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{
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"results": [
{
"id": "jvasp-47022",
"created_at": "2022-09-04T14:38:10.003010Z",
"updated_at": "2022-09-04T14:38:10.003042Z",
"structure_string": "V3 O5 F1\n1.0\n4.991865 0.003138 -0.043325\n-2.459330 4.318023 0.028460\n-2.294041 -1.484556 4.606683\nV O F\n3 5 1\ndirect\n0.313754 0.643682 0.940928 V\n0.723043 0.854772 0.550639 V\n0.653223 0.313359 0.020667 V\n0.527738 0.591835 0.763697 O\n0.180140 0.926333 0.769592 O\n0.860119 0.257669 0.792512 O\n0.743437 0.057376 0.246722 O\n0.549481 0.489409 0.247076 O\n0.173571 0.711694 0.256310 F\n",
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{
"id": "jvasp-13254",
"created_at": "2022-09-04T14:38:10.076287Z",
"updated_at": "2022-09-04T14:38:10.076318Z",
"structure_string": "Nb1 Bi3 O7\n1.0\n3.812129 0.019077 0.014307\n1.788854 3.433837 -0.002856\n1.803424 1.124242 12.667926\nNb Bi O\n1 3 7\ndirect\n0.540557 0.459983 0.505037 Nb\n0.957243 0.065320 -0.000356 Bi\n0.217917 0.288577 0.273544 Bi\n0.715670 0.811295 0.737410 Bi\n0.513475 0.628810 0.349762 O\n0.894643 0.009269 0.188936 O\n0.772712 0.878652 0.542824 O\n0.137632 0.255037 0.464497 O\n0.018541 0.126923 0.814475 O\n0.402420 0.497896 0.659058 O\n0.625677 0.726743 0.987315 O\n",
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"volume": 165.34607106712315,
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"formula_anonymous": "AB3C7",
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{
"id": "jvasp-46403",
"created_at": "2022-09-04T14:38:10.760045Z",
"updated_at": "2022-09-04T14:38:10.760082Z",
"structure_string": "Li1 Sb1 Te2 W1 O12\n1.0\n5.084708 0.003518 0.001537\n-0.004477 5.332048 -0.048297\n-0.021744 -0.457611 7.357129\nLi Sb Te W O\n1 1 2 1 12\ndirect\n0.998716 0.578382 0.715288 Li\n0.499301 0.500071 0.491329 Sb\n0.503904 0.507095 -0.000941 Te\n0.000447 0.003702 0.496480 Te\n0.001711 0.012926 0.004065 W\n0.694572 0.193485 0.940042 O\n0.821232 0.314707 0.569521 O\n0.193329 0.310945 0.058447 O\n0.637448 0.505743 0.241295 O\n0.364408 0.496926 0.753068 O\n0.166121 0.679261 0.443874 O\n0.875381 0.005828 0.246634 O\n0.303087 0.811583 0.057746 O\n0.112019 -0.009880 0.752415 O\n0.316804 0.173300 0.431374 O\n0.812186 0.690332 0.933859 O\n0.699338 0.811201 0.572704 O\n",
"nsites": 17,
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"elements": [
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],
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"density": 6.328287481376859,
"density_atomic": 0.08527555914032568,
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{
"id": "jvasp-47439",
"created_at": "2022-09-04T14:38:10.741945Z",
"updated_at": "2022-09-04T14:38:10.741974Z",
"structure_string": "Li3 Mn3 O5 F3\n1.0\n5.719584 0.015963 0.007361\n-2.630843 5.180621 0.009279\n-2.858246 -1.784052 4.829132\nLi Mn O F\n3 3 5 3\ndirect\n0.007562 0.027923 0.991046 Li\n0.242073 0.619379 0.871744 Li\n0.499196 0.226704 0.754185 Li\n0.750889 0.130749 0.383031 Mn\n0.749243 0.612296 0.389238 Mn\n0.248296 0.625854 0.373981 Mn\n0.755022 0.383740 0.595900 O\n0.301630 0.425407 0.161253 O\n0.715553 0.871721 0.576715 O\n0.783331 0.376595 0.176305 O\n0.197240 0.827517 0.586919 O\n0.264609 0.380514 0.647267 F\n0.239455 0.870135 0.100070 F\n0.745890 0.871462 0.142343 F\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.732522101447344,
"density_atomic": 0.09753881169274345,
"volume": 143.5326077592716,
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"formula_full": "Li3 Mn3 O5 F3",
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{
"id": "jvasp-48227",
"created_at": "2022-09-04T14:38:10.884622Z",
"updated_at": "2022-09-04T14:38:10.884649Z",
"structure_string": "Li1 Co2 C4 O12\n1.0\n5.035875 0.084489 -0.035286\n-2.366497 5.518475 0.074813\n-0.084698 -0.108320 7.527643\nLi Co C O\n1 2 4 12\ndirect\n0.796170 0.197875 0.444925 Li\n0.997484 0.997459 0.000313 Co\n0.497116 0.508026 0.497839 Co\n0.759941 0.876215 0.733343 C\n0.263706 0.366857 0.763967 C\n0.728820 0.627327 0.230452 C\n0.251004 0.122833 0.268058 C\n0.529636 0.403633 0.736696 O\n-0.009213 0.114988 0.246183 O\n0.143806 0.312161 0.915176 O\n0.134149 0.407413 0.622426 O\n0.846009 0.568246 0.370190 O\n0.471017 0.613963 0.258579 O\n0.017248 0.884379 0.764933 O\n0.395017 0.185287 0.416220 O\n0.634210 0.831462 0.578275 O\n0.647535 0.936439 0.867932 O\n0.857532 0.681678 0.082236 O\n0.352512 0.057494 0.132088 O\n",
"nsites": 19,
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"elements": [
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],
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"density_atomic": 0.090168898654819,
"volume": 210.71567118430764,
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"formula_full": "Li1 Co2 C4 O12",
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{
"id": "jvasp-45911",
"created_at": "2022-09-04T14:38:10.897092Z",
"updated_at": "2022-09-04T14:38:10.897115Z",
"structure_string": "Li4 Fe2 Te1 W1 O12\n1.0\n5.002431 -0.002824 -0.002110\n0.000226 5.246881 -0.018991\n0.007384 0.506815 7.233771\nLi Fe Te W O\n4 2 1 1 12\ndirect\n0.994291 0.423141 0.717507 Li\n0.505271 0.932275 0.210386 Li\n0.001828 0.428950 0.210262 Li\n0.498171 0.927466 0.717401 Li\n0.999800 0.000559 0.497745 Fe\n0.499464 0.497244 0.001040 Fe\n0.499289 0.498804 0.499247 Te\n0.000104 0.995864 0.997153 W\n0.311710 0.203678 0.063667 O\n0.168207 0.325551 0.442101 O\n0.806734 0.319289 0.949670 O\n0.366622 0.519791 0.756188 O\n0.634028 0.521821 0.246679 O\n0.884794 0.009952 0.258273 O\n0.812135 0.701181 0.575903 O\n0.682662 0.815473 0.948505 O\n0.120246 0.014922 0.749505 O\n0.697945 0.192294 0.579660 O\n0.197906 0.695859 0.065869 O\n0.318787 0.833497 0.442034 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.105310724759948,
"volume": 189.91418058881732,
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"formula_full": "Li4 Fe2 Te1 W1 O12",
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"formula_anonymous": "ABC2D4E12",
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"spacegroup": 1
},
{
"id": "jvasp-44230",
"created_at": "2022-09-04T14:38:11.264995Z",
"updated_at": "2022-09-04T14:38:11.265027Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.572881 0.010811 0.025174\n0.209724 5.459338 0.073303\n0.179182 0.614803 7.469915\nMn O F\n6 8 4\ndirect\n0.486262 0.508086 0.994291 Mn\n0.500668 0.825881 0.661828 Mn\n0.508794 0.184502 0.353435 Mn\n-0.000524 0.333167 0.672818 Mn\n0.976209 0.655910 0.319520 Mn\n0.023964 0.990953 -0.001370 Mn\n0.185843 0.281388 0.897982 O\n0.298154 0.788042 0.889846 O\n0.304513 0.464611 0.228869 O\n0.303484 0.130879 0.569384 O\n0.688169 0.533266 0.769568 O\n0.810623 0.710898 0.102716 O\n0.805627 0.378787 0.437163 O\n0.707995 0.879858 0.436611 O\n0.198754 0.638700 0.550859 F\n0.783886 0.026379 0.769874 F\n0.702881 0.201819 0.104435 F\n0.214683 0.966872 0.242164 F\n",
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"density": 4.757759583561191,
"density_atomic": 0.09664873544378726,
"volume": 186.24144348447416,
"volume_molar": 6.23095660005049,
"formula_full": "Mn6 O8 F4",
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"formula_anonymous": "A2B3C4",
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{
"id": "jvasp-59202",
"created_at": "2022-09-04T14:38:11.414907Z",
"updated_at": "2022-09-04T14:38:11.414927Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n-5.170976 0.025757 -0.020399\n0.640064 6.900309 0.053779\n-0.184159 -3.090800 -7.384037\nLi Mn P O\n2 2 4 14\ndirect\n0.704607 0.147504 0.988784 Li\n0.265439 0.931254 0.441082 Li\n0.790165 0.756500 0.728339 Mn\n0.225366 0.220800 0.270377 Mn\n0.236884 0.120684 0.830404 P\n0.284915 0.458976 0.696404 P\n0.745789 0.872514 0.171374 P\n0.721117 0.530703 0.302659 P\n0.328883 0.145744 0.020438 O\n0.411631 0.994174 0.682918 O\n0.176916 0.275015 0.521347 O\n0.579266 0.504191 0.677504 O\n0.544860 0.990153 0.301823 O\n0.692226 0.858577 0.978799 O\n0.945791 0.045992 0.795739 O\n0.853147 0.699853 0.473908 O\n0.863721 0.332679 0.214695 O\n0.253003 0.362661 0.850015 O\n0.134795 0.650502 0.762415 O\n0.730766 0.630759 0.151260 O\n0.031167 0.953539 0.229262 O\n0.430013 0.484728 0.332117 O\n",
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"density_atomic": 0.08373020511551249,
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"formula_full": "Li2 Mn2 P4 O14",
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{
"id": "jvasp-42927",
"created_at": "2022-09-04T14:38:12.058248Z",
"updated_at": "2022-09-04T14:38:12.058263Z",
"structure_string": "Fe6 O5 F7\n1.0\n5.626912 0.017267 -0.007969\n1.637075 5.369661 -0.002945\n2.204883 1.636823 6.613126\nFe O F\n6 5 7\ndirect\n0.297776 0.320525 0.163097 Fe\n0.674766 0.643507 0.333862 Fe\n0.381610 0.325132 0.692576 Fe\n0.671514 0.690896 0.820894 Fe\n0.984125 0.027207 0.501134 Fe\n0.984087 -0.001698 0.997324 Fe\n0.953438 0.372648 0.330491 O\n0.644346 0.040692 0.670634 O\n0.581701 0.574752 0.618729 O\n0.223820 0.227745 0.964078 O\n0.760299 0.760318 0.049369 O\n0.370498 0.948559 0.337247 F\n0.050341 0.637059 0.664715 F\n0.116554 0.107362 0.693497 F\n0.414656 0.415559 0.368562 F\n0.906141 0.902586 0.301022 F\n0.298910 0.699536 -0.004192 F\n0.685412 0.307609 -0.003027 F\n",
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{
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"updated_at": "2022-09-04T14:38:12.033379Z",
"structure_string": "V6 O12 F6\n1.0\n5.085667 0.004769 -0.002148\n2.489459 4.446841 -0.002335\n0.167412 0.198672 12.922238\nV O F\n6 12 6\ndirect\n0.956571 0.071900 0.499877 V\n0.033831 0.933681 0.996312 V\n0.619917 0.684557 0.162968 V\n0.294069 0.328761 0.333726 V\n0.644861 0.713533 0.666198 V\n0.393967 0.294933 0.833377 V\n0.266558 0.080173 0.418557 O\n0.918110 0.327733 0.585972 O\n0.666136 0.078588 0.919093 O\n0.014074 0.413856 0.252692 O\n0.671536 0.260850 0.419017 O\n0.349908 0.924084 0.079164 O\n0.576972 0.401909 0.749750 O\n0.408878 0.983079 0.751131 O\n0.932369 0.754511 0.084843 O\n0.249409 0.659769 0.914113 O\n0.747755 0.908934 0.584741 O\n0.426188 0.594614 0.247873 O\n0.602953 0.008057 0.249292 F\n0.083782 0.664742 0.416228 F\n0.985700 0.582314 0.751475 F\n0.335439 0.729666 0.583612 F\n0.071018 0.255158 0.916131 F\n0.750006 0.344596 0.083853 F\n",
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{
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"created_at": "2022-09-04T14:38:12.807303Z",
"updated_at": "2022-09-04T14:38:12.807334Z",
"structure_string": "Al4 C3\n1.0\n4.644823 0.297689 0.274447\n-2.016657 3.659361 0.145288\n-1.720253 -0.875544 4.648423\nAl C\n4 3\ndirect\n0.124629 0.468913 0.006100 Al\n0.210020 0.080903 0.633632 Al\n0.564784 0.174070 0.227693 Al\n0.579969 0.741560 0.672156 Al\n0.040889 0.915235 0.978208 C\n0.609314 0.681544 0.280818 C\n0.919068 -0.011953 0.218280 C\n",
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{
"id": "jvasp-44252",
"created_at": "2022-09-04T14:38:12.814936Z",
"updated_at": "2022-09-04T14:38:12.814956Z",
"structure_string": "V4 O5 F7\n1.0\n-5.031868 0.019313 0.751856\n2.333219 4.459091 -1.502335\n1.121736 -0.422080 -8.764206\nV O F\n4 5 7\ndirect\n0.749523 0.224324 0.266770 V\n0.543704 0.514552 0.500695 V\n0.215945 0.745872 0.760065 V\n-0.023785 0.005916 0.004039 V\n0.717363 0.883342 0.378980 O\n0.834490 0.160403 0.081436 O\n0.838479 0.589067 0.670920 O\n0.180509 0.832256 0.917619 O\n0.669994 0.343575 0.414267 O\n0.327190 0.661532 0.581595 F\n0.320670 0.064798 0.175050 F\n0.765185 0.611503 0.114534 F\n0.175473 0.436881 0.323960 F\n0.276689 0.123019 0.619797 F\n0.232257 0.375153 0.873817 F\n0.676303 0.927803 0.816455 F\n",
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}
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