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{
"id": "jvasp-59199",
"created_at": "2022-09-04T14:38:10.121049Z",
"updated_at": "2022-09-04T14:38:10.121076Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.058602 0.000000 0.000000\n0.000000 6.799233 0.000000\n0.000000 0.000000 10.168468\nLi Mn P O\n4 4 4 16\ndirect\n0.317513 0.787135 0.846766 Li\n0.817513 0.287135 0.653235 Li\n0.182486 0.787135 0.346765 Li\n0.682486 0.287135 0.153235 Li\n0.316843 0.286577 0.844908 Mn\n0.816843 0.786576 0.655092 Mn\n0.183156 0.286577 0.344908 Mn\n0.683156 0.786576 0.155092 Mn\n0.820008 0.036800 0.907305 P\n0.320008 0.536800 0.592696 P\n0.679991 0.036800 0.407305 P\n0.179991 0.536800 0.092695 P\n0.375899 0.029612 0.386097 O\n0.247972 0.543492 0.444728 O\n0.752028 0.043493 0.555273 O\n0.786934 0.224606 0.337886 O\n0.195251 0.349951 0.655260 O\n0.213066 0.724606 0.662114 O\n0.713066 0.224606 0.837886 O\n0.875898 0.529612 0.113904 O\n0.747972 0.043493 0.055273 O\n0.252028 0.543492 0.944728 O\n0.286934 0.724606 0.162114 O\n0.304748 0.349951 0.155260 O\n0.804748 0.849951 0.344740 O\n0.124101 0.029612 0.886097 O\n0.695251 0.849951 0.844740 O\n0.624101 0.529612 0.613904 O\n",
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{
"id": "jvasp-40654",
"created_at": "2022-09-04T14:38:02.945838Z",
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 8.195386 0.038832\n5.273883 0.000000 0.000000\n0.000000 -2.385931 -8.043097\nLi Mn P O\n4 4 4 16\ndirect\n0.134980 0.335264 0.792171 Li\n0.630850 0.825590 0.613015 Li\n0.134980 0.664735 0.292171 Li\n0.630850 0.174410 0.113014 Li\n0.032066 0.836582 0.920052 Mn\n0.507842 0.322120 0.728417 Mn\n0.032066 0.163418 0.420052 Mn\n0.507842 0.677879 0.228417 Mn\n0.260993 0.180147 0.167944 P\n0.749987 0.327561 0.493460 P\n0.260993 0.819852 0.667944 P\n0.749987 0.672439 0.993460 P\n0.422789 0.315747 0.153666 O\n0.770725 0.201653 0.332201 O\n0.295503 0.892564 0.211837 O\n0.196921 0.310179 0.304819 O\n0.681349 0.602221 0.454812 O\n0.933650 0.316106 0.613592 O\n0.622530 0.177750 0.562925 O\n0.681349 0.397779 0.954812 O\n0.422789 0.684252 0.653666 O\n0.770725 0.798346 0.832201 O\n0.295504 0.107435 0.711837 O\n0.196921 0.689820 0.804820 O\n0.622530 0.822249 0.062924 O\n0.121019 0.191493 0.997294 O\n0.121019 0.808506 0.497294 O\n0.933650 0.683894 0.113592 O\n",
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{
"id": "jvasp-36866",
"created_at": "2022-09-04T14:38:13.908691Z",
"updated_at": "2022-09-04T14:38:13.908720Z",
"structure_string": "Li4 Fe2 Cu2 P4 O16\n1.0\n0.000000 4.720725 -0.012504\n6.036889 0.000000 0.000000\n0.000000 -0.198125 -10.126371\nLi Fe Cu P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500001 0.000000 0.500000 Li\n0.500001 0.500000 0.500000 Li\n0.478448 0.750000 0.218232 Fe\n0.521554 0.250000 0.781768 Fe\n0.949813 0.250000 0.283287 Cu\n0.050189 0.750000 0.716712 Cu\n0.576560 0.750000 0.905764 P\n0.084828 0.250000 0.594268 P\n0.915174 0.750000 0.405732 P\n0.423442 0.250000 0.094235 P\n0.702286 0.959701 0.837302 O\n0.702286 0.540299 0.837302 O\n0.229733 0.450500 0.667224 O\n0.229733 0.049500 0.667224 O\n0.760000 0.250000 0.600184 O\n0.801100 0.750000 0.548117 O\n0.198902 0.250000 0.451883 O\n0.748713 0.250000 0.093542 O\n0.770269 0.950500 0.332776 O\n0.770269 0.549500 0.332776 O\n0.297716 0.459701 0.162698 O\n0.297716 0.040299 0.162698 O\n0.251289 0.750000 0.906457 O\n0.711235 0.750000 0.048094 O\n0.240002 0.750000 0.399816 O\n0.288767 0.250000 0.951905 O\n",
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"volume_molar": 6.207133757780913,
"formula_full": "Li4 Fe2 Cu2 P4 O16",
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{
"id": "jvasp-51066",
"created_at": "2022-09-04T14:38:17.059897Z",
"updated_at": "2022-09-04T14:38:17.059924Z",
"structure_string": "K4 Sr4 V4 O16\n1.0\n5.860188 0.000000 0.000000\n0.000000 7.473053 0.000000\n0.000000 0.000000 9.983800\nK Sr V O\n4 4 4 16\ndirect\n0.484529 0.093432 0.577923 K\n0.515471 0.593432 0.922077 K\n0.015471 0.906567 0.077923 K\n0.984530 0.406567 0.422077 K\n0.978395 0.248945 0.801871 Sr\n0.478395 0.251055 0.198130 Sr\n0.521606 0.751055 0.301870 Sr\n0.021605 0.748944 0.698130 Sr\n0.515073 0.024581 0.915793 V\n0.984927 0.975419 0.415793 V\n0.015073 0.475419 0.084207 V\n0.484927 0.524581 0.584207 V\n0.430795 0.749121 0.563235 O\n0.238874 0.016751 0.330871 O\n0.492779 0.427798 0.426005 O\n0.007222 0.572201 0.926005 O\n0.756234 0.058514 0.325787 O\n0.992779 0.072202 0.573995 O\n0.261126 0.983249 0.830872 O\n0.243766 0.558513 0.174213 O\n0.569205 0.249122 0.936765 O\n0.743766 0.941486 0.825787 O\n0.069205 0.250878 0.063235 O\n0.256234 0.441486 0.674213 O\n0.738875 0.483249 0.669129 O\n0.507222 0.927798 0.073995 O\n0.761126 0.516751 0.169129 O\n0.930796 0.750878 0.436765 O\n",
"nsites": 28,
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"formula_full": "K4 Sr4 V4 O16",
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{
"id": "jvasp-44472",
"created_at": "2022-09-04T14:38:13.295910Z",
"updated_at": "2022-09-04T14:38:13.295934Z",
"structure_string": "Li4 Cu2 Sb2 P4 O16\n1.0\n0.000000 4.758281 0.256818\n6.895640 0.000000 0.000000\n0.000000 -1.109395 -10.294860\nLi Cu Sb 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\n0.967685 0.250000 0.260246 Cu\n0.032316 0.750000 0.739754 Cu\n0.441331 0.750000 0.218576 Sb\n0.558670 0.250000 0.781424 Sb\n0.562532 0.750000 0.926323 P\n0.098476 0.250000 0.567217 P\n0.901525 0.750000 0.432783 P\n0.437469 0.250000 0.073676 P\n0.673519 0.934227 0.867485 O\n0.673519 0.565773 0.867485 O\n0.259602 0.424398 0.648602 O\n0.259602 0.075602 0.648602 O\n0.778150 0.250000 0.565482 O\n0.808741 0.750000 0.568606 O\n0.191260 0.250000 0.431393 O\n0.764292 0.250000 0.079033 O\n0.740399 0.924398 0.351398 O\n0.740399 0.575602 0.351398 O\n0.326482 0.434227 0.132514 O\n0.326482 0.065773 0.132514 O\n0.235709 0.750000 0.920967 O\n0.716367 0.750000 0.076289 O\n0.221851 0.750000 0.434518 O\n0.283633 0.250000 0.923711 O\n",
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"formula_full": "Li4 Cu2 Sb2 P4 O16",
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{
"id": "jvasp-34692",
"created_at": "2022-09-04T14:38:13.925311Z",
"updated_at": "2022-09-04T14:38:13.925334Z",
"structure_string": "As16 S12\n1.0\n6.622815 -0.000000 0.000000\n-0.000000 9.823347 0.000000\n0.000000 0.000000 11.302866\nAs S\n16 12\ndirect\n0.203584 0.619649 0.069940 As\n0.606396 0.250000 0.087129 As\n0.296416 0.880351 0.569940 As\n0.296416 0.619649 0.569940 As\n0.326256 0.250000 0.810365 As\n0.826256 0.750000 0.689636 As\n0.703584 0.380351 0.430060 As\n0.106395 0.750000 0.412871 As\n0.673745 0.750000 0.189636 As\n0.393605 0.750000 0.912871 As\n0.796417 0.380351 0.930061 As\n0.893605 0.250000 0.587129 As\n0.203584 0.880351 0.069940 As\n0.703584 0.119649 0.430060 As\n0.796417 0.119649 0.930061 As\n0.173745 0.250000 0.310364 As\n0.947274 0.075736 0.296085 S\n0.552728 0.075736 0.796085 S\n0.290907 0.250000 0.011047 S\n0.947274 0.424264 0.296085 S\n0.209094 0.250000 0.511048 S\n0.552728 0.424264 0.796085 S\n0.709094 0.750000 0.988953 S\n0.447273 0.575737 0.203916 S\n0.790907 0.750000 0.488953 S\n0.052727 0.924264 0.703916 S\n0.447273 0.924264 0.203916 S\n0.052727 0.575737 0.703916 S\n",
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{
"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",
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{
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"created_at": "2022-09-04T14:38:09.885950Z",
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"structure_string": "Ba4 H8 O16\n1.0\n0.000000 4.167832 -0.023458\n9.465524 0.000000 0.000000\n0.000000 -1.233726 -8.265963\nBa H O\n4 8 16\ndirect\n0.355513 0.304155 0.376849 Ba\n0.644486 0.804155 0.123151 Ba\n0.644486 0.695845 0.623151 Ba\n0.355513 0.195845 0.876848 Ba\n0.232179 0.563144 0.872696 H\n0.767819 0.063145 0.627304 H\n0.232179 0.936855 0.372696 H\n0.767820 0.436855 0.127304 H\n0.938370 0.387531 0.657977 H\n0.938371 0.112469 0.157978 H\n0.061628 0.612469 0.342022 H\n0.061628 0.887531 0.842022 H\n0.064597 0.809903 0.430336 O\n0.639477 0.510162 0.188657 O\n0.360523 0.010162 0.311343 O\n0.064597 0.690096 0.930336 O\n0.935401 0.190096 0.569664 O\n0.935402 0.309904 0.069664 O\n0.214545 0.797227 0.831394 O\n0.169868 0.004206 0.145381 O\n0.785454 0.202772 0.168606 O\n0.214546 0.702772 0.331394 O\n0.830131 -0.004206 0.854619 O\n0.169867 0.495793 0.645381 O\n0.639476 0.989837 0.688657 O\n0.830132 0.504206 0.354619 O\n0.785453 0.297228 0.668606 O\n0.360522 0.489838 0.811343 O\n",
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{
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"created_at": "2022-09-04T14:38:02.648847Z",
"updated_at": "2022-09-04T14:38:02.648874Z",
"structure_string": "As2 H10 C2 O2 F12\n1.0\n4.729865 0.000000 -0.639310\n0.000000 7.124299 0.000000\n0.073481 0.000000 8.464742\nAs H C O F\n2 10 2 2 12\ndirect\n0.933144 0.750000 0.700243 As\n0.066855 0.250000 0.299756 As\n0.608715 0.376493 0.925901 H\n0.583357 0.366925 0.646802 H\n0.583357 0.133075 0.646802 H\n0.416642 0.866925 0.353198 H\n0.091353 0.750000 0.132693 H\n0.416642 0.633075 0.353198 H\n0.608715 0.123507 0.925901 H\n0.391284 0.876493 0.074099 H\n0.908646 0.250000 0.867307 H\n0.391284 0.623507 0.074099 H\n0.679871 0.250000 0.870010 C\n0.320127 0.750000 0.129989 C\n0.534924 0.250000 0.704346 O\n0.465075 0.750000 0.295654 O\n0.159678 0.929866 0.781806 F\n0.090401 0.750000 0.523334 F\n0.159678 0.570134 0.781806 F\n0.757885 0.750000 0.871937 F\n0.840321 0.070134 0.218194 F\n0.314960 0.422409 0.388585 F\n0.909598 0.250000 0.476666 F\n0.685038 0.577591 0.611415 F\n0.242114 0.250000 0.128062 F\n0.840321 0.429866 0.218194 F\n0.685038 0.922409 0.611415 F\n0.314960 0.077591 0.388585 F\n",
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{
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"created_at": "2022-09-04T14:38:13.337622Z",
"updated_at": "2022-09-04T14:38:13.337652Z",
"structure_string": "Na12 Al4 Te12\n1.0\n7.718440 0.000000 0.000000\n0.000000 8.042461 -0.069999\n0.000000 -0.031937 14.092377\nNa Al Te\n12 4 12\ndirect\n0.479786 0.723265 0.777493 Na\n0.979786 0.776734 0.722507 Na\n0.520214 0.276734 0.222507 Na\n0.020214 0.223265 0.277493 Na\n0.499664 0.327368 0.604930 Na\n0.999664 0.172631 0.895070 Na\n0.500336 0.672632 0.395070 Na\n0.000336 0.827368 0.104930 Na\n0.501241 0.221096 0.901157 Na\n0.001241 0.278904 0.598843 Na\n0.498759 0.778904 0.098843 Na\n-0.001241 0.721096 0.401157 Na\n0.640421 0.083888 0.416884 Al\n0.140421 0.416112 0.083116 Al\n0.359579 0.916112 0.583116 Al\n0.859579 0.583887 0.916884 Al\n0.709296 0.918574 0.574270 Te\n0.209296 0.581425 0.925730 Te\n0.290704 0.081425 0.425730 Te\n0.790704 0.418574 0.074270 Te\n0.258894 0.077279 0.733830 Te\n0.758894 0.422720 0.766170 Te\n0.741106 0.922720 0.266170 Te\n0.241106 0.577279 0.233830 Te\n0.740579 0.885348 0.924788 Te\n0.240579 0.614652 0.575213 Te\n0.259421 0.114652 0.075213 Te\n0.759421 0.385348 0.424788 Te\n",
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"volume_molar": 18.814256195917523,
"formula_full": "Na12 Al4 Te12",
"formula_reduced": "Na3AlTe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"id": "jvasp-40672",
"created_at": "2022-09-04T14:38:02.650852Z",
"updated_at": "2022-09-04T14:38:02.650873Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.004806 -0.000000 0.000000\n0.000000 6.328723 0.000000\n0.000000 0.000000 9.336023\nLi Mn P O\n4 4 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\n0.527097 0.250000 0.146795 Mn\n0.027096 0.750000 0.353205 Mn\n0.972905 0.250000 0.646795 Mn\n0.472904 0.750000 0.853205 Mn\n0.460058 0.250000 0.820081 P\n0.960058 0.750000 0.679918 P\n0.039943 0.250000 0.320081 P\n0.539943 0.750000 0.179918 P\n0.328587 0.447386 0.889031 O\n0.894957 0.750000 0.844041 O\n0.394957 0.250000 0.655959 O\n0.828587 0.552614 0.610969 O\n0.828587 0.947385 0.610969 O\n0.265397 0.750000 0.651526 O\n0.734603 0.250000 0.348474 O\n0.671414 0.947385 0.110970 O\n0.171413 0.052614 0.389030 O\n0.605044 0.750000 0.344041 O\n0.105043 0.250000 0.155959 O\n0.671414 0.552614 0.110970 O\n0.328587 0.052614 0.889031 O\n0.234603 0.750000 0.151526 O\n0.171413 0.447386 0.389030 O\n0.765398 0.250000 0.848474 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
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"formula_full": "Li4 Mn4 P4 O16",
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{
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"updated_at": "2022-09-04T14:38:13.656436Z",
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"formula_reduced": "As(S8I)3",
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}
]
}