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{
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{
"id": "jvasp-101927",
"created_at": "2022-09-04T14:36:54.264575Z",
"updated_at": "2022-09-04T14:36:54.264596Z",
"structure_string": "Zn1 H20 C12 O4\n1.0\n3.902886 -0.069655 0.102818\n2.059086 4.228750 0.913827\n-0.661749 0.085229 17.312259\nZn H C O\n1 20 12 4\ndirect\n0.725506 0.084406 0.846454 Zn\n0.153416 0.628489 0.539317 H\n0.015549 0.006910 0.632318 H\n0.274896 0.789047 0.029135 H\n0.142885 0.507365 0.189940 H\n0.517107 0.615739 0.170751 H\n0.406372 0.355710 0.339962 H\n0.784453 0.451448 0.313810 H\n0.695282 0.188432 0.486466 H\n0.073698 0.279959 0.457723 H\n0.930256 0.645734 0.032807 H\n0.397430 0.088530 0.600550 H\n0.395593 0.113097 0.101181 H\n0.774088 0.215710 0.084896 H\n0.605724 0.960589 0.251585 H\n-0.013027 0.052993 0.226832 H\n0.869355 0.799648 0.396591 H\n0.248200 0.890453 0.368440 H\n0.457136 0.439413 0.681569 H\n0.836267 0.504407 0.644517 H\n0.532341 0.713805 0.508330 H\n0.321511 0.500241 0.947365 C\n0.235620 0.574783 0.028498 C\n0.474835 0.310122 0.097126 C\n0.440223 0.416445 0.176037 C\n0.694623 0.153547 0.243618 C\n0.696524 0.257867 0.322039 C\n0.292993 0.905458 0.609164 C\n-0.019168 0.089250 0.466412 C\n0.250826 0.816595 0.530112 C\n0.564618 0.619745 0.669201 C\n0.670738 0.675524 0.747593 C\n-0.039143 0.991182 0.387723 C\n0.221045 0.723788 0.887705 O\n0.852713 0.440347 0.802809 O\n0.586543 0.959195 0.753312 O\n0.505796 0.211116 0.943197 O\n",
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"formula_anonymous": "AB4C12D20",
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{
"id": "jvasp-104015",
"created_at": "2022-09-04T14:36:54.250589Z",
"updated_at": "2022-09-04T14:36:54.250613Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n3.838345 -0.200944 -0.361401\n-0.396977 4.922657 -0.378883\n0.398266 0.881922 15.875281\nH Pb C O\n20 1 12 4\ndirect\n0.495643 0.562487 0.402388 H\n0.891783 0.306019 0.487460 H\n0.160343 0.307341 0.929779 H\n0.580050 0.286963 0.978262 H\n0.377820 0.420868 0.781001 H\n0.815174 0.391778 0.815746 H\n0.595615 0.585239 0.633460 H\n0.037141 0.574712 0.668492 H\n0.797969 0.794982 0.492739 H\n0.241193 0.795116 0.527707 H\n-0.015361 0.046322 0.354543 H\n0.428161 0.041227 0.389054 H\n0.377331 0.800843 0.891527 H\n0.799209 0.749811 0.929371 H\n0.541034 0.915264 0.754094 H\n0.976986 0.893992 0.790031 H\n0.716580 0.091836 0.619142 H\n0.156626 0.084777 0.654706 H\n0.073417 0.556218 0.355286 H\n0.334045 0.306109 0.521991 H\n0.008817 0.935783 0.161144 Pb\n0.295231 0.566344 0.039167 C\n0.396355 0.431511 0.959194 C\n0.553125 0.642594 0.899115 C\n0.619433 0.535956 0.811368 C\n0.742886 0.775745 0.757126 C\n0.825940 0.705421 0.667239 C\n0.206767 0.159247 0.393279 C\n0.021383 0.916957 0.528489 C\n0.112659 0.185449 0.484859 C\n0.299690 0.440983 0.358235 C\n0.456372 0.459761 0.272931 C\n0.930753 -0.036227 0.619306 C\n0.072650 0.442373 0.084620 O\n0.507939 0.700215 0.244611 O\n0.536795 0.249096 0.236197 O\n0.430496 0.815528 0.056695 O\n",
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],
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"formula_full": "H20 Pb1 C12 O4",
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"formula_anonymous": "AB4C12D20",
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{
"id": "jvasp-101967",
"created_at": "2022-09-04T14:37:02.135688Z",
"updated_at": "2022-09-04T14:37:02.135697Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n4.007552 0.063583 0.101066\n1.006004 4.204570 0.045652\n-0.271822 0.023092 16.853480\nCd H C O\n1 20 12 4\ndirect\n0.325071 0.953537 0.857146 Cd\n0.702700 0.693036 0.514784 H\n0.828862 0.165146 0.588874 H\n0.426208 0.782179 0.015445 H\n0.202924 0.345056 0.145520 H\n0.794153 0.369845 0.188163 H\n0.436286 0.264405 0.293435 H\n0.011189 0.317018 0.329097 H\n0.643390 0.208542 0.440006 H\n0.212828 0.272659 0.472757 H\n0.587566 0.389172 0.053666 H\n0.391008 0.242222 0.617683 H\n0.979097 0.899116 0.086149 H\n0.584558 0.926383 0.134986 H\n0.266209 0.808873 0.227851 H\n0.844131 0.859093 0.264638 H\n0.494719 0.744284 0.370215 H\n0.065696 0.807407 0.403713 H\n0.899557 0.640848 0.662882 H\n0.451032 0.752224 0.685207 H\n0.268159 0.768486 0.545032 H\n0.905097 0.532294 0.965606 C\n0.659094 0.608520 0.035427 C\n0.803509 0.755108 0.106879 C\n0.974187 0.514747 0.170420 C\n0.072728 0.676181 0.243965 C\n0.206210 0.448178 0.312848 C\n0.598990 0.359057 0.602445 C\n0.413693 0.397855 0.457012 C\n0.495873 0.573905 0.529733 C\n0.671536 0.547502 0.674527 C\n0.738808 0.341103 0.748424 C\n0.294534 0.618373 0.385974 C\n0.135780 0.273529 0.965528 O\n0.528266 0.407541 0.807374 O\n-0.002055 0.101283 0.747872 O\n0.871201 0.743985 0.909429 O\n",
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"formula_full": "Cd1 H20 C12 O4",
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{
"id": "jvasp-97595",
"created_at": "2022-09-04T14:36:10.660422Z",
"updated_at": "2022-09-04T14:36:10.660439Z",
"structure_string": "Mg3 V6 Fe4 O24\n1.0\n6.325012 -0.114201 -1.706893\n-2.380235 7.226612 -2.172153\n0.021176 -0.127235 9.662978\nMg V Fe O\n3 6 4 24\ndirect\n0.000000 0.500000 0.500000 Mg\n0.276525 0.291575 0.796954 Mg\n0.723475 0.708425 0.203047 Mg\n0.784319 0.343741 0.734671 V\n0.600789 0.254104 0.130181 V\n0.118287 0.105486 0.337838 V\n0.399211 0.745897 0.869820 V\n0.881713 0.894514 0.662163 V\n0.215681 0.656260 0.265330 V\n0.955881 0.803550 0.987789 Fe\n0.376704 0.962416 0.601435 Fe\n0.623296 0.037584 0.398566 Fe\n0.044118 0.196450 0.012212 Fe\n0.874319 0.983817 0.355719 O\n0.766112 0.188326 0.027746 O\n0.233888 0.811674 0.972255 O\n0.009496 0.718753 0.154100 O\n0.990504 0.281247 0.845901 O\n0.838505 0.669909 0.577831 O\n0.435734 0.875817 0.758631 O\n0.161495 0.330092 0.422170 O\n0.254184 0.516662 0.742214 O\n0.745816 0.483339 0.257787 O\n0.793176 0.290681 0.543917 O\n0.206823 0.709319 0.456084 O\n0.651705 0.959209 0.569821 O\n0.348294 0.040792 0.430180 O\n0.657887 0.763103 0.004568 O\n0.342113 0.236897 0.995433 O\n0.477322 0.776918 0.266406 O\n0.522677 0.223083 0.733595 O\n0.125681 0.016183 0.644282 O\n0.081087 0.056186 0.139475 O\n0.918913 0.943815 0.860526 O\n0.564266 0.124183 0.241370 O\n0.172010 0.428365 0.172154 O\n0.827990 0.571635 0.827847 O\n",
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{
"id": "jvasp-96826",
"created_at": "2022-09-04T14:36:22.222864Z",
"updated_at": "2022-09-04T14:36:22.222884Z",
"structure_string": "Bi10 Mo3 O24\n1.0\n5.535743 -0.000048 -1.327506\n-0.201601 8.677313 -0.840719\n0.009150 0.049215 12.243611\nBi Mo O\n10 3 24\ndirect\n0.475199 0.677628 0.925170 Bi\n0.774730 0.545933 0.386627 Bi\n0.550028 0.322369 0.074830 Bi\n0.272942 0.817668 0.475444 Bi\n0.089411 0.594880 0.150868 Bi\n0.388101 0.454069 0.613372 Bi\n0.175992 0.249255 0.297478 Bi\n0.938545 0.405118 0.849130 Bi\n0.878519 0.750742 0.702522 Bi\n0.797505 0.182335 0.524558 Bi\n0.679522 0.927442 0.248265 Mo\n-0.003317 -0.000003 -0.000000 Mo\n0.431264 0.072560 0.751737 Mo\n0.152917 0.161446 0.970531 O\n0.027045 0.687403 0.551315 O\n0.650428 0.580245 0.782004 O\n0.475724 0.312582 0.448686 O\n0.868420 0.419754 0.217996 O\n0.756570 0.935810 0.881323 O\n0.360473 0.412453 0.212635 O\n0.704557 0.774643 0.143805 O\n0.544517 0.830756 0.342690 O\n0.147841 0.587548 0.787366 O\n0.560767 0.225346 0.856201 O\n0.543635 0.651792 0.550929 O\n0.267200 0.917897 0.788536 O\n0.478644 0.082091 0.211458 O\n0.182374 0.838543 0.029467 O\n0.781369 0.500001 0.000000 O\n0.617726 0.003871 0.657503 O\n0.295606 0.499996 -0.000004 O\n0.875227 0.064182 0.118669 O\n0.103252 0.650136 0.345762 O\n0.960213 0.996146 0.342493 O\n0.757502 0.349882 0.654232 O\n0.201831 0.169254 0.657322 O\n0.992711 0.348210 0.449067 O\n",
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{
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"created_at": "2022-09-04T14:36:10.211135Z",
"updated_at": "2022-09-04T14:36:10.211159Z",
"structure_string": "Fe2 P6 H12 O18\n1.0\n6.505436 3.219690 -1.817316\n-6.505436 3.219690 1.817316\n0.123674 0.000000 9.659753\nFe P H O\n2 6 12 18\ndirect\n0.089308 0.699125 0.643488 Fe\n0.300875 0.910692 0.143488 Fe\n0.794177 0.390033 0.066334 P\n0.609967 0.205823 0.566334 P\n0.942015 0.857718 0.321017 P\n0.142282 0.057985 0.821016 P\n0.321232 0.601717 0.442679 P\n0.398282 0.678768 0.942678 P\n0.664830 0.693554 0.544598 H\n0.702562 0.944281 0.278986 H\n0.055719 0.297438 0.778986 H\n0.399573 0.196001 0.362428 H\n0.803998 0.600427 0.862428 H\n0.306446 0.335170 0.044598 H\n0.215320 0.390947 0.391078 H\n0.353354 0.213177 0.762481 H\n0.786823 0.646645 0.262482 H\n0.723569 0.143664 0.515830 H\n0.856337 0.276430 0.015830 H\n0.609053 0.784680 0.891077 H\n0.513223 0.637086 0.570072 O\n0.362914 0.486777 0.070073 O\n0.437643 0.799736 0.321336 O\n0.200264 0.562357 0.821336 O\n0.859050 0.010836 0.253372 O\n0.989164 0.140950 0.753371 O\n0.182932 0.985609 0.276370 O\n0.014391 0.817068 0.776369 O\n0.524068 0.310850 0.432106 O\n0.937071 0.815044 0.483924 O\n0.689150 0.475932 0.932106 O\n0.604454 0.220922 0.164464 O\n0.779078 0.395546 0.664464 O\n0.405584 0.988438 0.640731 O\n0.011562 0.594416 0.140731 O\n0.136379 0.579214 0.502808 O\n0.184955 0.062929 0.983924 O\n0.420786 0.863620 0.002808 O\n",
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{
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"created_at": "2022-09-04T14:36:10.846656Z",
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"structure_string": "Na4 Ca2 V8 O24\n1.0\n4.962611 0.000000 -0.000000\n-0.000000 10.423553 0.000000\n-0.000000 -0.000000 10.423553\nNa Ca V O\n4 2 8 24\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.000000 0.027165 0.750000 V\n0.000000 0.527165 0.250000 V\n0.000000 0.250000 0.972835 V\n0.000000 0.972835 0.250000 V\n0.000000 0.472835 0.750000 V\n0.000000 0.750000 0.472835 V\n0.000000 0.250000 0.527165 V\n0.000000 0.750000 0.027165 V\n0.846273 0.870692 0.370692 O\n0.242126 0.438815 0.182010 O\n0.242126 0.182010 0.061185 O\n0.846273 0.129308 0.870692 O\n0.846273 0.370692 0.629308 O\n0.242126 0.561185 0.682010 O\n0.153727 0.370692 0.870692 O\n0.242126 0.938815 0.817989 O\n0.242126 0.682010 0.938815 O\n0.242126 0.817989 0.561185 O\n0.757874 0.682010 0.561185 O\n0.757874 0.938815 0.682010 O\n0.757874 0.561185 0.817989 O\n0.757874 0.817989 0.938815 O\n0.757874 0.438815 0.317989 O\n0.757874 0.061185 0.182010 O\n0.757874 0.317989 0.061185 O\n0.757874 0.182010 0.438815 O\n0.242126 0.317989 0.438815 O\n0.242126 0.061185 0.317989 O\n0.153727 0.629308 0.370692 O\n0.153727 0.129308 0.629308 O\n0.153727 0.870692 0.129308 O\n0.846273 0.629308 0.129308 O\n",
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{
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"created_at": "2022-09-04T14:36:17.443268Z",
"updated_at": "2022-09-04T14:36:17.443295Z",
"structure_string": "Na6 Sr2 B10 O20\n1.0\n6.888213 -0.004204 2.430911\n3.407674 6.655151 1.206709\n0.042941 0.058616 9.731463\nNa Sr B O\n6 2 10 20\ndirect\n0.277466 0.017242 0.114304 Na\n0.722532 0.982760 0.885696 Na\n0.849686 0.505133 0.163661 Na\n0.150312 0.494869 0.836339 Na\n0.206024 0.281175 0.446516 Na\n0.793974 0.718826 0.553484 Na\n0.210452 0.948447 0.773753 Sr\n0.789546 0.051554 0.226247 Sr\n0.306578 0.624921 0.285137 B\n0.841375 0.249305 0.454686 B\n0.158624 0.750696 0.545314 B\n0.859006 0.324801 0.921365 B\n0.140993 0.675200 0.078635 B\n0.506721 0.228501 0.622907 B\n0.493278 0.771500 0.377093 B\n0.608923 0.668812 0.864076 B\n0.391075 0.331189 0.135923 B\n0.693421 0.375080 0.714863 B\n0.825579 0.250429 0.814962 O\n0.174420 0.749572 0.185038 O\n0.159289 0.650420 0.436671 O\n0.982521 0.220163 0.320697 O\n0.017478 0.779838 0.679303 O\n0.763089 0.535180 0.936234 O\n0.491091 0.862512 0.894080 O\n0.508908 0.137489 0.105920 O\n0.681366 0.178331 0.490060 O\n0.318632 0.821670 0.509940 O\n0.526847 0.312002 0.730932 O\n0.586086 0.590280 0.753194 O\n0.413912 0.409721 0.246806 O\n0.840709 0.349581 0.563328 O\n0.667698 0.798412 0.357943 O\n0.987505 0.206320 0.002826 O\n0.012493 0.793681 0.997174 O\n0.332300 0.201589 0.642057 O\n0.236909 0.464821 0.063765 O\n0.473151 0.687999 0.269068 O\n",
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"formula_full": "Na6 Sr2 B10 O20",
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{
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