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{
"id": "jvasp-98767",
"created_at": "2022-09-04T14:36:18.868854Z",
"updated_at": "2022-09-04T14:36:18.868870Z",
"structure_string": "Ca12 Si6 H4 O26\n1.0\n6.780864 -0.004918 -0.899958\n-1.015486 6.862227 -0.100765\n-0.001768 -0.034938 12.905118\nCa Si H O\n12 6 4 26\ndirect\n0.684833 0.811687 0.125261 Ca\n0.809163 0.796964 0.513137 Ca\n0.434222 0.965121 0.676932 Ca\n0.108996 0.526492 0.709273 Ca\n0.921500 0.803754 0.898667 Ca\n0.078498 0.196246 0.101332 Ca\n0.190835 0.203036 0.486862 Ca\n0.891002 0.473508 0.290727 Ca\n0.404096 0.521862 0.295811 Ca\n0.565777 0.034879 0.323067 Ca\n0.595902 0.478138 0.704188 Ca\n0.315165 0.188313 0.874739 Ca\n0.715425 0.301097 0.509186 Si\n0.810839 0.283165 0.884205 Si\n0.189160 0.716835 0.115795 Si\n0.612352 0.288939 0.097913 Si\n0.387646 0.711061 0.902086 Si\n0.284574 0.698903 0.490814 Si\n0.199838 0.026311 0.271058 H\n0.061275 0.110621 0.675991 H\n0.800161 0.973689 0.728941 H\n0.938724 0.889379 0.324008 H\n0.846381 0.128680 0.486002 O\n0.235055 0.160425 0.299497 O\n0.255251 0.845535 0.822337 O\n0.185467 0.202329 0.684541 O\n0.521444 0.217111 0.566802 O\n0.013185 0.853011 0.089955 O\n0.478555 0.782889 0.433197 O\n0.986813 0.146989 0.910045 O\n0.112708 0.511391 0.169494 O\n0.748769 0.337681 0.000499 O\n0.611041 0.811872 0.948011 O\n0.163870 0.512320 0.417057 O\n0.836128 0.487680 0.582942 O\n0.386018 0.508875 0.834908 O\n0.383454 0.818176 0.196106 O\n0.251230 0.662319 0.999500 O\n0.613981 0.491125 0.165092 O\n0.640294 0.371793 0.390876 O\n0.764943 0.839575 0.700503 O\n0.616545 0.181824 0.803894 O\n0.359705 0.628207 0.609123 O\n0.887290 0.488609 0.830506 O\n0.153617 0.871320 0.513998 O\n0.744747 0.154465 0.177663 O\n0.814531 0.797671 0.315459 O\n0.388958 0.188128 0.051989 O\n",
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"formula_full": "Ca12 Si6 H4 O26",
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{
"id": "jvasp-101947",
"created_at": "2022-09-04T14:36:44.689260Z",
"updated_at": "2022-09-04T14:36:44.689279Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.473569 0.021861 0.823857\n1.527602 4.764562 1.136806\n0.071083 -0.114394 7.167955\nCd H C O\n1 4 4 4\ndirect\n0.666403 0.239554 0.728428 Cd\n0.133436 0.976990 0.250497 H\n0.604315 0.027150 0.170926 H\n0.415354 0.488125 0.205474 H\n0.851351 0.454251 0.286783 H\n0.497199 0.880897 0.469929 C\n0.452357 0.879723 0.264649 C\n0.639198 0.595189 0.192481 C\n0.886264 0.599011 0.987773 C\n0.335032 0.124274 0.532176 O\n0.705093 0.668224 0.564289 O\n-0.029147 0.814126 0.896627 O\n0.031395 0.357284 0.923313 O\n",
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{
"id": "jvasp-9513",
"created_at": "2022-09-04T14:36:43.632109Z",
"updated_at": "2022-09-04T14:36:43.632118Z",
"structure_string": "V2 Zn2 Si2 O10\n1.0\n5.190193 0.016341 -0.115733\n-1.135383 5.347220 0.005815\n-1.923446 -2.439134 6.413692\nV Zn Si O\n2 2 2 10\ndirect\n0.500132 0.998408 0.500839 V\n0.500129 -0.001591 0.000839 V\n0.218947 0.328990 0.723798 Zn\n0.781325 0.667844 0.277933 Zn\n0.815413 0.648500 0.761268 Si\n0.184849 0.348313 0.240422 Si\n0.573896 0.648278 0.870467 O\n0.744305 0.775315 0.575965 O\n0.426355 0.348564 0.131205 O\n0.255952 0.221487 0.425720 O\n0.166539 0.655764 0.335969 O\n0.868322 0.186631 0.060541 O\n0.833724 0.341048 0.665744 O\n0.131935 0.810197 0.941150 O\n0.604560 0.958384 0.269036 O\n0.395684 0.038455 0.732656 O\n",
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{
"id": "jvasp-104106",
"created_at": "2022-09-04T14:36:44.695048Z",
"updated_at": "2022-09-04T14:36:44.695078Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625778 0.041647 0.032401\n0.259193 5.425963 0.022036\n-0.020198 -0.005143 11.653192\nH C N O\n6 14 2 2\ndirect\n0.441697 0.384571 0.764101 H\n0.366337 0.477875 0.977367 H\n0.809244 0.183997 0.900983 H\n0.660697 0.356437 0.477485 H\n0.586104 0.449896 0.264246 H\n0.218079 0.650381 0.400965 H\n0.083951 0.822682 0.371407 C\n0.045486 0.877111 0.255300 C\n0.867512 0.101502 0.221090 C\n0.046624 0.881400 0.071686 C\n0.723278 0.280072 0.296145 C\n0.764922 0.225730 0.412475 C\n0.942355 0.000422 0.449813 C\n0.980916 0.953028 0.571715 C\n0.982166 0.957349 0.755309 C\n0.943423 0.011699 0.871405 C\n0.084936 0.833935 0.949769 C\n0.262365 0.608628 0.912382 C\n0.304366 0.554374 0.796043 C\n0.160187 0.732977 0.721044 C\n0.870585 0.091513 0.658149 N\n0.157113 0.742955 0.158077 N\n0.161880 0.728025 0.603004 O\n0.865767 0.106446 0.103042 O\n",
"nsites": 24,
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],
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{
"id": "jvasp-102422",
"created_at": "2022-09-04T14:36:43.165960Z",
"updated_at": "2022-09-04T14:36:43.165992Z",
"structure_string": "Rb2 Tl1 Hg1 I6\n1.0\n7.445249 -0.000000 4.298516\n2.481750 7.019448 4.298516\n-0.000000 -0.000000 8.597033\nRb Tl Hg I\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\n0.745930 0.254070 0.254071 I\n0.254070 0.254070 0.745930 I\n0.254070 0.745930 0.745930 I\n0.254070 0.745930 0.254071 I\n0.745930 0.254070 0.745930 I\n0.745930 0.745930 0.254071 I\n",
"nsites": 10,
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{
"id": "jvasp-100781",
"created_at": "2022-09-04T14:36:34.872224Z",
"updated_at": "2022-09-04T14:36:34.872242Z",
"structure_string": "Zr1 Mn1 Cu2 Se4\n1.0\n6.103653 -0.201583 2.733085\n4.262977 4.372899 2.733085\n0.158330 0.063709 6.170647\nZr Mn Cu Se\n1 1 2 4\ndirect\n0.493094 0.493095 0.160871 Zr\n0.247020 0.247021 0.762457 Mn\n0.036431 0.036431 0.384705 Cu\n0.705000 0.705001 0.546100 Cu\n0.740653 0.740655 0.896816 Se\n0.250257 0.250258 0.346762 Se\n0.493205 0.493206 0.577734 Se\n0.002265 0.002265 0.022052 Se\n",
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{
"id": "jvasp-99334",
"created_at": "2022-09-04T14:36:34.877320Z",
"updated_at": "2022-09-04T14:36:34.877350Z",
"structure_string": "K2 U4 P6 O24\n1.0\n8.123001 -0.025991 5.624138\n2.932834 7.575111 5.624138\n-0.038064 -0.025991 9.879910\nK U P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.850669 0.850669 0.850670 U\n0.149330 0.149330 0.149331 U\n0.649330 0.649330 0.649331 U\n0.350669 0.350670 0.350670 U\n0.750000 0.043989 0.456011 P\n0.250000 0.956011 0.543989 P\n0.043989 0.456011 0.750000 P\n0.543989 0.250000 0.956011 P\n0.956011 0.543989 0.250000 P\n0.456011 0.750000 0.043989 P\n0.884371 0.486987 0.728083 O\n0.085765 0.929455 0.711178 O\n0.384371 0.228083 0.986987 O\n0.429455 0.585765 0.211178 O\n0.228082 0.986987 0.384371 O\n0.115629 0.513013 0.271917 O\n0.513013 0.271917 0.115630 O\n0.788823 0.570545 0.414235 O\n0.711178 0.085765 0.929455 O\n0.570545 0.414235 0.788823 O\n0.271917 0.115629 0.513013 O\n0.986987 0.384371 0.228083 O\n0.615629 0.771917 0.013014 O\n0.211177 0.429455 0.585765 O\n0.070545 0.288823 0.914235 O\n0.414235 0.788823 0.570545 O\n0.728082 0.884371 0.486988 O\n0.771917 0.013013 0.615629 O\n0.585765 0.211177 0.429455 O\n0.929455 0.711177 0.085766 O\n0.288822 0.914235 0.070545 O\n0.486987 0.728083 0.884371 O\n0.013013 0.615629 0.771917 O\n0.914235 0.070545 0.288823 O\n",
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{
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"created_at": "2022-09-04T14:36:44.713495Z",
"updated_at": "2022-09-04T14:36:44.713525Z",
"structure_string": "Na1 Sr2 I1 O6\n1.0\n4.992383 0.000000 2.882354\n1.664128 4.706864 2.882354\n0.000000 0.000000 5.764708\nNa Sr I O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Sr\n0.750000 0.749999 0.750000 Sr\n0.000000 0.000000 0.000000 I\n0.768043 0.231957 0.231957 O\n0.231957 0.768042 0.768043 O\n0.231957 0.768042 0.231956 O\n0.768043 0.231957 0.768043 O\n0.231957 0.231957 0.768043 O\n0.768043 0.768042 0.231956 O\n",
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{
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"created_at": "2022-09-04T14:36:43.741763Z",
"updated_at": "2022-09-04T14:36:43.741778Z",
"structure_string": "Tl2 V4 Ag2 O12\n1.0\n5.827117 0.045508 0.958436\n1.174022 7.298772 0.399636\n0.078908 0.028966 7.402908\nTl V Ag O\n2 4 2 12\ndirect\n0.250000 0.287894 0.712107 Tl\n0.750000 0.712106 0.287895 Tl\n0.717143 0.630134 0.795639 V\n0.782858 0.204362 0.369867 V\n0.282858 0.369867 0.204362 V\n0.217142 0.795639 0.630134 V\n0.250000 0.894408 0.105593 Ag\n0.750001 0.105593 0.894409 Ag\n0.351774 0.201420 0.050428 O\n0.148226 0.949572 0.798581 O\n0.480178 0.640776 0.666773 O\n0.727555 0.098996 0.575211 O\n0.772446 0.424790 0.901005 O\n0.272446 0.901005 0.424790 O\n0.227554 0.575211 0.098996 O\n0.980179 0.666773 0.640777 O\n0.519822 0.359225 0.333228 O\n0.019822 0.333228 0.359225 O\n0.851774 0.050428 0.201421 O\n0.648226 0.798580 0.949573 O\n",
"nsites": 20,
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"formula_full": "Tl2 V4 Ag2 O12",
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},
{
"id": "jvasp-103938",
"created_at": "2022-09-04T14:36:44.728857Z",
"updated_at": "2022-09-04T14:36:44.728871Z",
"structure_string": "Mg2 H4 C6 O8\n1.0\n4.144319 0.068919 1.199124\n0.255448 5.856466 0.356202\n0.198852 0.075296 7.628614\nMg H C O\n2 4 6 8\ndirect\n-0.008317 0.827526 0.441237 Mg\n-0.015584 0.797724 0.013001 Mg\n0.195552 0.298055 0.427522 H\n0.237109 0.269913 0.710067 H\n0.585713 0.393610 0.416651 H\n0.230082 0.314985 0.936906 H\n0.389907 0.309338 0.795158 C\n0.444080 0.317789 0.338621 C\n0.654293 0.119869 0.776802 C\n0.509046 0.546987 0.724818 C\n0.443242 0.496068 0.185311 C\n0.616088 0.086621 0.297284 C\n0.174507 0.620706 0.208665 O\n0.695013 0.529591 0.053570 O\n0.785038 0.564259 0.603348 O\n0.466185 0.907200 0.370931 O\n0.684878 0.021226 0.924829 O\n0.921800 0.063131 0.211402 O\n0.829199 0.071806 0.616062 O\n0.314453 0.717429 0.781979 O\n",
"nsites": 20,
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],
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"volume": 183.5405989474257,
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"formula_full": "Mg2 H4 C6 O8",
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{
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"created_at": "2022-09-04T14:36:34.898878Z",
"updated_at": "2022-09-04T14:36:34.898895Z",
"structure_string": "Te4 Mo2 W1 Se2\n1.0\n3.488912 0.000000 0.000000\n-1.744456 3.018151 0.141786\n0.000000 1.043684 20.988232\nTe Mo W Se\n4 2 1 2\ndirect\n0.804462 0.608926 0.933232 Te\n0.587545 0.175091 0.584307 Te\n0.745339 0.490679 0.109331 Te\n0.528123 0.056247 0.761205 Te\n0.441567 0.883137 0.021297 Mo\n0.667246 0.334494 0.346894 Mo\n0.224480 0.448961 0.672800 W\n0.307864 0.615732 0.424453 Se\n0.359962 0.719926 0.269325 Se\n",
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],
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{
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"created_at": "2022-09-04T14:36:43.589087Z",
"updated_at": "2022-09-04T14:36:43.589107Z",
"structure_string": "Na2 Li1 Ti1 F6\n1.0\n4.802636 0.000000 2.772803\n1.600879 4.527970 2.772803\n-0.000000 0.000000 5.545607\nNa Li Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Ti\n0.250444 0.250444 0.749556 F\n0.250444 0.749556 0.749556 F\n0.749557 0.749556 0.250442 F\n0.250444 0.749556 0.250443 F\n0.749557 0.250444 0.749556 F\n0.749557 0.250444 0.250443 F\n",
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}
]
}