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{
"id": "jvasp-44787",
"created_at": "2022-09-04T14:38:11.286512Z",
"updated_at": "2022-09-04T14:38:11.286528Z",
"structure_string": "Li1 Fe3 O2 F6\n1.0\n-4.913011 0.524666 -0.055888\n0.463589 4.351086 -0.693555\n-0.028788 -0.891450 -5.573652\nLi Fe O F\n1 3 2 6\ndirect\n-0.227652 0.999023 0.656767 Li\n0.272344 0.499082 0.920585 Fe\n0.772326 0.499044 0.156803 Fe\n0.272286 0.499006 0.393038 Fe\n0.444762 0.288305 0.156700 O\n0.099888 0.709786 0.156921 O\n0.947376 0.258216 0.917203 F\n0.947337 0.258170 0.396135 F\n0.433017 0.272942 0.656682 F\n0.597302 0.739943 -0.082507 F\n0.111584 0.725121 0.656941 F\n0.597270 0.739832 0.396432 F\n",
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{
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"structure_string": "Li3 Co2 Ni1 O6\n1.0\n-2.841531 0.010637 -0.007600\n-0.021688 -5.687742 0.053946\n1.409553 1.423125 6.116372\nLi Co Ni O\n3 2 1 6\ndirect\n0.000351 0.507226 0.003644 Li\n0.332376 0.168809 0.667590 Li\n0.664436 0.830408 0.331599 Li\n0.000612 0.002484 0.004012 Co\n0.664181 0.335109 0.331186 Co\n0.332398 0.668794 0.667600 Ni\n0.499593 0.774668 0.001941 O\n0.820852 0.428614 0.644589 O\n0.158322 0.102468 0.319458 O\n0.843937 0.908982 0.690607 O\n0.165200 0.562922 0.333258 O\n0.506472 0.235118 0.015742 O\n",
"nsites": 12,
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"volume": 99.0118369889654,
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{
"id": "jvasp-46517",
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"updated_at": "2022-09-04T14:38:29.940474Z",
"structure_string": "Li3 Al2 V1 O6\n1.0\n2.490928 4.312284 0.013878\n-2.490928 4.312284 -0.013878\n-1.692513 0.000000 4.748198\nLi Al V O\n3 2 1 6\ndirect\n0.167951 0.167951 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.832048 0.832048 0.500000 Li\n0.333466 0.333466 0.000000 Al\n0.666533 0.666533 -0.000000 Al\n0.000000 0.000000 0.000000 V\n0.273990 0.726009 0.778796 O\n0.420678 0.926545 0.219272 O\n0.073454 0.579321 0.219272 O\n0.926545 0.420677 0.780728 O\n0.579322 0.073454 0.780728 O\n0.726010 0.273990 0.221205 O\n",
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"elements": [
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"formula_full": "Li3 Al2 V1 O6",
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{
"id": "jvasp-28761",
"created_at": "2022-09-04T14:38:16.345862Z",
"updated_at": "2022-09-04T14:38:16.345894Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.225722 -0.000001 0.000000\n-1.612862 2.793461 0.002588\n-0.000001 -0.024961 25.322881\nMo W Se S\n3 1 2 6\ndirect\n0.333090 0.666179 0.005563 Mo\n0.333844 0.667686 0.495914 Mo\n0.666609 0.333220 0.250762 Mo\n0.666460 0.332921 0.750677 W\n0.333133 0.666266 0.818646 Se\n0.333110 0.666220 0.682709 Se\n0.333289 0.666582 0.312197 S\n0.666410 0.332820 -0.055895 S\n0.667169 0.334339 0.434484 S\n0.666443 0.332885 0.066995 S\n0.667191 0.334379 0.557370 S\n0.333252 0.666506 0.189327 S\n",
"nsites": 12,
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},
{
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"created_at": "2022-09-04T14:38:29.062761Z",
"updated_at": "2022-09-04T14:38:29.062789Z",
"structure_string": "Te2 Mo1 W3 S6\n1.0\n3.279410 0.000011 -0.000640\n-1.639696 2.840187 0.000514\n-0.006608 0.002374 33.257010\nTe Mo W S\n2 1 3 6\ndirect\n0.333517 0.666671 0.726932 Te\n0.333161 0.667004 0.610187 Te\n0.666820 0.333882 0.277534 Mo\n0.333393 0.666617 0.092316 W\n0.333212 0.666208 0.464467 W\n0.666669 0.333498 0.668645 W\n0.333512 0.666849 0.323811 S\n0.666447 0.333127 0.045872 S\n0.666385 0.332986 0.417981 S\n0.666838 0.333063 0.138784 S\n0.666738 0.332869 0.510947 S\n0.333299 0.667225 0.231269 S\n",
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"formula_full": "Te2 Mo1 W3 S6",
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{
"id": "jvasp-119265",
"created_at": "2022-09-04T14:38:28.838754Z",
"updated_at": "2022-09-04T14:38:28.838776Z",
"structure_string": "Li6 Ni4 Sn2 O12\n1.0\n5.873405 0.002175 1.361734\n3.240652 5.799416 -0.597930\n0.000067 0.054989 6.658022\nLi Ni Sn O\n6 4 2 12\ndirect\n0.750220 0.833392 0.335060 Li\n0.249779 0.833279 0.331609 Li\n0.753466 0.500009 0.974805 Li\n0.243256 0.525991 0.981061 Li\n0.756740 0.140679 0.685605 Li\n0.246525 0.166658 0.691860 Li\n0.510563 0.984298 0.993158 Ni\n0.489438 0.682370 0.673508 Ni\n0.005651 0.990377 0.994001 Ni\n0.994349 0.676292 0.672665 Ni\n0.000000 0.333334 0.333333 Sn\n0.500002 0.333333 0.333332 Sn\n0.864748 0.095906 0.351027 O\n0.647976 0.229454 0.006755 O\n0.121245 0.225521 0.006405 O\n0.878758 0.441147 0.660260 O\n0.352024 0.437216 0.659910 O\n0.646937 0.895431 0.675084 O\n0.122147 0.893959 0.669230 O\n0.877852 0.772711 -0.002564 O\n0.353066 0.771236 0.991581 O\n0.628365 0.578036 0.330468 O\n0.135251 0.570765 0.315639 O\n0.371634 0.088633 0.336198 O\n",
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},
{
"id": "jvasp-41050",
"created_at": "2022-09-04T14:38:29.012661Z",
"updated_at": "2022-09-04T14:38:29.012682Z",
"structure_string": "Na6 Np2 H4 O12\n1.0\n0.000000 -2.955824 -5.225510\n0.000000 -2.955824 5.225510\n-10.052457 2.955824 0.000000\nNa Np H O\n6 2 4 12\ndirect\n0.131410 0.868589 0.000000 Na\n0.904956 0.318315 0.176046 Na\n0.978908 0.892268 0.323953 Na\n0.381410 0.618587 0.500000 Na\n0.107731 0.021091 0.676045 Na\n0.681686 0.095044 0.823955 Na\n0.470762 0.529238 0.000000 Np\n0.720762 0.279236 0.500000 Np\n0.573206 0.482190 0.711085 H\n0.112120 0.521106 0.788915 H\n0.478895 0.887880 0.211086 H\n0.517810 0.426795 0.288916 H\n0.671813 0.733674 0.883806 O\n0.814933 0.615286 0.112660 O\n0.266326 0.328188 0.116194 O\n0.518674 0.892711 0.122569 O\n0.646108 0.520143 0.377431 O\n0.400134 0.961993 0.383806 O\n0.952275 0.252625 0.387340 O\n0.747375 0.047726 0.612660 O\n0.038007 0.599866 0.616195 O\n0.479858 0.353892 0.622569 O\n0.107290 0.481325 0.877431 O\n0.384715 0.185067 0.887340 O\n",
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],
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"formula_full": "Na6 Np2 H4 O12",
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{
"id": "jvasp-31901",
"created_at": "2022-09-04T14:38:15.703760Z",
"updated_at": "2022-09-04T14:38:15.703801Z",
"structure_string": "Sb1 I3 Br2 Cl6\n1.0\n7.146852 -0.032621 0.857734\n1.059731 7.154389 0.286108\n-0.003664 0.053322 7.707742\nSb I Br Cl\n1 3 2 6\ndirect\n0.000000 0.500000 0.500000 Sb\n0.336375 0.771364 0.825302 I\n0.000000 0.000000 0.000000 I\n0.663625 0.228636 0.174697 I\n0.513408 0.747676 0.093491 Br\n0.486593 0.252324 0.906509 Br\n0.840421 0.218313 0.500056 Cl\n0.903117 0.526845 0.805713 Cl\n0.159579 0.781687 0.499943 Cl\n0.288695 0.298892 0.557616 Cl\n0.711305 0.701108 0.442384 Cl\n0.096884 0.473155 0.194286 Cl\n",
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{
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"created_at": "2022-09-04T14:36:37.544555Z",
"updated_at": "2022-09-04T14:36:37.544575Z",
"structure_string": "Li3 Mn1 Co2 O6\n1.0\n5.764866 -2.735751 -0.001436\n0.000000 -1.488377 2.433395\n-3.331815 -3.975739 -2.431746\nLi Mn Co O\n3 1 2 6\ndirect\n0.993482 0.003257 0.503278 Li\n0.333334 0.333331 0.833333 Li\n0.673186 0.663405 0.163388 Li\n0.333334 0.333332 0.333333 Mn\n-0.000020 0.000009 0.999110 Co\n0.666689 0.666654 0.667557 Co\n0.013881 0.493059 0.235890 O\n0.342729 0.828634 0.570477 O\n0.682009 0.158994 0.900230 O\n0.323940 0.838029 0.096191 O\n0.652788 0.173604 0.430777 O\n0.984660 0.507667 0.766438 O\n",
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{
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"created_at": "2022-09-04T14:36:20.428768Z",
"updated_at": "2022-09-04T14:36:20.428791Z",
"structure_string": "Li3 Ti2 Cu1 O6\n1.0\n15.499600 -0.004014 -0.002455\n9.487969 2.856676 0.019960\n9.487969 1.318946 2.534043\nLi Ti Cu O\n3 2 1 6\ndirect\n0.166666 0.500002 0.500000 Li\n0.515632 0.489561 0.489559 Li\n0.817698 0.510443 0.510442 Li\n0.033900 0.976607 0.976603 Ti\n0.299431 0.023396 0.023397 Ti\n0.666666 0.000000 0.000001 Cu\n0.192713 0.295057 0.295056 O\n0.566810 0.270761 0.270760 O\n0.140618 0.704947 0.704943 O\n0.954994 0.222020 0.222020 O\n0.378336 0.777984 0.777981 O\n0.766521 0.729243 0.729241 O\n",
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{
"id": "jvasp-28767",
"created_at": "2022-09-04T14:36:39.439803Z",
"updated_at": "2022-09-04T14:36:39.439828Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.388327 -0.000000 0.000000\n-1.694163 2.934372 0.006527\n-0.000000 -0.050283 26.883989\nTe Mo W Se\n2 3 1 6\ndirect\n0.333480 0.666959 0.821033 Te\n0.333760 0.667519 0.680327 Te\n0.331832 0.663661 0.008062 Mo\n0.335305 0.670608 0.493441 Mo\n0.665894 0.331788 0.250733 Mo\n0.666965 0.333928 0.750679 W\n0.332438 0.664876 0.312187 Se\n0.665241 0.330478 0.946583 Se\n0.668747 0.337492 0.431992 Se\n0.665123 0.330245 0.069509 Se\n0.668541 0.337080 0.554921 Se\n0.332684 0.665367 0.189280 Se\n",
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{
"id": "jvasp-95230",
"created_at": "2022-09-04T14:36:16.055765Z",
"updated_at": "2022-09-04T14:36:16.055794Z",
"structure_string": "K4 H12 Se8 O24\n1.0\n16.012339 0.000000 0.000000\n0.000000 6.176900 -0.000000\n0.000000 -0.000000 6.310571\nK H Se O\n4 12 8 24\ndirect\n0.500000 0.817717 0.750000 K\n0.000000 0.682283 0.250000 K\n0.500000 0.182283 0.250000 K\n0.000000 0.317717 0.750000 K\n0.500000 0.382422 0.750000 H\n0.000000 0.117578 0.250000 H\n0.500000 0.617578 0.250000 H\n0.000000 0.882422 0.750000 H\n0.174425 0.437532 0.465939 H\n0.325575 0.062468 0.965939 H\n0.674425 0.062468 0.534061 H\n0.825575 0.437532 0.034061 H\n0.825575 0.562468 0.534061 H\n0.674425 0.937532 0.034061 H\n0.325575 0.937532 0.465939 H\n0.174425 0.562468 0.965939 H\n0.348223 0.319107 0.701232 Se\n0.651777 0.319107 0.798768 Se\n0.848223 0.180893 0.298768 Se\n0.151777 0.180893 0.201232 Se\n0.651777 0.680893 0.298768 Se\n0.348223 0.680893 0.201232 Se\n0.151777 0.819107 0.701232 Se\n0.848223 0.819107 0.798768 Se\n0.710759 0.184862 0.596104 O\n0.789241 0.315138 0.096104 O\n0.789241 0.684862 0.596104 O\n0.710759 0.815138 0.096104 O\n0.289241 0.815138 0.403896 O\n0.210759 0.684862 0.903896 O\n0.064554 0.107251 0.353665 O\n0.435446 0.392749 0.853665 O\n0.564554 0.392749 0.646335 O\n0.935446 0.107251 0.146335 O\n0.935446 0.892749 0.646335 O\n0.435446 0.607250 0.353665 O\n0.064554 0.892749 0.853665 O\n0.111928 0.392115 0.064104 O\n0.388072 0.107885 0.564104 O\n0.611928 0.107885 0.935896 O\n0.888072 0.392115 0.435896 O\n0.888072 0.607885 0.935896 O\n0.611928 0.892115 0.435896 O\n0.388072 0.892115 0.064104 O\n0.111928 0.607885 0.564104 O\n0.289241 0.184862 0.903896 O\n0.564554 0.607250 0.146335 O\n0.210759 0.315138 0.403896 O\n",
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}