.024808 -14.375663\nAl Te\n16 24\ndirect\n0.418392 0.249668 0.686538 Al\n0.569076 0.431784 0.317572 Al\n0.430925 0.931784 0.182428 Al\n0.569076 0.068216 0.817572 Al\n0.920232 0.092273 0.193848 Al\n0.079768 0.592273 0.306152 Al\n0.079768 0.907727 0.806152 Al\n0.920232 0.407727 0.693848 Al\n0.430925 0.568216 0.682428 Al\n0.069199 0.908778 0.325975 Al\n0.069199 0.591222 0.825975 Al\n0.930801 0.091222 0.674025 Al\n0.418392 0.250332 0.186538 Al\n0.581608 0.750332 0.313462 Al\n0.581608 0.749668 0.813462 Al\n0.930801 0.408778 0.174025 Al\n0.088409 0.918807 0.626917 Te\n0.088409 0.581193 0.126917 Te\n0.911591 0.081193 0.373084 Te\n0.595156 0.405805 0.602545 Te\n0.573567 0.072067 0.629071 Te\n0.404844 0.594195 0.397455 Te\n0.595156 0.094195 0.102545 Te\n0.426434 0.572067 0.870929 Te\n0.911591 0.418807 0.873083 Te\n0.404844 0.905805 0.897455 Te\n0.926270 0.413822 0.362261 Te\n0.090654 0.242957 0.098725 Te\n0.073730 0.586178 0.637740 Te\n0.926270 0.086178 0.862260 Te\n0.416634 0.258372 0.365548 Te\n0.583366 0.758372 0.134452 Te\n0.583367 0.741629 0.634452 Te\n0.416634 0.241628 0.865548 Te\n0.426433 0.927933 0.370929 Te\n0.909346 0.742957 0.401275 Te\n0.909346 0.757043 0.901275 Te\n0.090655 0.257043 0.598725 Te\n0.073730 0.913822 0.137740 Te\n0.573567 0.427933 0.129071 Te\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Al",
"Te"
],
"chemical_system": "Al-Te",
"density": 4.289694540130683,
"density_atomic": 0.029573406837190664,
"volume": 1352.5665210034967,
"volume_molar": 20.363364941866386,
"formula_full": "Al16 Te24",
"formula_reduced": "Al2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.2046777800000004,
"spacegroup": 14
},
{
"id": "jvasp-101987",
"created_at": "2022-09-04T14:36:45.146840Z",
"updated_at": "2022-09-04T14:36:45.146861Z",
"structure_string": "H20 C32\n1.0\n8.115988 0.000000 -1.804878\n0.000000 3.804276 0.000000\n-0.045200 0.000000 15.266099\nH C\n20 32\ndirect\n0.498688 0.939374 0.704351 H\n0.484303 0.289075 0.055043 H\n0.515697 0.710926 0.944957 H\n0.484303 0.210925 0.555043 H\n0.322910 0.130388 0.902647 H\n0.677090 0.869613 0.097353 H\n0.677090 0.630388 0.597353 H\n0.322910 0.369613 0.402647 H\n0.943603 0.895289 0.206907 H\n0.056397 0.104712 0.793093 H\n0.515697 0.789076 0.444957 H\n0.943603 0.604713 0.706907 H\n0.245103 0.790988 0.245763 H\n0.754898 0.209013 0.754237 H\n0.754898 0.290988 0.254237 H\n0.245103 0.709013 0.745763 H\n0.498688 0.560627 0.204351 H\n0.501313 0.439374 0.795648 H\n0.501313 0.060627 0.295648 H\n0.056397 0.395288 0.293093 H\n0.789153 0.730417 0.579568 C\n0.789153 0.769585 0.079568 C\n0.210847 0.230416 0.920432 C\n0.222756 0.125217 0.508418 C\n0.777244 0.874784 0.491582 C\n0.777244 0.625218 0.991582 C\n0.372668 0.392576 0.072314 C\n0.372668 0.107424 0.572314 C\n0.627333 0.892577 0.427686 C\n0.627333 0.607425 0.927686 C\n0.076769 0.992779 0.531665 C\n0.923231 0.007222 0.468334 C\n0.210847 0.269584 0.420432 C\n0.222756 0.374783 0.008418 C\n0.936496 0.783502 0.140275 C\n0.761569 0.171022 0.320162 C\n0.063504 0.283501 0.359725 C\n0.936496 0.716500 0.640275 C\n0.085119 0.654840 0.118631 C\n0.914882 0.345161 0.881369 C\n0.914882 0.154840 0.381369 C\n0.085119 0.845161 0.618631 C\n0.238432 0.671022 0.179838 C\n0.761569 0.328979 0.820162 C\n0.923231 0.492778 0.968334 C\n0.238431 0.828979 0.679838 C\n0.380201 0.542001 0.156450 C\n0.619799 0.458000 0.843550 C\n0.619799 0.042000 0.343550 C\n0.380201 0.958001 0.656450 C\n0.063504 0.216499 0.859725 C\n0.076769 0.507223 0.031665 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4259801337822553,
"density_atomic": 0.11039461951102658,
"volume": 471.03744938226873,
"volume_molar": 5.455103506560379,
"formula_full": "H20 C32",
"formula_reduced": "H5C8",
"formula_anonymous": "A5B8",
"energy_above_hull": 5.778081538461539,
"spacegroup": 14
},
{
"id": "jvasp-10699",
"created_at": "2022-09-04T14:36:46.074286Z",
"updated_at": "2022-09-04T14:36:46.074311Z",
"structure_string": "Li4 Pr4 O8\n1.0\n0.000000 5.818037 -0.011051\n6.159660 0.000000 0.000000\n0.000000 -1.242818 -5.691321\nLi Pr O\n4 4 8\ndirect\n0.337615 0.358440 0.314963 Li\n0.662385 0.641560 0.685037 Li\n0.337614 0.141560 0.814963 Li\n0.662386 0.858440 0.185037 Li\n0.200675 0.569762 0.801880 Pr\n0.799325 0.069762 0.698119 Pr\n0.799326 0.430238 0.198119 Pr\n0.200675 0.930238 0.301880 Pr\n0.908111 0.738187 0.484439 O\n0.908110 0.761813 0.984439 O\n0.091890 0.238187 0.015561 O\n0.091890 0.261813 0.515561 O\n0.426732 0.870052 0.706063 O\n0.573268 0.370052 0.793937 O\n0.573268 0.129948 0.293937 O\n0.426732 0.629948 0.206063 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Pr",
"O"
],
"chemical_system": "Li-O-Pr",
"density": 5.854461744170034,
"density_atomic": 0.07841399521563616,
"volume": 204.0452084605621,
"volume_molar": 7.679931042206549,
"formula_full": "Li4 Pr4 O8",
"formula_reduced": "LiPrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0509692125,
"spacegroup": 14
},
{
"id": "jvasp-42175",
"created_at": "2022-09-04T14:36:46.143801Z",
"updated_at": "2022-09-04T14:36:46.143811Z",
"structure_string": "Li2 V2 F8\n1.0\n0.000000 5.499508 0.000895\n4.689656 0.000000 0.000000\n0.000000 -2.251588 -5.115477\nLi V F\n2 2 8\ndirect\n0.500000 0.000000 0.500001 Li\n0.500000 0.500000 0.000000 Li\n-0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.139527 0.701415 0.845288 F\n0.139527 0.798587 0.345288 F\n0.335963 0.313152 0.636421 F\n0.335963 0.186848 0.136421 F\n0.664037 0.813152 0.863581 F\n0.664037 0.686849 0.363581 F\n0.860474 0.201414 0.654714 F\n0.860474 0.298586 0.154714 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.370251692304916,
"density_atomic": 0.09096229194385,
"volume": 131.9227972774418,
"volume_molar": 6.620480455480827,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3156742216666666,
"spacegroup": 14
}
]
}