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{
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"results": [
{
"id": "jvasp-117289",
"created_at": "2022-09-04T14:38:26.249680Z",
"updated_at": "2022-09-04T14:38:26.249706Z",
"structure_string": "Li4 Co1 Sn3 P4 O16\n1.0\n6.834042 -0.000000 0.000000\n0.000000 4.769405 0.105485\n0.000000 0.011612 10.731037\nLi Co Sn P O\n4 1 3 4 16\ndirect\n0.277885 0.950278 0.003458 Li\n0.722115 0.950278 0.003458 Li\n0.765330 0.505249 0.485628 Li\n0.234670 0.505249 0.485628 Li\n-0.000000 0.042654 0.270457 Co\n-0.000000 0.450251 0.782029 Sn\n0.500000 0.557110 0.217837 Sn\n0.500000 0.920228 0.703241 Sn\n-0.000000 0.924786 0.557578 P\n-0.000000 0.621595 0.101641 P\n0.500000 0.365232 0.928082 P\n0.500000 0.110955 0.419709 P\n0.820300 0.794542 0.628891 O\n0.500000 0.789904 0.433032 O\n0.500000 0.683041 0.946999 O\n0.178931 0.767542 0.163389 O\n0.821069 0.767542 0.163389 O\n-0.000000 0.719312 0.960961 O\n0.500000 0.207400 0.057390 O\n0.315753 0.232378 0.349811 O\n0.317035 0.257372 0.855001 O\n-0.000000 0.301402 0.118530 O\n-0.000000 0.245761 0.553478 O\n0.684246 0.232378 0.349811 O\n0.179700 0.794542 0.628891 O\n0.500000 0.246892 0.552929 O\n0.682965 0.257372 0.855001 O\n-0.000000 0.798735 0.423744 O\n",
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"elements": [
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],
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"density": 3.90592701852546,
"density_atomic": 0.08005434100704983,
"volume": 349.7624194737201,
"volume_molar": 7.522566152246098,
"formula_full": "Li4 Co1 Sn3 P4 O16",
"formula_reduced": "Li4CoSn3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
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"spacegroup": 6
},
{
"id": "jvasp-59273",
"created_at": "2022-09-04T14:38:12.371337Z",
"updated_at": "2022-09-04T14:38:12.371357Z",
"structure_string": "Zn3 Ga1 B6 P1 O12\n1.0\n6.628302 0.000000 0.000000\n-2.209435 6.282905 0.000000\n-2.209435 -3.141453 5.441155\nZn Ga B P O\n3 1 6 1 12\ndirect\n0.000049 0.000001 0.665286 Zn\n0.000048 0.665285 -0.000000 Zn\n0.334764 0.334714 0.334715 Zn\n0.654529 -0.000000 -0.000000 Ga\n0.750351 0.247878 0.501676 B\n0.248676 0.746202 0.498325 B\n0.502473 0.752122 0.253798 B\n0.248676 0.498325 0.746203 B\n0.502474 0.253798 0.752123 B\n0.750351 0.501675 0.247878 B\n0.993740 -0.000000 -0.000000 P\n-0.000024 0.431474 0.713165 O\n0.720456 0.427072 -0.000000 O\n0.706950 0.275920 0.275920 O\n0.568501 0.568526 0.281691 O\n0.568501 0.281691 0.568526 O\n0.431030 0.724080 -0.000000 O\n0.286810 0.718309 0.286835 O\n0.293384 0.572928 0.572928 O\n0.431030 0.000001 0.724081 O\n-0.000025 0.713165 0.431474 O\n0.720457 0.000000 0.427073 O\n0.286811 0.286836 0.718310 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"Ga",
"B",
"P",
"O"
],
"chemical_system": "B-Ga-O-P-Zn",
"density": 4.058209800188687,
"density_atomic": 0.10150184995392607,
"volume": 226.5968552340692,
"volume_molar": 5.9330354695343805,
"formula_full": "Zn3 Ga1 B6 P1 O12",
"formula_reduced": "Zn3GaB6PO12",
"formula_anonymous": "ABC3D6E12",
"energy_above_hull": 2.8713037619565216,
"spacegroup": 160
},
{
"id": "jvasp-44783",
"created_at": "2022-09-04T14:38:08.939646Z",
"updated_at": "2022-09-04T14:38:08.939671Z",
"structure_string": "Li4 Ti2 V3 Cr3 O16\n1.0\n5.819213 0.001316 -0.000446\n-2.909545 -5.040913 0.005644\n-0.048175 0.017256 -9.463685\nLi Ti V Cr O\n4 2 3 3 16\ndirect\n0.659706 0.329859 0.103751 Li\n0.001270 0.000640 0.005410 Li\n0.004019 0.002046 0.505126 Li\n0.328117 0.664065 0.607425 Li\n0.669425 0.334745 0.505439 Ti\n0.335250 0.667621 0.002489 Ti\n0.172868 0.821171 0.283211 V\n0.348967 0.174472 0.780811 V\n0.172855 0.351723 0.283207 V\n0.662777 0.831407 0.286702 Cr\n0.827331 0.658566 0.785616 Cr\n0.827330 0.168773 0.785615 Cr\n0.666356 0.833181 0.903832 O\n0.167465 0.833968 0.902214 O\n0.335011 0.667522 0.401262 O\n0.479576 0.519772 0.160758 O\n0.479575 0.959824 0.160755 O\n0.334581 0.167313 0.400849 O\n0.515497 0.034868 0.657926 O\n0.957286 0.478645 0.661979 O\n0.837214 0.169935 0.403409 O\n0.005174 0.002602 0.193865 O\n0.003656 0.001832 0.693348 O\n0.659245 0.329629 0.897567 O\n0.029257 0.514640 0.156025 O\n0.837219 0.667328 0.403419 O\n0.515495 0.480632 0.657929 O\n0.167463 0.333495 0.902217 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.10087456469082524,
"volume": 277.57244936638284,
"volume_molar": 5.969929861365466,
"formula_full": "Li4 Ti2 V3 Cr3 O16",
"formula_reduced": "Li4Ti2V3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
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"spacegroup": 8
},
{
"id": "jvasp-35198",
"created_at": "2022-09-04T14:38:12.027599Z",
"updated_at": "2022-09-04T14:38:12.027629Z",
"structure_string": "Na2 Li4 B2 P4 O16\n1.0\n-5.444135 0.013539 0.028289\n-0.328032 -7.405406 0.007027\n2.631465 1.724889 7.347138\nNa Li B P O\n2 4 2 4 16\ndirect\n0.252690 0.882969 0.743590 Na\n0.747309 0.117031 0.256411 Na\n0.309057 0.503607 0.857898 Li\n0.690941 0.496394 0.142103 Li\n0.858307 0.467186 0.596227 Li\n0.141691 0.532815 0.403774 Li\n0.748533 0.047579 0.766593 B\n0.251466 0.952421 0.233408 B\n0.146513 0.250587 0.054041 P\n0.853486 0.749413 0.945959 P\n0.378234 0.227797 0.547399 P\n0.621764 0.772203 0.452602 P\n0.197936 0.067802 0.393992 O\n0.802063 0.932199 0.606009 O\n0.356996 0.376984 0.054406 O\n0.643003 0.623016 0.945595 O\n0.275841 0.065118 0.106291 O\n0.724157 0.934882 0.893710 O\n0.200340 0.379561 0.597122 O\n0.032915 0.816720 0.149295 O\n0.987622 0.335137 0.176728 O\n0.012376 0.664864 0.823273 O\n0.496581 0.138312 0.717559 O\n0.503417 0.861688 0.282442 O\n0.411305 0.712943 0.515572 O\n0.967084 0.183280 0.850706 O\n0.799658 0.620439 0.402879 O\n0.588693 0.287057 0.484429 O\n",
"nsites": 28,
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"elements": [
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"Li",
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],
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"density": 2.6585657711666006,
"density_atomic": 0.09432641216020975,
"volume": 296.8415670516874,
"volume_molar": 6.384363215015141,
"formula_full": "Na2 Li4 B2 P4 O16",
"formula_reduced": "NaLi2B(PO4)2",
"formula_anonymous": "ABC2D2E8",
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},
{
"id": "jvasp-28806",
"created_at": "2022-09-04T14:38:16.343535Z",
"updated_at": "2022-09-04T14:38:16.343551Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.312359 0.000000 0.000000\n-1.656179 2.868666 0.000095\n0.000000 0.001265 37.996146\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333322 0.666645 0.708020 Te\n0.333385 0.666770 0.606866 Te\n0.333313 0.666626 0.093945 Mo\n0.333315 0.666630 0.469668 Mo\n0.666690 0.333379 0.281805 Mo\n0.666680 0.333359 0.657541 W\n0.333338 0.666678 0.325906 Se\n0.333380 0.666762 0.237701 Se\n0.666659 0.333316 0.053855 S\n0.666657 0.333312 0.429496 S\n0.666628 0.333255 0.134136 S\n0.666634 0.333266 0.509809 S\n",
"nsites": 12,
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"elements": [
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"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.659279435291089,
"density_atomic": 0.03323719096090119,
"volume": 361.04134113247676,
"volume_molar": 18.11868147065794,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
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"spacegroup": 156
},
{
"id": "jvasp-44769",
"created_at": "2022-09-04T14:38:12.249540Z",
"updated_at": "2022-09-04T14:38:12.249563Z",
"structure_string": "Li4 Ti3 Cr3 W2 O16\n1.0\n-5.904245 -0.000313 0.000236\n2.951777 5.082692 -0.018585\n-0.000267 -0.151382 -9.656281\nLi Ti Cr W O\n4 3 3 2 16\ndirect\n0.665953 0.331932 0.899900 Li\n0.997289 0.994588 0.991080 Li\n0.994767 0.989530 0.495086 Li\n0.333706 0.667434 0.404040 Li\n0.340119 0.175961 0.217436 Ti\n0.835820 0.175968 0.217436 Ti\n0.169706 0.339432 0.716496 Ti\n0.170278 0.830642 0.712324 Cr\n0.660345 0.830642 0.712323 Cr\n0.830299 0.660622 0.210971 Cr\n0.666277 0.332575 0.487996 W\n0.336176 0.672372 0.986519 W\n0.165924 0.331868 0.099219 O\n0.166206 0.834457 0.093361 O\n0.330343 0.660714 0.604646 O\n0.482455 0.519845 0.843322 O\n0.037363 0.519842 0.843321 O\n0.830892 0.661802 0.596588 O\n0.965385 0.488095 0.341728 O\n0.516907 0.033837 0.341919 O\n0.835257 0.167444 0.597369 O\n0.000368 0.000756 0.808108 O\n0.999604 0.999233 0.311312 O\n0.663453 0.326931 0.104058 O\n0.481735 0.963487 0.838816 O\n0.332174 0.167448 0.597372 O\n0.522685 0.488091 0.341729 O\n0.668232 0.834459 0.093359 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
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],
"chemical_system": "Cr-Li-O-Ti-W",
"density": 5.449554640743525,
"density_atomic": 0.09662257458377516,
"volume": 289.7873516682483,
"volume_molar": 6.232643650763613,
"formula_full": "Li4 Ti3 Cr3 W2 O16",
"formula_reduced": "Li4Ti3Cr3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
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},
{
"id": "jvasp-44777",
"created_at": "2022-09-04T14:38:12.250727Z",
"updated_at": "2022-09-04T14:38:12.250754Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n6.591472 -0.033692 -0.038344\n0.291756 6.464567 0.017577\n2.336918 0.706834 6.014399\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.157279 0.103474 0.776435 Li\n0.842721 0.896526 0.223567 Li\n0.723568 0.347074 0.895263 Mn\n0.276432 0.652926 0.104738 Mn\n0.230185 0.157053 0.226359 P\n0.813865 0.394366 0.360703 P\n0.186135 0.605634 0.639298 P\n0.769815 0.842947 0.773643 P\n0.499392 0.159255 0.347085 H\n0.500608 0.840745 0.652916 H\n0.984986 0.752744 0.609899 O\n0.282125 0.734642 0.768060 O\n0.637195 0.673751 0.948100 O\n0.331285 0.593085 0.402476 O\n0.921280 0.597949 0.227474 O\n0.078720 0.402051 0.772527 O\n0.834332 0.018878 0.874679 O\n0.362805 0.326249 0.051901 O\n0.717875 0.265358 0.231942 O\n0.015014 0.247256 0.390102 O\n0.165668 0.981122 0.125322 O\n0.352292 0.079226 0.391763 O\n0.668715 0.406914 0.597525 O\n0.647708 0.920774 0.608239 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
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"Mn",
"P",
"H",
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],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0624991258305485,
"density_atomic": 0.0934481784736528,
"volume": 256.8268359213301,
"volume_molar": 6.444363986931975,
"formula_full": "Li2 Mn2 P4 H2 O14",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9124868951149425,
"spacegroup": 2
},
{
"id": "jvasp-117399",
"created_at": "2022-09-04T14:38:26.451295Z",
"updated_at": "2022-09-04T14:38:26.451326Z",
"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n5.169246 -0.059539 1.767628\n-0.550260 5.136205 1.779199\n-0.020934 -0.042312 8.502245\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.006656 0.006655 0.986709 Ba\n0.506649 0.506633 0.986710 Ba\n0.247740 0.247731 0.504523 Y\n0.747732 0.747749 0.504524 Y\n0.362618 0.862608 0.274756 Mn\n0.867500 0.367505 0.265004 Mn\n0.138420 0.638426 0.723151 Co\n0.651393 0.151399 0.697217 Co\n0.097464 0.597448 0.314844 O\n0.587698 0.087703 0.314834 O\n0.408772 0.400201 0.691019 O\n0.900216 0.908797 0.690997 O\n0.484990 0.984949 0.030050 O\n0.408785 0.908785 0.690991 O\n-0.002007 0.498021 0.004014 O\n0.097485 0.087687 0.314814 O\n0.900218 0.400236 0.690995 O\n0.587682 0.597478 0.314848 O\n",
"nsites": 18,
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"elements": [
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"Y",
"Mn",
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"O"
],
"chemical_system": "Ba-Co-Mn-O-Y",
"density": 6.17118215230401,
"density_atomic": 0.07961739597165947,
"volume": 226.08124493806935,
"volume_molar": 7.563850445628285,
"formula_full": "Ba2 Y2 Mn2 Co2 O10",
"formula_reduced": "BaYMnCoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.6492674512643672,
"spacegroup": 107
},
{
"id": "jvasp-42904",
"created_at": "2022-09-04T14:38:12.629855Z",
"updated_at": "2022-09-04T14:38:12.629880Z",
"structure_string": "Li4 V2 Si2 C2 O14\n1.0\n0.000000 5.009857 0.013137\n6.297722 0.000000 0.000000\n0.000000 -0.445989 -8.426669\nLi V Si C O\n4 2 2 2 14\ndirect\n0.754092 0.487081 0.219852 Li\n0.754092 0.012919 0.219852 Li\n0.245908 0.512919 0.780147 Li\n0.245908 0.987080 0.780147 Li\n0.189991 0.250000 0.341635 V\n0.810009 0.750000 0.658365 V\n0.300454 0.750000 0.422009 Si\n0.699546 0.250000 0.577991 Si\n0.265197 0.250000 0.049624 C\n0.734803 0.750000 0.950376 C\n0.534531 0.750000 0.842479 O\n0.801524 0.040872 0.678880 O\n0.801524 0.459128 0.678880 O\n0.170211 0.750000 0.597321 O\n0.372058 0.250000 0.549434 O\n0.627942 0.750000 0.450566 O\n0.029216 0.250000 0.109670 O\n0.198476 0.540871 0.321119 O\n0.198476 0.959128 0.321119 O\n0.465470 0.250000 0.157521 O\n0.970785 0.750000 0.890329 O\n0.702167 0.750000 0.097710 O\n0.829790 0.250000 0.402678 O\n0.297833 0.250000 0.902290 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "C-Li-O-Si-V",
"density": 2.7099745113681113,
"density_atomic": 0.09028316354955238,
"volume": 265.8302950009885,
"volume_molar": 6.670281061534488,
"formula_full": "Li4 V2 Si2 C2 O14",
"formula_reduced": "Li2VSiCO7",
"formula_anonymous": "ABCD2E7",
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"spacegroup": 11
},
{
"id": "jvasp-117319",
"created_at": "2022-09-04T14:38:26.604712Z",
"updated_at": "2022-09-04T14:38:26.604733Z",
"structure_string": "Li4 V3 Cr3 Fe2 O16\n1.0\n5.729414 -0.000516 0.018714\n-2.848486 4.970661 -0.037331\n-0.000828 0.036475 9.284559\nLi V Cr Fe O\n4 3 3 2 16\ndirect\n0.331846 0.668164 0.108679 Li\n-0.001849 0.001847 0.004236 Li\n0.002027 0.997801 0.504556 Li\n0.665050 0.335047 0.612974 Li\n0.824097 0.651695 0.288050 V\n0.173017 0.827088 0.788648 V\n0.348248 0.175882 0.288076 V\n0.168425 0.343097 0.787997 Cr\n0.828656 0.171302 0.289118 Cr\n0.656989 0.831650 0.787993 Cr\n0.333897 0.666118 0.514571 Fe\n0.667098 0.332938 0.011414 Fe\n0.829674 0.170376 0.899317 O\n0.835424 0.661763 0.896301 O\n0.666167 0.333771 0.407521 O\n0.521346 0.045259 0.155417 O\n0.954750 0.478661 0.155398 O\n0.171199 0.828772 0.394121 O\n0.043065 0.525454 0.653437 O\n0.476755 0.523330 0.657637 O\n0.176869 0.338310 0.397984 O\n0.001639 0.998366 0.193078 O\n0.000867 0.999254 0.692678 O\n0.330113 0.669951 0.903982 O\n0.520322 0.479715 0.151285 O\n0.661646 0.823067 0.397972 O\n0.474628 0.956992 0.653417 O\n0.338310 0.164646 0.896303 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.4229031596329245,
"density_atomic": 0.10589734422625131,
"volume": 264.4070085476135,
"volume_molar": 5.686772226443757,
"formula_full": "Li4 V3 Cr3 Fe2 O16",
"formula_reduced": "Li4V3Cr3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
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},
{
"id": "jvasp-55788",
"created_at": "2022-09-04T14:38:16.383247Z",
"updated_at": "2022-09-04T14:38:16.383269Z",
"structure_string": "Na6 Fe2 P2 C2 O14\n1.0\n0.000000 5.150618 -0.011981\n6.581879 0.000000 0.000000\n0.000000 -0.100819 -9.024482\nNa Fe P C O\n6 2 2 2 14\ndirect\n0.751400 0.999926 0.262746 Na\n0.248600 0.000074 0.737254 Na\n0.765768 0.250000 0.917842 Na\n0.234232 0.750000 0.082158 Na\n0.248600 0.499926 0.737254 Na\n0.751400 0.500074 0.262746 Na\n0.779263 0.750000 0.645149 Fe\n0.220737 0.250000 0.354851 Fe\n0.298573 0.750000 0.413063 P\n0.701428 0.250000 0.586937 P\n0.272136 0.250000 0.058953 C\n0.727864 0.750000 0.941047 C\n0.517273 0.750000 0.860956 O\n0.048253 0.250000 0.124755 O\n0.401212 0.250000 0.562060 O\n0.598789 0.750000 0.437940 O\n0.283488 0.250000 0.915796 O\n0.716513 0.750000 0.084203 O\n0.222607 0.561577 0.317329 O\n0.777393 0.061577 0.682671 O\n0.777393 0.438423 0.682671 O\n0.222607 0.938423 0.317329 O\n0.161818 0.750000 0.564203 O\n0.482727 0.250000 0.139043 O\n0.838182 0.250000 0.435797 O\n0.951747 0.750000 0.875244 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 3.0372152412883207,
"density_atomic": 0.08498270368044177,
"volume": 305.9446084201689,
"volume_molar": 7.086313448728224,
"formula_full": "Na6 Fe2 P2 C2 O14",
"formula_reduced": "Na3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.420305576923078,
"spacegroup": 11
},
{
"id": "jvasp-43692",
"created_at": "2022-09-04T14:38:08.659581Z",
"updated_at": "2022-09-04T14:38:08.659604Z",
"structure_string": "Li2 V2 P4 H2 O16\n1.0\n4.839508 -0.032900 -0.002520\n1.947719 7.141464 -0.008856\n0.004873 0.008097 7.879068\nLi V P H O\n2 2 4 2 16\ndirect\n0.401657 0.145079 0.876972 Li\n0.901858 0.645023 0.625930 Li\n0.491782 0.004551 0.495919 V\n0.991685 0.504585 0.007033 V\n0.131054 0.741217 0.342154 P\n0.371093 0.763693 0.844744 P\n0.630918 0.241219 0.160754 P\n0.871094 0.263699 0.658175 P\n0.968763 0.011731 0.012382 H\n0.468932 0.511740 0.490435 H\n0.834551 0.368723 0.176962 O\n0.744195 0.444376 0.564622 O\n0.635305 0.641475 0.943198 O\n0.487943 0.807290 0.670228 O\n0.755187 0.061568 0.054876 O\n0.657729 0.140122 0.680217 O\n0.334738 0.868686 0.325952 O\n0.157834 0.640044 0.822702 O\n0.547334 0.185513 0.336871 O\n0.363242 0.342793 0.056672 O\n0.255388 0.561526 0.447945 O\n0.987799 0.307355 0.832705 O\n0.047329 0.685571 0.166054 O\n0.135355 0.141361 0.559807 O\n0.243998 0.944416 0.938217 O\n0.863424 0.842781 0.446320 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
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"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 3.029137105764352,
"density_atomic": 0.09530263839800199,
"volume": 272.8151123310883,
"volume_molar": 6.318965415050098,
"formula_full": "Li2 V2 P4 H2 O16",
"formula_reduced": "LiVP2HO8",
"formula_anonymous": "ABCD2E8",
"energy_above_hull": 2.935279476923077,
"spacegroup": 7
}
]
}