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{
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"structure_string": "H20 C12\n1.0\n4.960889 0.017394 1.333263\n1.045104 5.628126 2.002003\n-0.022755 0.038126 8.250153\nH C\n20 12\ndirect\n0.819574 0.911901 0.444015 H\n0.830010 0.515207 0.826609 H\n0.169988 0.484794 0.173390 H\n0.917188 0.772427 0.662707 H\n0.082810 0.227573 0.337292 H\n0.586894 0.382226 0.322608 H\n0.215069 0.635030 0.884262 H\n0.784929 0.364970 0.115737 H\n0.211164 0.198464 0.974976 H\n0.788834 0.801537 0.025024 H\n0.413104 0.617774 0.677391 H\n0.447470 0.752917 0.092090 H\n0.570089 0.211195 0.612787 H\n0.429909 0.788806 0.387212 H\n0.478583 0.952654 0.776875 H\n0.521416 0.047347 0.223124 H\n0.988470 0.105547 0.763533 H\n0.011528 0.894454 0.236466 H\n0.180424 0.088100 0.555984 H\n0.552528 0.247084 0.907909 H\n0.254535 0.540421 0.784815 C\n0.745464 0.459579 0.215184 C\n0.361797 0.274739 0.860280 C\n0.638201 0.725261 0.139719 C\n0.407715 0.144618 0.722294 C\n0.029202 0.448263 0.581275 C\n0.142763 0.185622 0.652681 C\n0.857235 0.814379 0.347318 C\n0.970797 0.551738 0.418724 C\n0.009689 0.418746 0.285462 C\n0.592283 0.855383 0.277705 C\n0.990309 0.581254 0.714537 C\n",
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{
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"structure_string": "Li4 V8 O20\n1.0\n3.603275 -0.000000 0.000000\n0.000000 9.775128 0.000000\n0.000000 0.000000 10.601401\nLi V O\n4 8 20\ndirect\n0.749999 0.844812 0.773863 Li\n0.250001 0.155187 0.226138 Li\n0.749999 0.344812 0.726138 Li\n0.250001 0.655187 0.273862 Li\n0.250001 0.872657 -0.000372 V\n0.749999 0.935689 0.399462 V\n0.250001 0.064311 0.600538 V\n0.749999 0.435689 0.100538 V\n0.250001 0.564311 0.899462 V\n0.749999 0.627342 0.499628 V\n0.749999 0.127343 0.000371 V\n0.250001 0.372657 0.500371 V\n0.749999 0.753882 0.369818 O\n0.749999 0.521766 0.234220 O\n0.250001 0.935919 0.457386 O\n0.749999 0.064082 0.542614 O\n0.250001 0.435919 0.042614 O\n0.749999 0.564082 0.957386 O\n0.250001 0.071590 0.042118 O\n0.749999 0.021766 0.265780 O\n0.749999 0.220137 0.872268 O\n0.250001 0.279863 0.372269 O\n0.749999 0.720138 0.627731 O\n0.250001 0.978234 0.734220 O\n0.250001 0.779862 0.127731 O\n0.250001 0.478234 0.765780 O\n0.749999 0.428410 0.542118 O\n0.749999 0.928410 0.957883 O\n0.749999 0.253881 0.130182 O\n0.250001 0.246118 0.630182 O\n0.250001 0.571591 0.457882 O\n0.250001 0.746118 0.869818 O\n",
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{
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"structure_string": "Li4 Ti4 P4 O20\n1.0\n6.429033 -0.000000 0.000000\n-0.000000 7.257740 0.000000\n0.000000 0.000000 7.414474\nLi Ti P O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.721344 0.164216 Ti\n0.750000 0.278656 0.835783 Ti\n0.250000 0.778656 0.664216 Ti\n0.750000 0.221344 0.335784 Ti\n0.250000 0.130533 0.374007 P\n0.750000 0.869467 0.625992 P\n0.750000 0.630533 0.125992 P\n0.250000 0.369467 0.874007 P\n0.056285 0.255771 0.372353 O\n0.943714 0.744229 0.627646 O\n0.556285 0.755771 0.127646 O\n0.250000 0.015038 0.549126 O\n0.750000 0.984962 0.450873 O\n0.750000 0.515038 0.950873 O\n0.250000 0.484962 0.049127 O\n0.750000 0.503517 0.294513 O\n0.250000 0.496483 0.705487 O\n0.250000 0.003517 0.205487 O\n0.750000 -0.003517 0.794513 O\n0.056285 0.244229 0.872353 O\n0.250000 0.654532 0.389420 O\n0.250000 0.845468 0.889419 O\n0.750000 0.154532 0.110580 O\n0.443714 0.244229 0.872353 O\n0.943714 0.755771 0.127646 O\n0.556285 0.744229 0.627646 O\n0.443714 0.255771 0.372353 O\n0.750000 0.345468 0.610580 O\n",
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{
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"created_at": "2022-09-04T14:38:16.631938Z",
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"structure_string": "Th4 B8 O20\n1.0\n6.692289 0.016616 1.172414\n3.049793 5.956993 1.172414\n0.025592 0.015693 10.314091\nTh B O\n4 8 20\ndirect\n0.380825 0.982238 0.693696 Th\n0.619173 0.017762 0.306303 Th\n0.982238 0.380826 0.193696 Th\n0.017762 0.619173 0.806303 Th\n0.772769 0.278938 -0.000954 B\n0.721062 0.227231 0.500953 B\n0.278937 0.772768 0.499046 B\n0.561188 0.169630 0.859094 B\n0.169630 0.561187 0.359095 B\n0.438812 0.830369 0.140905 B\n0.830369 0.438812 0.640905 B\n0.227231 0.721062 0.000954 B\n0.831266 0.216023 0.375102 O\n0.783977 0.168734 0.124897 O\n0.168733 0.783976 0.624897 O\n0.216023 0.831266 0.875102 O\n0.398759 0.893482 0.468074 O\n0.106518 0.601240 0.031926 O\n0.601240 0.106518 0.531925 O\n0.893482 0.398760 0.968074 O\n0.054882 0.319958 0.657259 O\n0.945118 0.680041 0.342740 O\n0.319959 0.054882 0.157259 O\n0.645914 0.719590 0.188529 O\n0.719590 0.645914 0.688529 O\n0.354086 0.280410 0.811470 O\n0.360103 0.711575 0.089848 O\n0.711575 0.360103 0.589848 O\n0.639896 0.288424 0.910152 O\n0.288424 0.639896 0.410152 O\n0.680041 0.945118 0.842740 O\n0.280410 0.354086 0.311470 O\n",
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{
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"structure_string": "Si8 B24\n1.0\n-3.110796 4.202815 6.310998\n3.110796 -4.202815 6.310998\n3.110796 4.202815 -6.310998\nSi B\n8 24\ndirect\n0.654324 0.657358 0.003034 Si\n0.154323 0.151289 0.996966 Si\n0.345676 0.342642 0.996966 Si\n0.020560 0.687208 0.207768 Si\n0.479440 0.687208 0.666646 Si\n0.979439 0.312793 0.792232 Si\n0.520560 0.312793 0.333354 Si\n0.845677 0.848712 0.003034 Si\n0.323636 0.154156 0.480949 B\n0.176363 0.657314 0.830519 B\n0.173206 0.342688 0.519051 B\n0.326794 0.845845 0.169482 B\n0.676363 0.845845 0.519051 B\n0.823637 0.342687 0.169481 B\n0.826794 0.657313 0.480949 B\n0.673205 0.154156 0.830518 B\n0.777510 0.390539 0.392277 B\n0.073983 0.797192 0.723211 B\n0.426017 0.149228 0.723210 B\n0.568971 0.297485 0.728513 B\n0.931028 0.659542 0.728513 B\n0.068972 0.340459 0.271488 B\n0.431029 0.702516 0.271488 B\n0.998260 0.390539 0.613027 B\n0.501739 0.114767 0.392277 B\n0.277511 0.885233 0.386973 B\n0.222489 0.609462 0.607723 B\n0.001740 0.609462 0.386973 B\n0.498261 0.885233 0.607723 B\n0.722489 0.114767 0.613027 B\n0.926017 0.202809 0.276789 B\n0.573983 0.850773 0.276791 B\n",
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{
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"structure_string": "K4 Sb4 F24\n1.0\n8.291301 0.000000 -2.931418\n-4.145651 7.180478 -2.931418\n-0.000000 -0.000000 8.794254\nK Sb F\n4 4 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.166645 0.751816 0.702291 F\n0.464354 0.797709 0.549524 F\n0.333355 0.035647 0.585171 F\n0.751816 0.702291 0.166644 F\n0.950475 0.748184 0.914828 F\n0.035647 0.585172 0.333355 F\n0.748184 0.914829 0.950474 F\n0.914829 0.950475 0.748183 F\n0.702291 0.166645 0.751816 F\n0.549525 0.464354 0.797708 F\n0.414829 0.666645 0.964353 F\n0.251816 0.085171 0.049525 F\n0.297709 0.833356 0.248184 F\n0.049525 0.251816 0.085171 F\n0.797709 0.549525 0.464353 F\n0.964353 0.414829 0.666644 F\n0.450475 0.535647 0.202291 F\n0.248184 0.297709 0.833355 F\n0.666645 0.964354 0.414828 F\n0.535647 0.202291 0.450475 F\n0.833355 0.248184 0.297708 F\n0.085171 0.049525 0.251816 F\n0.202291 0.450475 0.535646 F\n0.585171 0.333355 0.035646 F\n",
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{
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"structure_string": "Zn4 Sb4 As4 O20\n1.0\n0.000000 7.622489 -0.000369\n7.632671 0.000000 0.000000\n0.000000 -0.000599 -8.703985\nZn Sb As O\n4 4 4 20\ndirect\n0.928926 0.419608 0.845678 Zn\n0.571073 0.580390 0.345677 Zn\n0.428927 0.080390 0.654324 Zn\n0.071074 0.919608 0.154323 Zn\n0.036902 0.518629 0.510109 Sb\n0.463097 0.481373 0.010099 Sb\n0.536903 0.981373 -0.010099 Sb\n0.963098 0.018629 0.489892 Sb\n0.349890 0.183477 0.323756 As\n0.150112 0.816523 0.823759 As\n0.650110 0.683477 0.676245 As\n0.849888 0.316523 0.176242 As\n0.108305 0.606578 0.761235 O\n0.573846 0.661289 0.139805 O\n0.926158 0.338701 0.639807 O\n0.318911 0.050481 0.164536 O\n0.181083 0.949514 0.664535 O\n0.818917 0.449514 0.335465 O\n0.681089 0.550480 0.835464 O\n0.391694 0.393419 0.261223 O\n0.891695 0.106578 0.238766 O\n0.160452 0.206311 0.433483 O\n0.507822 0.106157 0.445983 O\n0.992178 0.893847 0.945975 O\n0.007822 0.393847 0.054025 O\n0.492178 0.606157 0.554017 O\n0.426154 0.161289 0.860195 O\n0.339556 0.793690 0.933483 O\n0.660444 0.293690 0.066517 O\n0.839548 0.706310 0.566518 O\n0.608306 0.893419 0.738778 O\n0.073842 0.838701 0.360194 O\n",
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{
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{
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"formula_full": "La8 Si4 O20",
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{
"id": "jvasp-101932",
"created_at": "2022-09-04T14:36:58.246767Z",
"updated_at": "2022-09-04T14:36:58.246780Z",
"structure_string": "Mg2 H12 C10 O8\n1.0\n6.171692 -0.102156 1.107783\n1.164972 6.540657 0.596264\n0.023679 0.244495 7.448251\nMg H C O\n2 12 10 8\ndirect\n0.032485 0.883003 0.570051 Mg\n0.523060 0.808227 0.692154 Mg\n0.084781 0.228348 0.114562 H\n0.399902 0.317278 0.108705 H\n0.797426 0.371748 0.562168 H\n0.619614 0.464381 0.125611 H\n0.547583 0.742664 0.269247 H\n0.348334 0.953507 0.213919 H\n0.003939 0.478371 0.937232 H\n0.227714 0.626089 0.147938 H\n0.823312 0.714993 0.966782 H\n-0.022228 0.784203 0.218401 H\n0.863472 0.266370 0.877816 H\n0.584723 0.995131 0.297893 H\n0.564809 0.350102 0.060047 C\n0.048586 0.636249 0.165681 C\n0.694737 0.244126 -0.069884 C\n0.969866 0.464870 0.301322 C\n0.461018 0.892754 0.311208 C\n0.009001 0.257724 0.256733 C\n-0.009856 0.634334 0.974572 C\n0.616351 0.089696 0.846757 C\n0.862534 0.499849 0.476508 C\n0.275704 0.329966 0.596389 C\n0.828311 0.673792 0.548426 O\n0.348164 0.871700 0.494635 O\n0.432205 0.338176 0.490977 O\n0.425881 0.041277 0.886523 O\n0.130657 0.737178 0.832439 O\n0.753836 -0.005651 0.720414 O\n0.968327 0.103555 0.366113 O\n0.351188 0.601448 0.827357 O\n",
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}
]
}