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{
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{
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"structure_string": "Na8 Ga6 Si6 Cl2 O24\n1.0\n9.002544 0.000000 0.000000\n-0.000000 9.002544 -0.000000\n-0.000000 0.000000 9.002544\nNa Ga Si Cl O\n8 6 6 2 24\ndirect\n0.671511 0.328489 0.328489 Na\n0.328489 0.328489 0.671511 Na\n0.328489 0.671511 0.328489 Na\n0.171511 0.171511 0.171511 Na\n0.671511 0.671511 0.671511 Na\n0.828489 0.171511 0.828489 Na\n0.828489 0.828489 0.171511 Na\n0.171511 0.828489 0.828489 Na\n0.250000 0.000000 0.500000 Ga\n0.000000 0.500000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.500000 0.250000 0.000000 Ga\n0.500000 0.750000 0.000000 Ga\n0.750000 0.000000 0.500000 Ga\n0.000000 0.250000 0.500000 Si\n0.000000 0.750000 0.500000 Si\n0.750000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.849543 0.576259 0.133021 O\n0.150456 0.423740 0.133021 O\n0.576259 0.866979 0.150456 O\n0.349543 0.633021 0.076259 O\n0.650456 0.366979 0.076259 O\n0.923740 0.349543 0.366979 O\n0.076259 0.349543 0.633021 O\n0.366979 0.076259 0.650456 O\n0.366979 0.923740 0.349543 O\n0.133021 0.150456 0.423740 O\n0.576259 0.133021 0.849543 O\n0.849543 0.423740 0.866979 O\n0.133021 0.849543 0.576259 O\n0.866979 0.150456 0.576259 O\n0.866979 0.849543 0.423740 O\n0.349543 0.366979 0.923740 O\n0.650456 0.633021 0.923740 O\n0.076259 0.650456 0.366979 O\n0.923740 0.650456 0.633021 O\n0.633021 0.076259 0.349543 O\n0.633021 0.923740 0.650456 O\n0.423740 0.866979 0.849543 O\n0.150456 0.576259 0.866979 O\n0.423740 0.133021 0.150456 O\n",
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{
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"structure_string": "Zn2 Bi12 P4 O28 F4\n1.0\n5.484948 -0.000020 0.974860\n2.476350 8.241645 1.984086\n-0.032781 0.020481 16.098799\nZn Bi P O F\n2 12 4 28 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.239253 0.761568 0.831013 Bi\n0.831800 0.738435 0.668976 Bi\n0.495569 0.542237 0.329100 Bi\n0.760747 0.238433 0.168987 Bi\n0.168200 0.261566 0.331024 Bi\n0.947612 0.376694 0.830894 Bi\n0.633137 0.042244 0.829096 Bi\n0.366863 0.957756 0.170904 Bi\n0.504432 0.457764 0.670900 Bi\n0.155201 0.123311 0.669097 Bi\n0.052389 0.623307 0.169106 Bi\n0.844800 0.876690 0.330903 Bi\n0.340269 0.779994 0.498155 P\n0.659731 0.220006 0.501845 P\n0.618413 0.720010 0.001859 P\n0.381588 0.279990 0.998141 P\n0.712841 0.749999 0.250001 O\n0.328782 0.759950 0.595770 O\n0.287159 0.250002 0.749999 O\n0.212523 0.750000 0.250009 O\n0.385485 0.423213 0.237689 O\n0.101205 0.494921 0.383968 O\n0.046387 0.076771 0.262321 O\n0.664028 0.250312 0.968645 O\n0.883127 0.249644 0.531286 O\n0.898796 0.505079 0.616032 O\n0.749113 0.802432 0.046498 O\n0.953613 0.923229 0.737679 O\n0.116873 0.750357 0.468715 O\n0.543711 0.083655 0.258568 O\n0.787477 0.250000 0.749991 O\n0.456289 0.916345 0.741432 O\n0.335972 0.749689 0.031355 O\n0.885947 0.416339 0.241440 O\n0.597941 0.697517 0.453489 O\n0.684319 0.740084 0.904237 O\n0.671218 0.240050 0.404231 O\n0.114053 0.583661 0.758560 O\n0.980054 0.005103 0.116033 O\n0.250888 0.197568 0.953502 O\n0.315681 0.259917 0.095763 O\n0.614516 0.576788 0.762311 O\n0.019946 0.994897 0.883967 O\n0.402059 0.302483 0.546512 O\n0.692526 0.027377 0.535994 F\n0.744050 0.527361 0.035977 F\n0.255950 0.472639 0.964024 F\n0.307474 0.972624 0.464006 F\n",
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{
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"structure_string": "Sc1 Zn2 Cu1\n1.0\n-9.117775 -0.000000 -5.264150\n-8.833780 -0.036297 4.772255\n-5.966741 8.072912 -0.193601\nSc Zn Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.729037 0.000000 0.000000 Zn\n0.270964 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Cu\n",
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{
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"structure_string": "K6 C60\n1.0\n9.253157 -0.000000 -3.271485\n-4.626578 8.013470 -3.271485\n-0.000000 -0.000000 9.814455\nK C\n6 60\ndirect\n0.219146 0.719146 0.500001 K\n0.780854 0.280854 0.500001 K\n0.280854 0.500000 0.780855 K\n0.500000 0.780854 0.280855 K\n0.719146 0.500000 0.219146 K\n0.500000 0.219146 0.719146 K\n0.165498 0.395462 0.023352 C\n0.372111 0.142146 0.976649 C\n0.433783 0.292939 0.268206 C\n0.165579 0.731795 0.024735 C\n0.140845 0.975265 0.707062 C\n0.834421 0.859155 0.566218 C\n0.731795 0.024735 0.165580 C\n0.707062 0.140845 0.975266 C\n0.859155 0.566217 0.834422 C\n0.268205 0.433783 0.292939 C\n0.292939 0.268205 0.433784 C\n0.024735 0.165579 0.731795 C\n0.975266 0.707061 0.140846 C\n0.834503 0.857854 0.229965 C\n0.834421 0.268205 0.975267 C\n0.859156 0.024735 0.292939 C\n0.165579 0.140845 0.433784 C\n0.268205 0.975265 0.834422 C\n0.292939 0.859155 0.024735 C\n0.140845 0.433783 0.165580 C\n0.731795 0.566217 0.707062 C\n0.707061 0.731795 0.566218 C\n0.975266 0.834421 0.268206 C\n0.024734 0.292939 0.859156 C\n0.433783 0.165579 0.140845 C\n0.566217 0.834421 0.859156 C\n0.566217 0.707061 0.731796 C\n0.309031 0.372119 0.063089 C\n0.976649 0.372111 0.142147 C\n0.245942 0.936912 0.309031 C\n0.936912 0.690969 0.627882 C\n0.754058 0.063088 0.690970 C\n0.936912 0.309031 0.245943 C\n0.627881 0.936912 0.690970 C\n0.063088 0.690969 0.754058 C\n0.063088 0.309031 0.372119 C\n0.372119 0.063088 0.309031 C\n0.309031 0.245942 0.936912 C\n0.690969 0.627881 0.936913 C\n0.690969 0.754058 0.063089 C\n0.372111 0.395462 0.229965 C\n0.142146 0.770036 0.165498 C\n0.976649 0.834502 0.604539 C\n0.857854 0.023351 0.627890 C\n0.770036 0.165498 0.142147 C\n0.604538 0.976649 0.834504 C\n0.023351 0.627889 0.857854 C\n0.229964 0.372111 0.395462 C\n0.395462 0.229964 0.372111 C\n0.165498 0.142146 0.770036 C\n0.834503 0.604538 0.976650 C\n0.627889 0.857854 0.023352 C\n0.627890 0.604538 0.770037 C\n0.857854 0.229964 0.834503 C\n0.023351 0.165498 0.395462 C\n0.142146 0.976649 0.372111 C\n0.229964 0.834502 0.857855 C\n0.395462 0.023351 0.165498 C\n0.770036 0.627889 0.604539 C\n0.604538 0.770036 0.627890 C\n",
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"structure_string": "K4 P4 Pb4 S16\n1.0\n6.613306 0.000000 0.000000\n0.000000 6.643420 0.000000\n0.000000 0.000000 16.562063\nK P Pb S\n4 4 4 16\ndirect\n0.976434 0.250000 0.788767 K\n0.523567 0.250000 0.288767 K\n0.023567 0.750000 0.211233 K\n0.476434 0.750000 0.711232 K\n0.721967 0.750000 0.402617 P\n0.778034 0.750000 0.902617 P\n0.221967 0.250000 0.097383 P\n0.278033 0.250000 0.597383 P\n0.718410 0.250000 0.023527 Pb\n0.281591 0.750000 0.976473 Pb\n0.781591 0.250000 0.523527 Pb\n0.218410 0.750000 0.476473 Pb\n0.398798 0.002528 0.121800 S\n0.527660 0.250000 0.670697 S\n0.972341 0.250000 0.170697 S\n0.852145 0.750000 0.024336 S\n0.601203 0.502528 0.878200 S\n0.647856 0.750000 0.524336 S\n0.898798 0.502528 0.378200 S\n0.472340 0.750000 0.329303 S\n0.601203 0.997472 0.878200 S\n0.398798 0.497472 0.121800 S\n0.101202 0.497472 0.621800 S\n0.352145 0.250000 0.475664 S\n0.898798 0.997472 0.378200 S\n0.147855 0.250000 0.975664 S\n0.101202 0.002528 0.621800 S\n0.027660 0.750000 0.829302 S\n",
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{
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"structure_string": "Na4 Ca6 Si12 O32\n1.0\n6.842979 -0.042123 -2.451401\n-2.023460 9.969665 -1.092427\n-0.047264 0.015185 10.690653\nNa Ca Si O\n4 6 12 32\ndirect\n0.648122 0.418454 0.818163 Na\n0.603097 0.865104 0.520213 Na\n0.396903 0.134896 0.479786 Na\n0.351878 0.581545 0.181837 Na\n0.034634 0.878097 0.878220 Ca\n0.537309 0.867301 0.887247 Ca\n0.965366 0.121903 0.121780 Ca\n0.097416 0.849656 0.516991 Ca\n0.902585 0.150343 0.483009 Ca\n0.462691 0.132698 0.112752 Ca\n0.847251 0.683432 0.070727 Si\n0.751305 0.134715 0.769273 Si\n0.681165 0.870093 0.230419 Si\n0.248695 0.865285 0.230726 Si\n0.207276 0.586919 0.855268 Si\n0.612055 0.399693 0.358156 Si\n0.152750 0.316567 0.929272 Si\n0.318836 0.129907 0.769580 Si\n0.792725 0.413080 0.144731 Si\n0.183569 0.399972 0.373141 Si\n0.387945 0.600307 0.641843 Si\n0.816431 0.600027 0.626859 Si\n0.267509 0.741973 0.922021 O\n0.674228 0.975796 0.125539 O\n0.601617 0.559280 0.648790 O\n0.220726 0.482801 0.964968 O\n0.459644 0.815608 0.238793 O\n0.206397 0.250656 0.063456 O\n0.793603 0.749343 0.936544 O\n0.830415 0.930895 0.383475 O\n0.974551 0.542481 0.747840 O\n0.025450 0.457519 0.252159 O\n0.911820 0.281114 0.838267 O\n0.169586 0.069105 0.616524 O\n0.616283 0.242390 0.359056 O\n0.732491 0.258026 0.077979 O\n0.729176 0.087554 0.615511 O\n0.383717 0.757609 0.640943 O\n0.362459 0.552726 0.779203 O\n0.779274 0.517199 0.035032 O\n0.194781 0.974435 0.129203 O\n0.637541 0.447273 0.220797 O\n0.112126 0.241159 0.366935 O\n0.540357 0.184391 0.761206 O\n0.731590 0.729473 0.171256 O\n0.270825 0.912446 0.384488 O\n0.787814 0.504470 0.485033 O\n0.398383 0.440719 0.351210 O\n0.805219 0.025564 0.870797 O\n0.887875 0.758840 0.633064 O\n0.268410 0.270527 0.828744 O\n0.212187 0.495529 0.514966 O\n0.088180 0.718885 0.161732 O\n0.325772 0.024204 0.874460 O\n",
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"structure_string": "Y7 Fe1 I12\n1.0\n9.140714 -0.007933 -2.798643\n-3.781633 8.321776 -2.798644\n-0.005114 -0.007933 9.559552\nY Fe I\n7 1 12\ndirect\n0.025894 0.095377 0.295828 Y\n0.095377 0.295828 0.025894 Y\n0.500000 0.500001 0.500001 Y\n0.704173 0.974107 0.904624 Y\n0.974107 0.904625 0.704173 Y\n0.295828 0.025894 0.095377 Y\n0.904624 0.704173 0.974107 Y\n0.000000 0.000000 0.000000 Fe\n0.074403 0.231627 0.679144 I\n0.231627 0.679144 0.074403 I\n0.470322 0.390198 0.155877 I\n0.390198 0.155877 0.470322 I\n0.925598 0.768374 0.320857 I\n0.844124 0.529679 0.609803 I\n0.320857 0.925598 0.768374 I\n0.155877 0.470322 0.390198 I\n0.609803 0.844125 0.529679 I\n0.768374 0.320857 0.925598 I\n0.679144 0.074403 0.231627 I\n0.529679 0.609803 0.844124 I\n",
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{
"id": "jvasp-32309",
"created_at": "2022-09-04T14:36:11.335600Z",
"updated_at": "2022-09-04T14:36:11.335617Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n6.599774 -0.034666 0.000000\n-2.238506 9.673726 0.000000\n0.000000 0.000000 11.386106\nTa Te Br\n2 2 18\ndirect\n0.636832 0.136265 0.750000 Ta\n0.363166 0.863735 0.250000 Ta\n0.758792 0.540005 0.750000 Te\n0.241207 0.459995 0.250000 Te\n0.965503 0.676600 0.581239 Br\n0.034496 0.323400 0.081239 Br\n0.034496 0.323400 0.418761 Br\n0.965503 0.676600 0.918761 Br\n0.756858 0.009367 0.590106 Br\n0.243141 0.990633 0.090106 Br\n0.243141 0.990633 0.409894 Br\n0.533548 0.306411 0.594335 Br\n0.001924 0.314402 0.750000 Br\n0.543501 0.339269 0.250000 Br\n0.456497 0.660731 0.750000 Br\n0.722922 0.000114 0.250000 Br\n0.277077 -0.000115 0.750000 Br\n0.533548 0.306411 0.905666 Br\n0.466451 0.693589 0.405665 Br\n0.466451 0.693589 0.094335 Br\n-0.001924 0.685599 0.250000 Br\n0.756858 0.009367 0.909895 Br\n",
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"elements": [
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"chemical_system": "Br-Ta-Te",
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{
"id": "jvasp-59039",
"created_at": "2022-09-04T14:38:31.785185Z",
"updated_at": "2022-09-04T14:38:31.785201Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n0.000000 6.599807 0.018754\n11.386083 0.000000 0.000000\n0.000000 -2.261818 -9.668311\nTa Te Br\n2 2 18\ndirect\n0.636830 0.250000 0.136263 Ta\n0.363170 0.750000 0.863737 Ta\n0.758791 0.250000 0.540005 Te\n0.241209 0.750000 0.459996 Te\n0.965504 0.418761 0.676599 Br\n0.034496 0.918760 0.323401 Br\n0.243143 0.590105 0.990634 Br\n0.756857 0.090105 0.009367 Br\n0.756857 0.409895 0.009367 Br\n0.243143 0.909895 0.990634 Br\n0.001922 0.250000 0.314399 Br\n-0.001922 0.750000 0.685601 Br\n0.543507 0.750000 0.339272 Br\n0.965504 0.081239 0.676599 Br\n0.277071 0.250000 -0.000115 Br\n0.722929 0.750000 0.000115 Br\n0.466454 0.905666 0.693591 Br\n0.533546 0.405666 0.306410 Br\n0.533546 0.094334 0.306410 Br\n0.466454 0.594334 0.693591 Br\n0.456494 0.250000 0.660728 Br\n0.034496 0.581239 0.323401 Br\n",
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{
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"created_at": "2022-09-04T14:38:17.839324Z",
"updated_at": "2022-09-04T14:38:17.839348Z",
"structure_string": "Pb12 Br8 O8\n1.0\n5.943695 -0.000000 0.000000\n-0.000000 9.911420 0.000000\n0.000000 0.000000 12.317916\nPb Br O\n12 8 8\ndirect\n0.250000 0.077421 0.079299 Pb\n0.749999 0.922579 0.920702 Pb\n0.749999 0.577421 0.420701 Pb\n0.250000 0.422579 0.579299 Pb\n0.250000 0.366103 0.287357 Pb\n0.749999 0.633897 0.712643 Pb\n0.749999 0.866103 0.212643 Pb\n0.250000 0.133897 0.787357 Pb\n0.250000 0.790468 0.556369 Pb\n0.749999 0.209532 0.443631 Pb\n0.749999 0.290468 0.943631 Pb\n0.250000 0.709531 0.056369 Pb\n0.250000 0.693629 0.309971 Br\n0.749999 0.306371 0.690029 Br\n0.749999 0.193629 0.190029 Br\n0.250000 0.806371 0.809972 Br\n0.749999 0.927276 0.629386 Br\n0.749999 0.572724 0.129385 Br\n0.250000 0.072724 0.370615 Br\n0.250000 0.427276 0.870615 Br\n0.996457 0.112330 0.922692 O\n0.996457 0.387670 0.422692 O\n0.496457 0.612330 0.577309 O\n0.003542 0.887670 0.077308 O\n0.503542 0.112330 0.922692 O\n0.003542 0.612330 0.577309 O\n0.503542 0.387670 0.422692 O\n0.496457 0.887670 0.077308 O\n",
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}