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{
"id": "jvasp-91424",
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"structure_string": "Ca12 Nb16 O48 F8\n1.0\n10.562804 -0.000000 -0.000000\n0.000000 10.562804 -0.000000\n-0.000000 -0.000000 10.562804\nCa Nb O F\n12 16 48 8\ndirect\n0.875000 0.864650 0.614651 Ca\n0.385349 0.375000 0.635349 Ca\n0.135349 0.114651 0.625000 Ca\n0.114651 0.625000 0.135349 Ca\n0.625000 0.135349 0.114651 Ca\n0.364651 0.885349 0.125000 Ca\n0.614651 0.875000 0.864650 Ca\n0.375000 0.635349 0.385349 Ca\n0.864650 0.614651 0.875000 Ca\n0.635349 0.385349 0.375000 Ca\n0.885349 0.125000 0.364651 Ca\n0.125000 0.364651 0.885349 Ca\n0.125000 0.623592 0.626408 Nb\n0.125000 0.125000 0.125000 Nb\n0.625000 0.876407 0.373592 Nb\n0.376408 0.126408 0.375000 Nb\n0.623592 0.626408 0.125000 Nb\n0.625000 0.375000 0.875000 Nb\n0.123592 0.873592 0.875000 Nb\n0.876407 0.373592 0.625000 Nb\n0.375000 0.875000 0.625000 Nb\n0.375000 0.376408 0.126408 Nb\n0.626408 0.125000 0.623592 Nb\n0.875000 0.625000 0.375000 Nb\n0.373592 0.625000 0.876407 Nb\n0.873592 0.875000 0.123592 Nb\n0.875000 0.123592 0.873592 Nb\n0.126408 0.375000 0.376408 Nb\n0.489535 0.491667 0.811803 O\n0.258333 0.739535 0.561803 O\n0.561803 0.258333 0.739535 O\n0.188196 0.989535 0.008333 O\n0.244559 0.747753 0.948749 O\n0.744559 0.752246 0.051250 O\n0.752246 0.051250 0.744559 O\n0.239535 0.938196 0.741667 O\n0.997753 0.994559 0.801250 O\n0.198749 0.497753 0.505440 O\n0.448749 0.255440 0.252247 O\n0.551250 0.755440 0.247753 O\n0.755440 0.247753 0.551250 O\n0.010465 0.508333 0.311804 O\n0.948749 0.244559 0.747753 O\n0.260465 0.061804 0.241667 O\n0.747753 0.948749 0.244559 O\n0.510465 0.991667 0.688196 O\n0.508333 0.311804 0.010465 O\n0.811803 0.489535 0.491667 O\n0.008333 0.188196 0.989535 O\n0.698749 0.002247 0.494559 O\n0.760465 0.438196 0.758332 O\n0.438196 0.758332 0.760465 O\n0.688196 0.510465 0.991667 O\n0.247753 0.551250 0.755440 O\n0.002247 0.494559 0.698749 O\n0.311804 0.010465 0.508333 O\n0.491667 0.811803 0.489535 O\n0.252247 0.448749 0.255440 O\n0.061804 0.241667 0.260465 O\n0.989535 0.008333 0.188196 O\n0.051250 0.744559 0.752246 O\n0.505440 0.198749 0.497753 O\n0.991667 0.688196 0.510465 O\n0.741667 0.239535 0.938196 O\n0.494559 0.698749 0.002247 O\n0.739535 0.561803 0.258333 O\n0.502246 0.005440 0.301250 O\n0.938196 0.741667 0.239535 O\n0.005440 0.301250 0.502246 O\n0.301250 0.502246 0.005440 O\n0.758332 0.760465 0.438196 O\n0.255440 0.252247 0.448749 O\n0.801250 0.997753 0.994559 O\n0.497753 0.505440 0.198749 O\n0.994559 0.801250 0.997753 O\n0.241667 0.260465 0.061804 O\n0.239243 0.260756 0.739243 F\n0.510756 0.989243 0.010757 F\n0.010757 0.510756 0.989243 F\n0.489243 0.489243 0.489243 F\n0.260756 0.739243 0.239243 F\n0.739243 0.239243 0.260756 F\n0.989243 0.010757 0.510756 F\n0.760756 0.760756 0.760756 F\n",
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"formula_full": "Ca12 Nb16 O48 F8",
"formula_reduced": "Ca3Nb4(O6F)2",
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{
"id": "jvasp-12045",
"created_at": "2022-09-04T14:38:13.094719Z",
"updated_at": "2022-09-04T14:38:13.094739Z",
"structure_string": "Mg3 Si4 H2 O12\n1.0\n2.611166 4.617393 -0.496358\n-2.643262 4.623501 0.385070\n-0.116415 -0.020447 9.430298\nMg Si H O\n3 4 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666650 0.666868 0.000225 Mg\n0.333349 0.333131 0.999775 Mg\n0.236081 0.754676 0.704474 Si\n0.763918 0.245324 0.295526 Si\n0.901962 0.421834 0.704472 Si\n0.098037 0.578165 0.295528 Si\n0.595993 0.065607 0.780919 H\n0.404007 0.934393 0.219081 H\n0.450810 0.360092 0.355701 O\n0.549189 0.639907 0.644299 O\n0.984602 0.894447 0.353276 O\n0.015397 0.105552 0.646724 O\n0.915573 0.428898 0.353444 O\n0.704990 0.298532 0.118841 O\n0.040516 0.630421 0.118808 O\n0.959483 0.369578 0.881192 O\n0.629355 0.033801 0.885839 O\n0.295009 0.701467 0.881159 O\n0.084426 0.571101 0.646556 O\n0.370644 0.966198 0.114161 O\n",
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{
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"created_at": "2022-09-04T14:36:37.778649Z",
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"structure_string": "Ga2 Ge4 Pb3 O14\n1.0\n4.245041 -7.352628 0.000000\n4.245041 7.352628 -0.000000\n0.000000 -0.000000 5.009172\nGa Ge Pb O\n2 4 3 14\ndirect\n0.666667 0.333333 0.493177 Ga\n0.333333 0.666667 0.506823 Ga\n0.244035 -0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n-0.000000 0.244035 0.500000 Ge\n0.755964 0.755964 0.500000 Ge\n0.571259 -0.000000 0.000000 Pb\n-0.000000 0.571259 0.000000 Pb\n0.428741 0.428741 0.000000 Pb\n0.158280 0.448530 0.668770 O\n0.911834 0.791542 0.766758 O\n0.088166 0.879709 0.233242 O\n0.709750 0.551470 0.331230 O\n0.448530 0.158280 0.331230 O\n0.879709 0.088166 0.766758 O\n0.290250 0.841720 0.668770 O\n0.120291 0.208457 0.233242 O\n0.791542 0.911834 0.233242 O\n0.333333 0.666667 0.148644 O\n0.551470 0.709750 0.668770 O\n0.666667 0.333333 0.851355 O\n0.841720 0.290250 0.331230 O\n0.208457 0.120291 0.766758 O\n",
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{
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"updated_at": "2022-09-04T14:38:52.353659Z",
"structure_string": "Li2 Cr3 P4 O14\n1.0\n6.083804 -0.194279 1.393519\n1.625937 5.941261 1.675023\n0.133101 -0.017847 7.327106\nLi Cr P O\n2 3 4 14\ndirect\n0.522434 0.007628 0.689334 Li\n0.477566 0.992371 0.310666 Li\n0.790560 0.511736 0.671624 Cr\n0.209440 0.488263 0.328376 Cr\n0.000000 0.000000 0.000000 Cr\n0.180189 0.752413 0.667248 P\n0.357804 0.318223 0.926143 P\n0.642196 0.681776 0.073857 P\n0.819811 0.247586 0.332753 P\n0.598136 0.299802 0.810385 O\n0.408710 0.797948 0.561856 O\n0.657292 0.716280 0.856843 O\n0.401863 0.700197 0.189615 O\n-0.009828 0.053094 0.260922 O\n0.009829 0.946906 0.739078 O\n0.925513 0.360339 0.443601 O\n0.254992 0.155900 0.871680 O\n0.074487 0.639660 0.556399 O\n0.787969 0.430673 0.131236 O\n0.591290 0.202051 0.438144 O\n0.342708 0.283719 0.143157 O\n0.745008 0.844099 0.128320 O\n0.212031 0.569326 0.868764 O\n",
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{
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"created_at": "2022-09-04T14:38:17.542905Z",
"updated_at": "2022-09-04T14:38:17.542926Z",
"structure_string": "Na2 Cd3 P4 O14\n1.0\n5.705605 0.013982 -0.018629\n2.649832 6.552346 0.005999\n1.010808 1.501231 7.711327\nNa Cd P O\n2 3 4 14\ndirect\n0.582722 0.008713 0.682921 Na\n0.417277 0.991287 0.317080 Na\n0.188820 0.536126 0.308573 Cd\n0.000000 0.000000 0.000000 Cd\n0.811180 0.463874 0.691428 Cd\n0.194985 0.737969 0.665286 P\n0.653560 0.671618 0.076238 P\n0.346439 0.328382 0.923762 P\n0.805014 0.262031 0.334715 P\n0.373274 0.760545 0.142346 O\n0.187288 0.238141 0.843671 O\n0.812711 0.761859 0.156329 O\n0.626725 0.239455 0.857654 O\n0.448238 0.738568 0.574088 O\n0.313602 0.301717 0.118414 O\n0.686397 0.698283 0.881587 O\n0.946127 0.342312 0.439315 O\n0.968769 0.058854 0.278716 O\n0.031230 0.941146 0.721285 O\n0.551761 0.261432 0.425913 O\n0.252872 0.574486 0.850557 O\n0.053872 0.657688 0.560685 O\n0.747127 0.425514 0.149443 O\n",
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{
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"created_at": "2022-09-04T14:37:55.874961Z",
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"structure_string": "V4 Zn6 Si8 O28\n1.0\n7.100097 -0.000000 3.023274\n2.440784 8.364854 4.116722\n0.336227 0.225688 9.059231\nV Zn Si O\n4 6 8 28\ndirect\n0.193884 0.250000 0.750000 V\n0.806116 0.750000 0.250000 V\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.938824 0.902645 0.441342 Zn\n0.282812 0.597354 0.058657 Zn\n0.717188 0.402646 0.941342 Zn\n0.604180 0.250000 0.749999 Zn\n0.061176 0.097355 0.558657 Zn\n0.395821 0.750000 0.250000 Zn\n0.526078 0.710269 0.653970 Si\n0.232360 0.599029 0.642198 Si\n0.109684 0.210269 0.153970 Si\n0.526412 0.099029 0.142198 Si\n0.473589 0.900971 0.857801 Si\n0.890317 0.789731 0.846029 Si\n0.473923 0.289731 0.346029 Si\n0.767640 0.400971 0.357801 Si\n0.063286 0.175559 0.016632 O\n0.101760 0.064698 0.342418 O\n0.642708 0.266649 0.425905 O\n0.508874 0.435302 0.157581 O\n0.664738 0.766649 0.925905 O\n0.881717 0.917344 0.247181 O\n0.491126 0.564698 0.842418 O\n0.458238 0.089763 0.806594 O\n0.898240 0.935302 0.657581 O\n0.645406 0.589763 0.306594 O\n0.335263 0.233351 0.074094 O\n0.490558 0.875420 0.684521 O\n0.711439 0.164391 0.967631 O\n0.744523 0.675559 0.516631 O\n0.255477 0.324441 0.483368 O\n0.953758 0.417345 0.747181 O\n0.357292 0.733351 0.574094 O\n0.050500 0.624580 0.815479 O\n0.936714 0.824441 0.983367 O\n0.354595 0.410237 0.693405 O\n0.949501 0.375420 0.184521 O\n0.288561 0.835608 0.032368 O\n0.118284 0.082656 0.752818 O\n0.541762 0.910236 0.193405 O\n0.046243 0.582655 0.252818 O\n0.156537 0.664391 0.467632 O\n0.509443 0.124580 0.315479 O\n0.843465 0.335609 0.532367 O\n",
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},
{
"id": "jvasp-34318",
"created_at": "2022-09-04T14:37:12.583385Z",
"updated_at": "2022-09-04T14:37:12.583398Z",
"structure_string": "Ba3 Ga2 Ge4 O14\n1.0\n4.342493 -7.521418 0.000000\n4.342493 7.521418 -0.000000\n0.000000 0.000000 5.082448\nBa Ga Ge O\n3 2 4 14\ndirect\n-0.000000 0.571717 0.000000 Ba\n0.571717 -0.000000 0.000000 Ba\n0.428282 0.428282 0.000000 Ba\n0.666667 0.333333 0.500896 Ga\n0.333333 0.666667 0.499105 Ga\n0.756145 0.756145 0.500000 Ge\n-0.000000 0.243855 0.500000 Ge\n0.243855 -0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.835571 0.282728 0.347963 O\n0.903948 0.794407 0.770037 O\n0.447157 0.164428 0.347963 O\n0.666667 0.333333 0.851330 O\n0.552843 0.717271 0.652037 O\n0.282728 0.835571 0.652037 O\n0.333333 0.666667 0.148671 O\n0.096051 0.890459 0.229963 O\n0.109541 0.205592 0.229963 O\n0.205592 0.109541 0.770037 O\n0.717271 0.552843 0.347963 O\n0.164428 0.447157 0.652037 O\n0.890459 0.096051 0.770037 O\n0.794407 0.903948 0.229963 O\n",
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],
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},
{
"id": "jvasp-42384",
"created_at": "2022-09-04T14:37:28.853551Z",
"updated_at": "2022-09-04T14:37:28.853586Z",
"structure_string": "Li3 Mn2 P4 O14\n1.0\n4.924840 0.060859 -0.014370\n2.227712 6.669572 0.021676\n0.004012 0.110838 8.112020\nLi Mn P O\n3 2 4 14\ndirect\n0.167517 0.332922 0.145832 Li\n0.285406 0.905466 0.832064 Li\n0.823369 0.656896 0.635165 Li\n0.212867 0.277753 0.494395 Mn\n0.801344 0.730334 0.013873 Mn\n0.395803 0.474860 0.812234 P\n0.215367 0.920163 0.224002 P\n0.797036 0.089693 0.694017 P\n0.598323 0.516288 0.321472 P\n0.806888 0.461664 0.469693 O\n0.750780 0.489545 0.156585 O\n0.550115 0.631928 0.803023 O\n0.370453 0.927496 0.059867 O\n0.436100 0.755010 0.347071 O\n0.632937 0.253855 0.829116 O\n0.202775 0.496586 0.960911 O\n0.365207 0.415279 0.324898 O\n0.227879 0.479931 0.650768 O\n0.870409 0.886294 0.786613 O\n0.155106 0.120491 0.311668 O\n0.089385 0.119922 0.662418 O\n0.606199 0.105137 0.544349 O\n0.950611 0.860012 0.200282 O\n",
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{
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"created_at": "2022-09-04T14:36:07.348560Z",
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"structure_string": "Li2 U3 P4 O20\n1.0\n5.236978 -0.027967 -0.842375\n-2.458904 6.253312 -0.569426\n-0.010787 -0.083965 12.562914\nLi U P O\n2 3 4 20\ndirect\n0.386149 0.926642 0.185795 Li\n0.613851 0.073357 0.814205 Li\n0.882605 0.847918 0.631607 U\n0.117395 0.152080 0.368393 U\n0.000000 0.500000 -0.000000 U\n0.520602 0.421899 0.185819 P\n0.011751 0.667277 0.358059 P\n0.988249 0.332721 0.641941 P\n0.479398 0.578100 0.814181 P\n0.842996 0.175562 0.712892 O\n0.233712 0.955161 0.713818 O\n0.689311 0.560717 0.302579 O\n0.016256 0.811614 0.461188 O\n0.310689 0.439281 0.697421 O\n0.883252 0.511150 0.625666 O\n0.280364 0.623347 0.879137 O\n0.687600 0.782765 0.789190 O\n0.116748 0.488849 0.374333 O\n0.463572 0.243620 0.446391 O\n0.619067 0.436828 0.868235 O\n0.380933 0.563170 0.131764 O\n0.536428 0.756379 0.553608 O\n0.719636 0.376651 0.120862 O\n0.766288 0.044837 0.286181 O\n0.943232 0.220056 0.952665 O\n0.983743 0.188384 0.538812 O\n0.312400 0.217234 0.210809 O\n0.056768 0.779942 0.047334 O\n0.157004 0.824437 0.287108 O\n",
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