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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=231",
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"results": [
{
"id": "jvasp-42339",
"created_at": "2022-09-04T14:35:54.475116Z",
"updated_at": "2022-09-04T14:35:54.475141Z",
"structure_string": "Na8 Co8 O12\n1.0\n6.248269 5.425207 0.354237\n-6.248269 5.425207 -0.354237\n-2.294268 0.000000 4.700204\nNa Co O\n8 8 12\ndirect\n0.176949 0.011370 0.550612 Na\n0.988630 0.823051 0.050612 Na\n0.288062 0.288062 0.749999 Na\n0.574744 0.574745 0.749999 Na\n0.425256 0.425256 0.250000 Na\n0.711939 0.711939 0.250000 Na\n0.011370 0.176950 0.949387 Na\n0.823051 0.988631 0.449387 Na\n0.789152 0.341418 0.291326 Co\n0.470317 0.073543 0.250936 Co\n0.926457 0.529684 0.750935 Co\n0.658582 0.210849 0.791326 Co\n0.341418 0.789152 0.208673 Co\n0.529683 0.926458 0.749064 Co\n0.210848 0.658583 0.708673 Co\n0.073543 0.470317 0.249064 Co\n0.851527 0.570161 0.058195 O\n0.433203 0.714142 0.945366 O\n0.148474 0.429840 0.941804 O\n0.765510 -0.000284 0.941792 O\n0.285859 0.566798 0.445367 O\n0.570160 0.851527 0.441804 O\n0.000284 0.234490 0.441792 O\n-0.000284 0.765510 0.558206 O\n0.429840 0.148474 0.558195 O\n0.714141 0.433203 0.554633 O\n0.234490 0.000284 0.058208 O\n0.566798 0.285859 0.054633 O\n",
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"Co",
"O"
],
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"density": 4.296825267347526,
"density_atomic": 0.08550277383729042,
"volume": 327.4747560036272,
"volume_molar": 7.0432109857160645,
"formula_full": "Na8 Co8 O12",
"formula_reduced": "Na2Co2O3",
"formula_anonymous": "A2B2C3",
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"spacegroup": 15
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{
"id": "jvasp-98421",
"created_at": "2022-09-04T14:36:03.003050Z",
"updated_at": "2022-09-04T14:36:03.003074Z",
"structure_string": "Ti12 Zn12 C4\n1.0\n5.777390 5.777512 0.000023\n0.000045 5.777490 5.777506\n5.777377 0.000036 5.777515\nTi Zn C\n12 12 4\ndirect\n0.567109 0.932892 0.932891 Ti\n0.317150 0.682850 0.317149 Ti\n0.317112 0.317109 0.682888 Ti\n0.317118 0.682882 0.682882 Ti\n0.682891 0.682889 0.317108 Ti\n0.682880 0.317120 0.317119 Ti\n0.682852 0.317148 0.682850 Ti\n0.932876 0.932875 0.567122 Ti\n0.932891 0.567109 0.567110 Ti\n0.567147 0.932856 0.567141 Ti\n0.567129 0.567122 0.932874 Ti\n0.932859 0.567139 0.932857 Ti\n0.914452 0.914464 0.914451 Zn\n0.124995 0.124998 0.125003 Zn\n0.125004 0.624998 0.125002 Zn\n0.125000 0.125001 0.624997 Zn\n0.625001 0.125004 0.125001 Zn\n0.914451 0.256638 0.914446 Zn\n0.335535 0.335550 0.993366 Zn\n0.256639 0.914448 0.914463 Zn\n0.335554 0.335538 0.335552 Zn\n0.335548 0.993365 0.335552 Zn\n0.993359 0.335551 0.335537 Zn\n0.914464 0.914444 0.256642 Zn\n0.624995 0.125001 0.625002 C\n0.125000 0.624994 0.625003 C\n0.625002 0.625002 0.125003 C\n0.625006 0.625003 0.624995 C\n",
"nsites": 28,
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"elements": [
"Ti",
"Zn",
"C"
],
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"density": 6.059190960365065,
"density_atomic": 0.07259721743899561,
"volume": 385.68971356965255,
"volume_molar": 8.295277660001892,
"formula_full": "Ti12 Zn12 C4",
"formula_reduced": "Ti3Zn3C",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.0166166000000003,
"spacegroup": 227
},
{
"id": "jvasp-88857",
"created_at": "2022-09-04T14:35:48.506466Z",
"updated_at": "2022-09-04T14:35:48.506479Z",
"structure_string": "Mg8 Ge4 O16\n1.0\n4.963323 -0.000000 0.000000\n0.000000 6.064353 0.000000\n0.000000 0.000000 10.355273\nMg Ge O\n8 4 16\ndirect\n0.007307 0.750000 0.724239 Mg\n0.507307 0.250000 0.775760 Mg\n0.992692 0.250000 0.275760 Mg\n0.492692 0.750000 0.224240 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.937145 0.750000 0.404911 Ge\n0.062854 0.250000 0.595089 Ge\n0.562854 0.750000 0.904911 Ge\n0.437146 0.250000 0.095089 Ge\n0.291285 0.750000 0.408112 O\n0.791285 0.250000 0.091888 O\n0.235441 0.480447 0.664970 O\n0.769817 0.750000 0.560755 O\n0.269817 0.250000 0.939245 O\n0.230183 0.250000 0.439245 O\n0.730182 0.750000 0.060755 O\n0.735441 0.980447 0.835030 O\n0.235441 0.019553 0.664970 O\n0.264559 0.480447 0.164970 O\n0.764558 0.519553 0.335030 O\n0.264559 0.019553 0.164970 O\n0.764558 0.980447 0.335030 O\n0.735441 0.519553 0.835030 O\n0.208714 0.750000 0.908112 O\n0.708714 0.250000 0.591888 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O",
"density": 3.947690658800275,
"density_atomic": 0.08983373702392697,
"volume": 311.6869110381357,
"volume_molar": 6.703651611861611,
"formula_full": "Mg8 Ge4 O16",
"formula_reduced": "Mg2GeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0613154357142855,
"spacegroup": 62
},
{
"id": "jvasp-88036",
"created_at": "2022-09-04T14:36:03.285545Z",
"updated_at": "2022-09-04T14:36:03.285579Z",
"structure_string": "Rb2 Nb2 Ge6 O18\n1.0\n7.124373 -0.000000 0.000000\n-3.562186 6.169889 -0.000000\n-0.000000 -0.000000 10.350850\nRb Nb Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Nb\n0.333333 0.666667 0.500000 Nb\n0.073846 0.784597 0.750000 Ge\n0.710750 0.926154 0.750000 Ge\n0.215403 0.289249 0.750000 Ge\n0.215403 0.926154 0.250000 Ge\n0.073846 0.289249 0.250000 Ge\n0.710750 0.784597 0.250000 Ge\n0.560945 0.659002 0.110170 O\n0.098057 0.659002 0.610170 O\n0.340998 0.439055 0.610170 O\n0.098057 0.659002 0.889830 O\n0.340998 0.439055 0.889830 O\n0.560945 0.901943 0.889830 O\n0.340998 0.901943 0.110170 O\n0.560945 0.659002 0.389830 O\n0.801034 0.733271 0.750000 O\n0.098057 0.439055 0.110170 O\n0.266730 0.067764 0.750000 O\n0.932235 0.198966 0.750000 O\n0.098057 0.439055 0.389830 O\n0.801034 0.067764 0.250000 O\n0.932235 0.733271 0.250000 O\n0.266729 0.198966 0.250000 O\n0.340998 0.901943 0.389830 O\n0.560945 0.901943 0.610170 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"Ge",
"O"
],
"chemical_system": "Ge-Nb-O-Rb",
"density": 3.94371050160231,
"density_atomic": 0.06154007431315775,
"volume": 454.98807585959287,
"volume_molar": 9.78572227481438,
"formula_full": "Rb2 Nb2 Ge6 O18",
"formula_reduced": "RbNb(GeO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.3835734821428574,
"spacegroup": 188
},
{
"id": "jvasp-57125",
"created_at": "2022-09-04T14:38:03.437251Z",
"updated_at": "2022-09-04T14:38:03.437279Z",
"structure_string": "Zn14 S14\n1.0\n1.920621 -3.326614 0.000000\n1.920621 3.326614 -0.000000\n0.000000 0.000000 43.949998\nZn S\n14 14\ndirect\n0.666667 0.333333 0.928443 Zn\n0.000000 0.000000 0.142901 Zn\n0.666667 0.333333 0.500003 Zn\n0.333333 0.666667 0.000003 Zn\n0.666667 0.333333 0.714291 Zn\n0.666667 0.333333 0.285682 Zn\n0.333333 0.666667 0.785682 Zn\n0.333333 0.666667 0.571513 Zn\n0.000000 0.000000 0.642901 Zn\n0.000000 0.000000 0.857074 Zn\n0.333333 0.666667 0.428443 Zn\n0.333333 0.666667 0.214291 Zn\n0.000000 0.000000 0.357074 Zn\n0.666667 0.333333 0.071513 Zn\n0.333333 0.666667 0.732151 S\n0.666667 0.333333 0.446356 S\n0.666667 0.333333 0.017987 S\n0.333333 0.666667 0.160760 S\n0.666667 0.333333 0.874931 S\n0.000000 0.000000 0.803540 S\n0.000000 0.000000 0.589368 S\n0.666667 0.333333 0.232151 S\n0.666667 0.333333 0.660760 S\n0.333333 0.666667 0.946356 S\n0.333333 0.666667 0.517988 S\n0.000000 0.000000 0.303540 S\n0.000000 0.000000 0.089368 S\n0.333333 0.666667 0.374931 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.034901918169605,
"density_atomic": 0.0498568793984211,
"volume": 561.6075522144838,
"volume_molar": 12.078856183266684,
"formula_full": "Zn14 S14",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00012,
"spacegroup": 186
},
{
"id": "jvasp-48193",
"created_at": "2022-09-04T14:37:56.696911Z",
"updated_at": "2022-09-04T14:37:56.696922Z",
"structure_string": "Li4 Ti3 Co3 Ni2 O16\n1.0\n5.696647 -0.015190 0.056707\n2.788546 4.967183 0.059999\n0.129287 0.065771 9.388334\nLi Ti Co Ni O\n4 3 3 2 16\ndirect\n0.324579 0.324669 0.892056 Li\n0.022906 0.022672 0.994469 Li\n0.016709 0.016181 0.496181 Li\n0.656086 0.656313 0.401854 Li\n0.660322 0.162469 0.212488 Ti\n0.161970 0.660351 0.212467 Ti\n0.832526 0.832619 0.709980 Ti\n0.828471 0.341361 0.713361 Co\n0.341518 0.828288 0.713365 Co\n0.174748 0.174680 0.212958 Co\n0.332012 0.331958 0.489640 Ni\n0.664404 0.664441 0.981674 Ni\n0.838102 0.838209 0.099550 O\n0.836721 0.336390 0.103026 O\n0.664584 0.664323 0.604333 O\n0.511786 0.953363 0.842546 O\n0.953336 0.511829 0.842536 O\n0.166935 0.166712 0.608289 O\n0.030685 0.471836 0.342285 O\n0.473861 0.474102 0.343705 O\n0.166005 0.675835 0.599582 O\n0.003179 0.003122 0.811460 O\n0.002832 0.002947 0.311110 O\n0.338682 0.338604 0.096492 O\n0.513145 0.513088 0.827508 O\n0.676138 0.165782 0.599541 O\n0.471675 0.030942 0.342325 O\n0.336409 0.836607 0.103062 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O-Ti",
"density": 4.504248237538479,
"density_atomic": 0.10526155094216073,
"volume": 266.0040608311527,
"volume_molar": 5.721121060917158,
"formula_full": "Li4 Ti3 Co3 Ni2 O16",
"formula_reduced": "Li4Ti3Co3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.896185660714285,
"spacegroup": 8
},
{
"id": "jvasp-35261",
"created_at": "2022-09-04T14:38:04.922540Z",
"updated_at": "2022-09-04T14:38:04.922554Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n-0.017196 0.017032 7.051452\n-0.018851 9.691575 3.460184\n-9.691309 -0.074382 3.460184\nNa Zn Se\n8 8 12\ndirect\n0.749999 0.569001 0.431000 Na\n0.249999 0.431000 0.569001 Na\n0.749999 0.281371 0.718629 Na\n0.249999 0.718629 0.281371 Na\n0.646280 0.975352 0.806889 Na\n0.853718 0.193111 0.024649 Na\n0.353718 0.024649 0.193112 Na\n0.146280 0.806889 0.975351 Na\n0.261074 0.083055 0.549185 Zn\n0.238925 0.450815 0.916945 Zn\n0.761074 0.549185 0.083055 Zn\n0.738924 0.916945 0.450815 Zn\n0.201646 0.792717 0.637047 Zn\n0.701645 0.637047 0.792717 Zn\n0.798353 0.207283 0.362954 Zn\n0.298353 0.362953 0.207283 Zn\n0.441597 0.227590 0.991809 Se\n0.568683 0.424118 0.276554 Se\n0.931315 0.723446 0.575882 Se\n0.431316 0.575882 0.723446 Se\n0.068683 0.276554 0.424118 Se\n0.552793 0.147835 0.583805 Se\n0.947205 0.416195 0.852165 Se\n0.447205 0.852165 0.416195 Se\n0.052793 0.583805 0.147835 Se\n0.558402 0.772410 0.008191 Se\n0.941597 0.991809 0.227591 Se\n0.058402 0.008191 0.772410 Se\n",
"nsites": 28,
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"elements": [
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"Zn",
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],
"chemical_system": "Na-Se-Zn",
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"density_atomic": 0.042349829856335015,
"volume": 661.1596810420607,
"volume_molar": 14.219988085971405,
"formula_full": "Na8 Zn8 Se12",
"formula_reduced": "Na2Zn2Se3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.170530480952381,
"spacegroup": 15
},
{
"id": "jvasp-21477",
"created_at": "2022-09-04T14:37:36.952330Z",
"updated_at": "2022-09-04T14:37:36.952340Z",
"structure_string": "K4 Be4 P4 O16\n1.0\n4.970129 0.000000 0.000000\n0.000000 8.302066 0.000000\n0.000000 0.000000 8.558773\nK Be P O\n4 4 4 16\ndirect\n0.253036 0.498209 0.286005 K\n0.753036 0.501792 0.713994 K\n0.753036 0.001791 0.786005 K\n0.253036 0.998209 0.213994 K\n0.740744 0.814016 0.412250 Be\n0.240744 0.185985 0.587749 Be\n0.240744 0.685985 0.912250 Be\n0.740744 0.314015 0.087750 Be\n0.739475 0.192740 0.419129 P\n0.239475 0.807261 0.580871 P\n0.239475 0.307260 0.919129 P\n0.739475 0.692740 0.080871 P\n0.241846 0.991212 0.587785 O\n0.741846 0.008789 0.412214 O\n0.043035 0.247507 0.048074 O\n0.543035 0.752494 0.951926 O\n0.543035 0.252494 0.548074 O\n0.043035 0.747507 0.451926 O\n0.025492 0.756555 0.043295 O\n0.141469 0.241799 0.760616 O\n0.525493 0.743445 0.543294 O\n0.025492 0.256555 0.456705 O\n0.641469 0.258202 0.260617 O\n0.141469 0.741799 0.739383 O\n0.241846 0.491211 0.912214 O\n0.641469 0.758202 0.239383 O\n0.525493 0.243445 0.956705 O\n0.741846 0.508789 0.087785 O\n",
"nsites": 28,
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"elements": [
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"Be",
"P",
"O"
],
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"density": 2.691090274851956,
"density_atomic": 0.07928530126462613,
"volume": 353.15499283462344,
"volume_molar": 7.595532417667477,
"formula_full": "K4 Be4 P4 O16",
"formula_reduced": "KBePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8252605142857143,
"spacegroup": 33
},
{
"id": "jvasp-40686",
"created_at": "2022-09-04T14:38:00.856572Z",
"updated_at": "2022-09-04T14:38:00.856603Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.966677 0.000000 0.000000\n0.000000 6.057352 0.000000\n0.000000 0.000000 11.024893\nLi Fe Si O\n4 4 4 16\ndirect\n0.755735 0.991102 0.167958 Li\n0.255734 0.491102 0.332042 Li\n0.755735 0.508897 0.667958 Li\n0.255734 0.008898 0.832042 Li\n0.255822 0.740829 0.082699 Fe\n0.755822 0.240830 0.417301 Fe\n0.255822 0.759170 0.582699 Fe\n0.755822 0.259170 0.917301 Fe\n0.751305 0.757666 0.913733 Si\n0.251304 0.257666 0.586266 Si\n0.751305 0.742333 0.413733 Si\n0.251304 0.242334 0.086266 Si\n0.832696 0.531787 0.838931 O\n0.858774 0.984406 0.845369 O\n0.358773 0.484406 0.654630 O\n0.332696 0.031787 0.661068 O\n0.920611 0.269797 0.571102 O\n0.882702 0.745962 0.552181 O\n0.382702 0.254038 0.447818 O\n0.920611 0.230202 0.071102 O\n0.832696 0.968212 0.338931 O\n0.858774 0.515594 0.345370 O\n0.358773 0.015594 0.154630 O\n0.332696 0.468213 0.161069 O\n0.420611 0.769797 0.928897 O\n0.882702 0.754037 0.052182 O\n0.420611 0.730202 0.428898 O\n0.382702 0.245962 0.947818 O\n",
"nsites": 28,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.1013497870302205,
"density_atomic": 0.08441797284908616,
"volume": 331.6829231383647,
"volume_molar": 7.133718752955333,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.442672585714286,
"spacegroup": 33
},
{
"id": "jvasp-40665",
"created_at": "2022-09-04T14:38:03.390695Z",
"updated_at": "2022-09-04T14:38:03.390725Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.317198 -0.000000 0.000000\n-0.000000 8.594108 0.000000\n0.000000 0.000000 9.104154\nLi Mn P O\n4 4 4 16\ndirect\n0.250000 0.126338 0.898128 Li\n0.750000 0.626338 0.601871 Li\n0.250000 0.373662 0.398128 Li\n0.750000 0.873662 0.101871 Li\n0.250000 0.374324 0.101664 Mn\n0.750000 0.874324 0.398336 Mn\n0.250000 0.125676 0.601664 Mn\n0.750000 0.625676 0.898335 Mn\n0.250000 0.029146 0.244567 P\n0.750000 0.529146 0.255433 P\n0.250000 0.470854 0.744567 P\n0.750000 0.970854 0.755432 P\n0.988275 0.426193 0.255736 O\n0.750000 0.633964 0.115715 O\n0.250000 0.133963 0.384285 O\n0.011726 0.926193 0.244264 O\n0.488274 0.926193 0.244264 O\n0.750000 0.633421 0.394116 O\n0.250000 0.366579 0.605884 O\n0.488274 0.573808 0.744263 O\n0.988275 0.073808 0.755736 O\n0.750000 0.866037 0.615715 O\n0.250000 0.366037 0.884285 O\n0.011726 0.573808 0.744263 O\n0.511726 0.426193 0.255736 O\n0.750000 0.866579 0.894115 O\n0.511726 0.073808 0.755736 O\n0.250000 0.133421 0.105884 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.504214371563373,
"density_atomic": 0.06730305781601706,
"volume": 416.0286457792478,
"volume_molar": 8.947796660981465,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.55415810591133,
"spacegroup": 62
},
{
"id": "jvasp-46738",
"created_at": "2022-09-04T14:38:03.734653Z",
"updated_at": "2022-09-04T14:38:03.734674Z",
"structure_string": "Li4 Mn1 Ni3 P4 O16\n1.0\n0.000000 4.704364 -0.008846\n5.938295 0.000000 0.000000\n0.000000 0.003793 -10.131218\nLi Mn Ni P O\n4 1 3 4 16\ndirect\n0.997052 0.250419 0.995636 Li\n0.997052 0.749581 0.995636 Li\n0.502307 0.747019 0.505626 Li\n0.502307 0.252982 0.505626 Li\n0.022174 0.000000 0.277657 Mn\n0.982171 0.500000 0.726492 Ni\n0.519325 0.500000 0.222252 Ni\n0.478640 0.000000 0.775522 Ni\n0.084949 0.500000 0.408286 P\n0.417922 0.500000 0.906125 P\n0.579438 0.000000 0.087972 P\n0.917735 0.000000 0.597880 P\n0.227352 0.705577 0.336562 O\n0.243826 0.000000 0.598949 O\n0.254008 0.000000 0.091875 O\n0.277016 0.292705 0.834752 O\n0.277016 0.707296 0.834752 O\n0.294429 0.500000 0.048659 O\n0.705929 0.000000 0.946270 O\n0.777703 0.208596 0.667711 O\n0.716799 0.207503 0.160013 O\n0.743919 0.500000 0.902605 O\n0.759260 0.500000 0.402508 O\n0.777703 0.791405 0.667711 O\n0.227352 0.294424 0.336562 O\n0.795170 0.000000 0.455316 O\n0.716799 0.792498 0.160013 O\n0.204628 0.500000 0.551042 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Mn-Ni-O-P",
"density": 3.7471407323212547,
"density_atomic": 0.09893136249029862,
"volume": 283.02450603311695,
"volume_molar": 6.087190763788926,
"formula_full": "Li4 Mn1 Ni3 P4 O16",
"formula_reduced": "Li4MnNi3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.7051254443349757,
"spacegroup": 6
},
{
"id": "jvasp-40684",
"created_at": "2022-09-04T14:38:03.359373Z",
"updated_at": "2022-09-04T14:38:03.359383Z",
"structure_string": "Li4 V2 Fe2 P4 O16\n1.0\n0.000000 4.695802 -0.010845\n5.982753 0.000000 0.000000\n0.000000 -0.016414 -10.329699\nLi V Fe P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.515518 0.250000 0.221773 V\n0.484483 0.750000 0.778227 V\n0.025158 0.750000 0.276851 Fe\n0.974842 0.250000 0.723149 Fe\n0.423936 0.250000 0.909569 P\n0.917236 0.750000 0.595976 P\n0.082765 0.250000 0.404023 P\n0.576065 0.750000 0.090431 P\n0.292192 0.042319 0.838162 O\n0.292192 0.457681 0.838162 O\n0.777125 0.546595 0.668875 O\n0.777125 0.953405 0.668875 O\n0.244132 0.750000 0.599606 O\n0.205239 0.250000 0.542552 O\n0.794761 0.750000 0.457448 O\n0.250859 0.750000 0.087731 O\n0.222875 0.046595 0.331125 O\n0.222875 0.453405 0.331125 O\n0.707808 0.542319 0.161837 O\n0.707808 0.957681 0.161837 O\n0.749141 0.250000 0.912268 O\n0.289004 0.250000 0.047665 O\n0.755868 0.250000 0.400394 O\n0.710997 0.750000 0.952334 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-V",
"density": 3.554644127931253,
"density_atomic": 0.09648458233598779,
"volume": 290.20180553298906,
"volume_molar": 6.241557577592168,
"formula_full": "Li4 V2 Fe2 P4 O16",
"formula_reduced": "Li2VFe(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.8873041928571426,
"spacegroup": 11
}
]
}