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{
"id": "jvasp-44438",
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"structure_string": "Li4 Co6 Sn2 O16\n1.0\n5.748433 0.000027 -0.000005\n-2.874193 4.978248 0.000010\n0.000009 -0.000015 9.459427\nLi Co Sn O\n4 6 2 16\ndirect\n0.333331 0.666679 0.893424 Li\n-0.000052 -0.000011 0.996026 Li\n0.000053 0.000042 0.496026 Li\n0.666670 0.333349 0.393424 Li\n0.830718 0.661416 0.715054 Co\n0.338616 0.169317 0.715054 Co\n0.830715 0.169323 0.715056 Co\n0.169286 0.338608 0.215055 Co\n0.169283 0.830698 0.215054 Co\n0.661385 0.830702 0.215054 Co\n0.333367 0.666688 0.493520 Sn\n0.666635 0.333323 0.993520 Sn\n0.311704 0.155864 0.104491 O\n0.844103 0.688246 0.104507 O\n0.666680 0.333354 0.612026 O\n0.515328 0.030653 0.830817 O\n0.515328 0.484705 0.830818 O\n0.688297 0.844160 0.604492 O\n0.484673 0.515325 0.330816 O\n0.030651 0.515341 0.330834 O\n0.155893 0.311772 0.604505 O\n0.000012 0.000010 0.807794 O\n-0.000012 -0.000003 0.307794 O\n0.333321 0.666673 0.112026 O\n0.969350 0.484691 0.830834 O\n0.155899 0.844142 0.604507 O\n0.484673 0.969377 0.330817 O\n0.844107 0.155878 0.104506 O\n",
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{
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"structure_string": "Rb2 Tl1 Hg1 Br6\n1.0\n6.933829 0.000000 4.003248\n2.311276 6.537277 4.003248\n0.000000 0.000000 8.006497\nRb Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746004 0.253997 0.253997 Br\n0.253997 0.253997 0.746004 Br\n0.253997 0.746004 0.746004 Br\n0.253997 0.746004 0.253997 Br\n0.746004 0.253997 0.746004 Br\n0.746004 0.746004 0.253997 Br\n",
"nsites": 10,
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"formula_full": "Rb2 Tl1 Hg1 Br6",
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{
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"updated_at": "2022-09-04T14:36:44.535118Z",
"structure_string": "Li3 Fe2 C4 O12\n1.0\n5.371671 -0.120639 -0.131608\n-2.547158 -5.446504 0.127012\n-2.221506 0.514100 -7.983189\nLi Fe C O\n3 2 4 12\ndirect\n0.445081 0.893298 0.342290 Li\n0.171499 -0.036709 0.677010 Li\n0.250567 0.488941 0.844215 Li\n0.672530 0.487568 0.486417 Fe\n0.881722 0.037226 0.011279 Fe\n0.356500 0.429964 0.208049 C\n0.930487 0.903601 0.302159 C\n0.721286 0.109291 0.699260 C\n0.735513 0.611547 0.790599 C\n0.973978 0.122371 0.757356 O\n0.564571 0.064172 0.802890 O\n0.955919 0.617092 0.747585 O\n0.627414 0.141944 0.544470 O\n0.313428 0.518917 0.334648 O\n0.581545 0.392412 0.235986 O\n0.716707 0.943979 0.218994 O\n0.130204 0.946235 0.232052 O\n0.499381 0.530138 0.676170 O\n0.175981 0.377727 0.063344 O\n0.941784 0.824985 0.451504 O\n0.739612 0.684984 0.933981 O\n",
"nsites": 21,
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{
"id": "jvasp-100086",
"created_at": "2022-09-04T14:36:37.963006Z",
"updated_at": "2022-09-04T14:36:37.963022Z",
"structure_string": "K2 Li1 Ru1 F6\n1.0\n4.945105 -0.000000 2.855057\n1.648369 4.662289 2.855057\n0.000000 0.000000 5.710116\nK Li Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ru\n0.750634 0.249367 0.249367 F\n0.249368 0.249367 0.750633 F\n0.249368 0.750633 0.750634 F\n0.249368 0.750633 0.249368 F\n0.750634 0.249367 0.750633 F\n0.750634 0.750633 0.249368 F\n",
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{
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"created_at": "2022-09-04T14:36:31.828590Z",
"updated_at": "2022-09-04T14:36:31.828622Z",
"structure_string": "Ba1 Tb2 Ni1 O5\n1.0\n3.568672 0.000000 -1.054968\n-0.746499 5.178840 -2.525203\n0.050119 0.031343 6.732946\nTb Ba Ni O\n2 1 1 5\ndirect\n0.201629 0.701629 0.403258 Tb\n0.798370 0.298371 0.596742 Tb\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.000001 Ni\n-0.000000 0.500001 0.000000 O\n0.350431 0.591889 0.700864 O\n0.649567 0.408111 0.299137 O\n0.649569 0.891026 0.299137 O\n0.350432 0.108974 0.700864 O\n",
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{
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"created_at": "2022-09-04T14:36:32.887542Z",
"updated_at": "2022-09-04T14:36:32.887564Z",
"structure_string": "Li2 Ti1 Te3 O12\n1.0\n0.000000 4.923848 0.027310\n8.466203 0.000000 0.000000\n0.000000 -0.096804 -5.180749\nLi Ti Te O\n2 1 3 12\ndirect\n0.000000 0.695738 0.500000 Li\n0.500001 0.823293 0.500000 Li\n0.000000 0.906490 0.000000 Ti\n0.500000 0.589217 -0.000000 Te\n0.000000 0.080332 0.500000 Te\n0.500001 0.388725 0.500000 Te\n0.797631 0.065954 0.806561 O\n0.287386 0.567476 0.670190 O\n0.205547 0.908958 0.675494 O\n0.248940 0.242631 0.647735 O\n0.751061 0.242631 0.352265 O\n0.202370 0.065954 0.193439 O\n0.712615 0.567476 0.329810 O\n0.709015 0.418655 0.820783 O\n0.290987 0.418655 0.179217 O\n0.259815 0.741037 0.143868 O\n0.794455 0.908958 0.324506 O\n0.740187 0.741037 0.856132 O\n",
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{
"id": "jvasp-95620",
"created_at": "2022-09-04T14:36:32.920553Z",
"updated_at": "2022-09-04T14:36:32.920570Z",
"structure_string": "Ca4 B12 H12 O28\n1.0\n8.199771 0.000000 -1.236772\n0.000000 8.177493 0.000000\n-0.017415 0.000000 7.260386\nCa B H O\n4 12 12 28\ndirect\n0.388577 0.293375 0.076107 Ca\n0.111423 0.793375 0.923894 Ca\n0.611423 0.706625 0.923894 Ca\n0.888577 0.206625 0.076107 Ca\n0.213377 0.190594 0.482769 B\n0.286623 0.690594 0.517231 B\n0.786623 0.809405 0.517232 B\n0.713377 0.309405 0.482769 B\n0.109702 0.148088 0.778793 B\n0.390298 0.648088 0.221208 B\n0.609702 0.351911 0.778793 B\n0.667152 0.038953 0.310458 B\n0.832847 0.538953 0.689543 B\n0.332847 0.961047 0.689543 B\n0.167152 0.461047 0.310458 B\n0.890298 0.851911 0.221208 B\n0.875018 0.048302 0.686078 H\n0.922152 0.612847 0.135521 H\n0.422152 0.887153 0.135521 H\n0.077848 0.387153 0.864480 H\n0.624981 0.548302 0.313923 H\n0.577847 0.112847 0.864480 H\n0.375018 0.451698 0.686078 H\n0.427797 0.045124 0.353359 H\n0.072202 0.545124 0.646642 H\n0.572202 0.954875 0.646642 H\n0.927797 0.454876 0.353359 H\n0.124981 0.951697 0.313923 H\n0.490089 0.052485 0.244669 O\n0.459096 0.454255 0.797037 O\n0.040904 0.954255 0.202964 O\n0.540904 0.545745 0.202964 O\n0.959096 0.045745 0.797037 O\n0.899624 0.777100 0.404051 O\n0.009910 0.552485 0.755331 O\n0.399624 0.722899 0.404051 O\n0.100375 0.222899 0.595949 O\n0.804350 0.451675 0.507557 O\n0.695649 0.951675 0.492444 O\n0.600375 0.277101 0.595950 O\n0.509910 0.947515 0.755331 O\n0.762239 0.708237 0.662311 O\n0.737760 0.208237 0.337690 O\n0.262239 0.791762 0.662311 O\n0.237760 0.291763 0.337689 O\n0.254155 0.044840 0.830481 O\n0.245844 0.544840 0.169520 O\n0.745844 0.955159 0.169520 O\n0.754155 0.455159 0.830481 O\n0.616199 0.221664 0.922517 O\n0.883800 0.721663 0.077484 O\n0.383800 0.778336 0.077483 O\n0.116199 0.278336 0.922517 O\n0.195649 0.548324 0.492444 O\n0.990089 0.447515 0.244669 O\n0.304350 0.048324 0.507557 O\n",
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"formula_full": "Ca4 B12 H12 O28",
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},
{
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"created_at": "2022-09-04T14:36:12.784293Z",
"updated_at": "2022-09-04T14:36:12.784319Z",
"structure_string": "Li2 Cu2 Sb2 O8\n1.0\n6.104366 -0.000000 -0.000000\n3.052182 5.465155 0.327464\n3.052182 2.130454 5.043442\nLi Cu Sb O\n2 2 2 8\ndirect\n0.094680 0.155321 0.155321 Li\n0.905322 0.844678 0.844678 Li\n0.500000 -0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.499999 0.499999 Sb\n0.500001 0.499999 0.499999 Sb\n0.244275 0.284344 0.284344 O\n0.235414 0.280946 0.748226 O\n0.235414 0.748226 0.280947 O\n0.687038 0.284344 0.284344 O\n0.312963 0.715655 0.715655 O\n0.764587 0.719052 0.251773 O\n0.764587 0.251773 0.719052 O\n0.755726 0.715655 0.715655 O\n",
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{
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"created_at": "2022-09-04T14:36:32.780612Z",
"updated_at": "2022-09-04T14:36:32.780626Z",
"structure_string": "Rb2 In1 As1 F6\n1.0\n5.662213 -0.000000 3.269079\n1.887405 5.338386 3.269079\n0.000000 0.000000 6.538160\nRb In As F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.775729 0.224270 0.224270 F\n0.224270 0.224270 0.775730 F\n0.224269 0.775731 0.775730 F\n0.224269 0.775731 0.224270 F\n0.775729 0.224270 0.775730 F\n0.775729 0.775731 0.224271 F\n",
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{
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"created_at": "2022-09-04T14:36:33.073644Z",
"updated_at": "2022-09-04T14:36:33.073665Z",
"structure_string": "Li2 Ni1 Sn1 O4\n1.0\n0.000000 5.169960 -0.003298\n3.097838 0.000000 0.000000\n0.000000 -1.690465 -4.958112\nLi Ni Sn O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Sn\n0.730833 0.000000 0.245311 O\n0.740709 0.500000 0.739714 O\n0.269166 0.000000 0.754689 O\n0.259290 0.500000 0.260286 O\n",
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},
{
"id": "jvasp-103197",
"created_at": "2022-09-04T14:36:32.779871Z",
"updated_at": "2022-09-04T14:36:32.779898Z",
"structure_string": "Rb2 Hg1 Ru1 F6\n1.0\n5.800848 -0.000000 3.349121\n1.933616 5.469092 3.349121\n0.000000 0.000000 6.698243\nRb Hg Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Ru\n0.794577 0.205423 0.205423 F\n0.205424 0.205423 0.794576 F\n0.205424 0.794576 0.794576 F\n0.205424 0.794576 0.205423 F\n0.794577 0.205423 0.794576 F\n0.794578 0.794576 0.205423 F\n",
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{
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"created_at": "2022-09-04T14:36:31.645453Z",
"updated_at": "2022-09-04T14:36:31.645473Z",
"structure_string": "Ta2 P8 S12 Cl10\n1.0\n6.737700 -0.005476 -0.673386\n-2.769641 10.441271 -2.135082\n0.015172 0.036961 11.287070\nTa P S Cl\n2 8 12 10\ndirect\n0.481525 0.736016 0.857718 Ta\n0.518475 0.263983 0.142282 Ta\n0.968481 0.574854 0.283793 P\n0.277020 0.834631 0.456475 P\n0.946706 0.803491 0.511899 P\n0.031519 0.425145 0.716207 P\n0.053293 0.196508 0.488100 P\n0.722979 0.165368 0.543525 P\n0.054296 0.125154 0.773100 P\n0.945703 0.874845 0.226900 P\n0.893169 0.669906 0.149018 S\n0.793414 0.886567 0.383853 S\n0.206586 0.113433 0.616147 S\n0.078949 0.611315 0.791687 S\n0.816024 0.602661 0.436648 S\n0.921051 0.388685 0.208313 S\n0.746207 0.060657 0.682629 S\n0.278517 0.645973 0.359232 S\n0.721483 0.354026 0.640767 S\n0.183975 0.397338 0.563352 S\n0.253792 0.939343 0.317371 S\n0.106831 0.330093 0.850982 S\n0.441278 0.457266 0.134080 Cl\n0.187248 0.136859 0.089525 Cl\n0.558721 0.542733 0.865920 Cl\n0.672738 0.099343 0.171532 Cl\n0.515035 0.693702 0.647776 Cl\n0.414705 0.760375 0.058845 Cl\n0.484964 0.306298 0.352223 Cl\n0.585294 0.239625 0.941155 Cl\n0.327261 0.900656 0.828468 Cl\n0.812751 0.863140 0.910475 Cl\n",
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],
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}
]
}