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=-elements&page=54",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=52",
"results": [
{
"id": "jvasp-47725",
"created_at": "2022-09-04T14:38:33.289472Z",
"updated_at": "2022-09-04T14:38:33.289500Z",
"structure_string": "Li2 Fe2 P4 H2 O16\n1.0\n0.000000 4.757690 0.011371\n7.998810 0.000000 0.000000\n0.000000 -1.858020 -7.194030\nLi Fe P H O\n2 2 4 2 16\ndirect\n0.856562 0.625515 0.396615 Li\n0.143438 0.125515 0.603385 Li\n0.252087 0.499274 0.764451 Fe\n0.747913 -0.000726 0.235549 Fe\n0.879446 0.648576 0.011504 P\n0.120554 0.148576 0.988496 P\n0.377080 0.847442 0.501151 P\n0.622920 0.347442 0.498849 P\n0.717134 0.985804 0.736695 H\n0.282866 0.485804 0.263305 H\n0.607330 0.827859 0.385193 O\n0.499652 0.446619 0.316210 O\n0.378887 0.048154 0.113312 O\n0.209759 0.325514 0.948400 O\n0.500348 0.946619 0.683790 O\n0.392670 0.327859 0.614807 O\n0.106333 0.665080 0.890561 O\n0.893667 0.165080 0.109439 O\n0.263891 0.677961 0.542395 O\n0.124676 0.963327 0.396479 O\n0.000278 0.553620 0.190830 O\n0.736109 0.177961 0.457606 O\n0.790241 0.825514 0.051600 O\n0.875324 0.463327 0.603521 O\n0.999722 0.053620 0.809170 O\n0.621113 0.548154 0.886688 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.0799007069980275,
"density_atomic": 0.09502715881851383,
"volume": 273.60599141615614,
"volume_molar": 6.337283819567092,
"formula_full": "Li2 Fe2 P4 H2 O16",
"formula_reduced": "LiFeP2HO8",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.8732165,
"spacegroup": 4
},
{
"id": "jvasp-113161",
"created_at": "2022-09-04T14:38:46.001415Z",
"updated_at": "2022-09-04T14:38:46.001439Z",
"structure_string": "Li2 Fe2 P2 H4 O10\n1.0\n4.793963 -0.168261 0.006898\n-0.186947 5.247021 -1.983614\n0.040376 -0.914026 8.851985\nLi Fe P H O\n2 2 2 4 10\ndirect\n0.062821 0.078700 0.370604 Li\n0.581344 0.399713 0.604591 Li\n0.512567 0.511174 0.013062 Fe\n0.011816 -0.013883 0.975367 Fe\n0.589787 0.160288 0.211930 P\n0.082978 0.348118 0.773187 P\n0.007736 0.557365 0.213485 H\n0.493499 0.805475 0.807998 H\n0.657889 -0.021717 0.732486 H\n0.253516 0.630890 0.340164 H\n0.210839 0.643658 0.880936 O\n0.270083 0.153314 0.202042 O\n0.760490 0.332397 0.778318 O\n0.710341 0.263303 0.388734 O\n0.197163 0.241328 0.596882 O\n0.668447 0.817437 0.750979 O\n0.172506 0.688572 0.262572 O\n0.723441 0.326129 0.121556 O\n0.202034 0.202585 0.872867 O\n0.701899 0.875147 0.102237 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 2.731578570769716,
"density_atomic": 0.09358652443683248,
"volume": 213.70598085944818,
"volume_molar": 6.434837489947313,
"formula_full": "Li2 Fe2 P2 H4 O10",
"formula_reduced": "LiFePH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.73921585,
"spacegroup": 1
},
{
"id": "jvasp-42191",
"created_at": "2022-09-04T14:38:04.073028Z",
"updated_at": "2022-09-04T14:38:04.073056Z",
"structure_string": "Li3 Fe1 P2 H1 O8\n1.0\n4.965031 0.102003 0.044149\n-2.002752 4.621724 0.000074\n-0.008986 -0.094976 6.170356\nLi Fe P H O\n3 1 2 1 8\ndirect\n0.622271 0.221007 0.755393 Li\n-0.000001 -0.000000 0.500000 Li\n0.377727 0.778991 0.244607 Li\n0.000000 0.000000 0.000000 Fe\n0.640166 0.360423 0.245810 P\n0.359832 0.639575 0.754190 P\n-0.000001 0.499999 0.500000 H\n0.760866 0.249437 0.049176 O\n0.782202 0.294793 0.457685 O\n0.308308 0.191277 0.262661 O\n0.275675 0.310744 0.762128 O\n0.724323 0.689254 0.237872 O\n0.691691 0.808720 0.737339 O\n0.217796 0.705205 0.542316 O\n0.239133 0.750561 0.950824 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.110633724595948,
"density_atomic": 0.10499645578975851,
"volume": 142.86196507466417,
"volume_molar": 5.735565752865545,
"formula_full": "Li3 Fe1 P2 H1 O8",
"formula_reduced": "Li3FeP2HO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.6184589666666667,
"spacegroup": 2
},
{
"id": "jvasp-46841",
"created_at": "2022-09-04T14:38:14.818998Z",
"updated_at": "2022-09-04T14:38:14.819018Z",
"structure_string": "Li4 Fe2 P4 H2 O16\n1.0\n0.000000 4.782875 -0.023690\n7.845485 0.000000 0.000000\n0.000000 -1.802014 -7.130143\nLi Fe P H O\n4 2 4 2 16\ndirect\n0.371513 0.632389 0.909631 Li\n0.628489 0.132389 0.090368 Li\n0.862086 0.866267 0.408608 Li\n0.137916 0.366267 0.591392 Li\n0.250601 -0.000631 0.747139 Fe\n0.749401 0.499369 0.252860 Fe\n0.880348 0.842654 0.006161 P\n0.119654 0.342654 0.993839 P\n0.379565 0.653787 0.511843 P\n0.620437 0.153787 0.488157 P\n0.774021 0.491261 0.761114 H\n0.225981 0.991261 0.238886 H\n0.891763 0.320565 0.109705 O\n0.108238 0.820565 0.890295 O\n-0.009243 0.439548 0.805144 O\n0.872304 0.041827 0.596247 O\n0.733014 0.330737 0.446336 O\n0.009244 0.939548 0.194855 O\n0.604700 0.676629 0.391585 O\n0.266988 0.830737 0.553663 O\n0.770791 0.669504 0.057817 O\n0.629828 0.956290 0.903885 O\n0.504851 0.559268 0.697019 O\n0.395301 0.176629 0.608415 O\n0.229210 0.169504 0.942182 O\n0.370174 0.456290 0.096115 O\n0.495150 0.059268 0.302980 O\n0.127698 0.541827 0.403753 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.2317111403875733,
"density_atomic": 0.10452198599462495,
"volume": 267.88622253541854,
"volume_molar": 5.761601927760624,
"formula_full": "Li4 Fe2 P4 H2 O16",
"formula_reduced": "Li2FeP2HO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.735265321428571,
"spacegroup": 4
},
{
"id": "jvasp-112769",
"created_at": "2022-09-04T14:38:42.296104Z",
"updated_at": "2022-09-04T14:38:42.296133Z",
"structure_string": "Li2 Fe2 P4 H3 O16\n1.0\n4.798979 -0.018903 -1.143089\n0.262958 7.983408 -0.070326\n0.050736 -0.023833 7.237605\nLi Fe P H O\n2 2 4 3 16\ndirect\n0.360981 0.850538 0.828084 Li\n0.628958 0.149550 0.173478 Li\n0.498308 0.501767 0.001640 Fe\n-0.001690 0.997479 0.496558 Fe\n0.120774 0.341036 0.265086 P\n0.371383 0.849193 0.236623 P\n0.626663 0.152799 0.754314 P\n0.875078 0.659289 0.735654 P\n0.963893 0.014926 0.985112 H\n0.330303 0.396523 0.571029 H\n0.661046 0.604368 0.430182 H\n0.652973 0.682575 0.854460 O\n0.845583 0.165085 0.629941 O\n0.761645 0.554274 0.554543 O\n0.610998 0.962703 0.332625 O\n0.481427 0.668076 0.216783 O\n0.770214 0.079430 0.955175 O\n0.345220 0.319306 0.148177 O\n0.158488 0.834574 0.369487 O\n0.516345 0.330117 0.784627 O\n0.392564 0.034856 0.668349 O\n0.229224 0.446170 0.446934 O\n0.861819 0.429231 0.147968 O\n0.134531 0.569895 0.851242 O\n0.958565 0.836395 0.680983 O\n0.232137 0.924802 0.044771 O\n0.038751 0.163085 0.318165 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.039572209903594,
"density_atomic": 0.09719684620178273,
"volume": 277.78679098236813,
"volume_molar": 6.195819098387109,
"formula_full": "Li2 Fe2 P4 H3 O16",
"formula_reduced": "Li2Fe2P4H3O16",
"formula_anonymous": "A2B2C3D4E16",
"energy_above_hull": 3.0837477407407405,
"spacegroup": 1
},
{
"id": "jvasp-112441",
"created_at": "2022-09-04T14:38:40.459559Z",
"updated_at": "2022-09-04T14:38:40.459584Z",
"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n4.931558 -0.000000 0.000000\n0.000000 6.279741 0.000000\n-0.000000 -0.000000 8.595314\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.521684 0.260260 0.734137 Li\n0.521684 0.739739 0.734137 Li\n0.910072 0.500000 0.927068 Li\n0.410072 0.000000 0.072932 Li\n0.021684 0.760260 0.265863 Li\n0.021684 0.239740 0.265863 Li\n0.519179 0.500000 0.359100 Fe\n0.019179 0.000000 0.640900 Fe\n0.029715 0.500000 0.584621 P\n0.529716 0.000000 0.415379 P\n0.947749 0.000000 0.968023 C\n0.447748 0.500000 0.031976 C\n0.933098 0.500000 0.411325 O\n0.343985 0.500000 0.584619 O\n0.416260 0.805459 0.324673 O\n0.416260 0.194540 0.324673 O\n0.653740 0.500000 0.126929 O\n0.200892 0.500000 0.081120 O\n0.916260 0.305460 0.675327 O\n0.503833 0.500000 0.883930 O\n0.700892 0.000000 0.918879 O\n0.153740 0.000000 0.873070 O\n0.916260 0.694540 0.675327 O\n0.433098 0.000000 0.588675 O\n0.003832 0.000000 0.116069 O\n0.843985 0.000000 0.415381 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.890150876512105,
"density_atomic": 0.09767551816387228,
"volume": 266.18747961366586,
"volume_molar": 6.165455656858177,
"formula_full": "Li6 Fe2 P2 C2 O14",
"formula_reduced": "Li3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.812005038461539,
"spacegroup": 31
},
{
"id": "jvasp-119734",
"created_at": "2022-09-04T14:38:52.271369Z",
"updated_at": "2022-09-04T14:38:52.271383Z",
"structure_string": "Li3 Fe2 P2 C2 O14\n1.0\n8.411656 0.041875 -0.179262\n0.448713 4.969000 0.117632\n-0.071543 0.151667 6.248550\nLi Fe P C O\n3 2 2 2 14\ndirect\n0.110267 0.874630 0.231454 Li\n0.736222 0.704289 0.904702 Li\n0.930743 0.202842 0.632750 Li\n0.330827 0.794294 0.762584 Fe\n0.663594 0.185472 0.265745 Fe\n0.421641 0.721139 0.275168 P\n0.581138 0.238462 0.761710 P\n0.055774 0.666314 0.768005 C\n0.932463 0.387816 0.229142 C\n0.786729 0.493915 0.172901 O\n0.671058 0.084652 0.958401 O\n0.700896 0.209128 0.579423 O\n0.573172 0.859437 0.325087 O\n0.539091 0.540753 0.799148 O\n0.467281 0.416886 0.256122 O\n0.193028 0.513865 0.784377 O\n0.298726 0.772745 0.453121 O\n0.326143 0.843560 0.070137 O\n0.924563 0.564696 0.746401 O\n0.051932 0.516070 0.217472 O\n0.071391 0.922624 0.772595 O\n0.426793 0.106160 0.707000 O\n0.935467 0.135019 0.304564 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.8169467460795636,
"density_atomic": 0.08817999830337489,
"volume": 260.83012522715967,
"volume_molar": 6.8293727328973155,
"formula_full": "Li3 Fe2 P2 C2 O14",
"formula_reduced": "Li3Fe2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy_above_hull": 3.2798409130434782,
"spacegroup": 1
},
{
"id": "jvasp-119745",
"created_at": "2022-09-04T14:38:49.841467Z",
"updated_at": "2022-09-04T14:38:49.841494Z",
"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n6.138158 0.000000 0.000000\n0.000000 4.986581 0.500674\n0.000000 0.521460 8.883901\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.767088 0.073586 0.309672 Li\n0.232913 0.073586 0.309672 Li\n0.725131 0.289146 0.763004 Li\n0.274869 0.289146 0.763004 Li\n0.771206 0.770791 -0.047882 Li\n0.228794 0.770791 -0.047882 Li\n0.500000 0.551154 0.326505 Fe\n-0.000000 0.958547 0.645504 Fe\n0.500000 0.784081 0.625895 P\n-0.000000 0.525459 0.444665 P\n-0.000000 0.223730 0.010725 C\n0.500000 0.349496 0.061671 C\n0.500000 0.255644 0.936355 O\n0.300751 0.884995 0.713212 O\n0.699249 0.884995 0.713212 O\n-0.000000 0.380322 0.613512 O\n0.500000 0.476226 0.639988 O\n-0.000000 0.837299 0.440861 O\n0.500000 0.194227 0.192022 O\n0.798477 0.440982 0.361015 O\n0.201523 0.440982 0.361015 O\n-0.000000 0.104399 0.148265 O\n0.500000 0.613789 0.065571 O\n-0.000000 0.069285 0.901754 O\n0.500000 0.898810 0.453598 O\n-0.000000 0.483805 0.969671 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.845971532611938,
"density_atomic": 0.0961824333762724,
"volume": 270.31963205054484,
"volume_molar": 6.261164901537648,
"formula_full": "Li6 Fe2 P2 C2 O14",
"formula_reduced": "Li3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.813255807692308,
"spacegroup": 6
},
{
"id": "jvasp-43340",
"created_at": "2022-09-04T14:35:55.955755Z",
"updated_at": "2022-09-04T14:35:55.955781Z",
"structure_string": "Li4 Fe3 Ni2 Sn3 O16\n1.0\n5.969548 0.009510 -0.053372\n2.983538 5.170483 -0.053248\n0.076313 0.043646 9.493698\nLi Fe Ni Sn O\n4 3 2 3 16\ndirect\n0.679044 0.679078 0.886253 Li\n0.967903 0.967902 0.990727 Li\n0.980243 0.980244 0.502718 Li\n0.341736 0.341766 0.397935 Li\n0.830515 0.830536 0.215629 Fe\n0.177571 0.660502 0.713497 Fe\n0.660478 0.177595 0.713495 Fe\n0.667786 0.667809 0.494271 Ni\n0.335504 0.335527 0.984972 Ni\n0.170432 0.170463 0.713524 Sn\n0.337851 0.833903 0.213171 Sn\n0.833879 0.337870 0.213168 Sn\n0.155212 0.155234 0.084191 O\n0.145180 0.672054 0.104547 O\n0.344932 0.344956 0.604560 O\n0.501898 0.048377 0.838308 O\n0.048350 0.501925 0.838308 O\n0.837250 0.837268 0.616924 O\n0.968565 0.535309 0.339087 O\n0.520675 0.520695 0.348627 O\n0.824294 0.316775 0.599192 O\n0.991398 0.991423 0.809090 O\n0.989722 0.989744 0.319124 O\n0.677434 0.677457 0.096636 O\n0.487766 0.487792 0.827062 O\n0.316754 0.824318 0.599196 O\n0.535285 0.968592 0.339086 O\n0.672041 0.145193 0.104542 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Sn",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sn",
"density": 5.245052223291334,
"density_atomic": 0.09563305243926297,
"volume": 292.7858024586525,
"volume_molar": 6.297133267626998,
"formula_full": "Li4 Fe3 Ni2 Sn3 O16",
"formula_reduced": "Li4Fe3Ni2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.463212585714285,
"spacegroup": 8
},
{
"id": "jvasp-119004",
"created_at": "2022-09-04T14:38:51.039452Z",
"updated_at": "2022-09-04T14:38:51.039476Z",
"structure_string": "Li4 Fe3 Ni2 Sb3 O16\n1.0\n5.969305 -0.012818 0.065823\n2.980334 5.172076 0.065823\n0.019411 0.011190 9.419071\nLi Fe Ni Sb O\n4 3 2 3 16\ndirect\n0.660737 0.660738 0.142835 Li\n0.883078 0.883080 0.037624 Li\n0.986061 0.986063 0.493365 Li\n0.339297 0.339297 0.600292 Li\n0.837799 0.837801 0.780870 Fe\n0.172151 0.669170 0.283879 Fe\n0.669169 0.172151 0.283879 Fe\n0.674431 0.674433 0.499341 Ni\n0.347448 0.347449 0.012184 Ni\n0.173459 0.173459 0.277823 Sb\n0.341503 0.840642 0.790988 Sb\n0.840641 0.341504 0.790988 Sb\n0.173109 0.173109 0.902598 O\n0.151363 0.689172 0.894677 O\n0.340176 0.340177 0.390244 O\n0.504968 0.036003 0.158858 O\n0.036003 0.504968 0.158858 O\n0.840762 0.840764 0.382001 O\n0.970670 0.528877 0.664932 O\n0.519856 0.519858 0.664146 O\n0.835960 0.319044 0.393833 O\n0.000200 0.000200 0.179569 O\n0.002493 0.002493 0.680063 O\n0.679869 0.679870 0.904172 O\n0.481737 0.481738 0.170697 O\n0.319044 0.835961 0.393833 O\n0.528875 0.970671 0.664932 O\n0.689171 0.151363 0.894677 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Sb",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sb",
"density": 5.326660128791796,
"density_atomic": 0.09616951185138897,
"volume": 291.15256447665536,
"volume_molar": 6.262006163976409,
"formula_full": "Li4 Fe3 Ni2 Sb3 O16",
"formula_reduced": "Li4Fe3Ni2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.628490914285714,
"spacegroup": 8
},
{
"id": "jvasp-46198",
"created_at": "2022-09-04T14:38:09.891836Z",
"updated_at": "2022-09-04T14:38:09.891853Z",
"structure_string": "Li4 Fe2 Ni2 P4 O16\n1.0\n0.000000 4.706110 -0.000691\n5.959381 0.000000 0.000000\n0.000000 -0.083885 -10.152907\nLi Fe Ni 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\n0.022280 0.750000 0.277880 Fe\n0.977719 0.250000 0.722120 Fe\n0.525165 0.250000 0.221665 Ni\n0.474834 0.750000 0.778335 Ni\n0.417178 0.250000 0.908290 P\n0.921433 0.750000 0.595589 P\n0.078566 0.250000 0.404411 P\n0.582821 0.750000 0.091710 P\n0.276615 0.044651 0.835640 O\n0.276615 0.455349 0.835640 O\n0.787674 0.541440 0.666254 O\n0.787674 0.958560 0.666254 O\n0.247323 0.750000 0.596553 O\n0.207847 0.250000 0.545983 O\n0.792152 0.750000 0.454017 O\n0.257204 0.750000 0.095567 O\n0.212325 0.041440 0.333746 O\n0.212325 0.458560 0.333746 O\n0.723384 0.544651 0.164360 O\n0.723384 0.955349 0.164360 O\n0.742795 0.250000 0.904433 O\n0.295417 0.250000 0.049818 O\n0.752676 0.250000 0.403447 O\n0.704582 0.750000 0.950182 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Li-Ni-O-P",
"density": 3.7131944251327096,
"density_atomic": 0.09833403728998996,
"volume": 284.7437242653546,
"volume_molar": 6.124167100187833,
"formula_full": "Li4 Fe2 Ni2 P4 O16",
"formula_reduced": "Li2FeNi(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6007162071428573,
"spacegroup": 11
},
{
"id": "jvasp-112846",
"created_at": "2022-09-04T14:38:44.823157Z",
"updated_at": "2022-09-04T14:38:44.823194Z",
"structure_string": "Li4 Fe1 Ni3 P4 O16\n1.0\n5.913129 -0.000000 0.000000\n0.000000 4.693996 0.007303\n-0.000000 0.010344 10.079190\nLi Fe Ni P O\n4 1 3 4 16\ndirect\n0.250924 -0.001089 0.996546 Li\n0.749076 -0.001089 0.996546 Li\n0.746857 0.500956 0.505390 Li\n0.253143 0.500956 0.505390 Li\n-0.000000 0.977999 0.278322 Fe\n0.500000 0.016889 0.725473 Ni\n0.500000 0.478176 0.222608 Ni\n-0.000000 0.519560 0.775502 Ni\n0.500000 0.923581 0.406681 P\n0.500000 0.579235 0.905827 P\n-0.000000 0.416034 0.091141 P\n-0.000000 0.082375 0.595933 P\n0.708646 0.786030 0.333808 O\n-0.000000 0.755627 0.596667 O\n-0.000000 0.742263 0.095488 O\n0.291737 0.721365 0.834266 O\n0.708263 0.721365 0.834266 O\n0.500000 0.702143 0.049010 O\n-0.000000 0.292086 0.948637 O\n0.209234 0.222474 0.666032 O\n0.206764 0.274687 0.164347 O\n0.500000 0.252500 0.903104 O\n0.500000 0.249899 0.403950 O\n0.790766 0.222474 0.666032 O\n0.291354 0.786030 0.333808 O\n-0.000000 0.207296 0.452150 O\n0.793236 0.274687 0.164347 O\n0.500000 0.795488 0.548728 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Li-Ni-O-P",
"density": 3.7962545946020216,
"density_atomic": 0.10008592883546197,
"volume": 279.7596058286185,
"volume_molar": 6.016970447364489,
"formula_full": "Li4 Fe1 Ni3 P4 O16",
"formula_reduced": "Li4FeNi3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.6688896678571425,
"spacegroup": 6
}
]
}