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{
"id": "jvasp-88199",
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"updated_at": "2022-09-04T14:35:54.225260Z",
"structure_string": "Y2 Cu6 Se4 Cl2 O16\n1.0\n6.343903 -0.000000 0.000000\n-0.000000 7.005545 0.000000\n0.000000 0.000000 9.522412\nY Cu Se Cl O\n2 6 4 2 16\ndirect\n0.250000 0.268314 0.250000 Y\n0.750000 0.731685 0.750000 Y\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.750000 0.205899 0.750000 Cu\n0.250000 0.794101 0.250000 Cu\n0.000000 0.000000 0.500000 Cu\n0.250000 0.586024 0.562070 Se\n0.750000 0.413975 0.437930 Se\n0.750000 0.413975 0.062070 Se\n0.250000 0.586024 0.937930 Se\n0.250000 0.152666 0.750000 Cl\n0.750000 0.847333 0.250000 Cl\n0.962429 0.262445 0.410554 O\n0.537571 0.262445 0.410554 O\n0.462429 0.737554 0.910554 O\n0.750000 0.003615 0.611763 O\n0.250000 0.996384 0.388237 O\n0.037571 0.737554 0.910554 O\n0.962429 0.262445 0.089446 O\n0.250000 0.996384 0.111763 O\n0.037571 0.737554 0.589446 O\n0.462429 0.737554 0.589446 O\n0.537571 0.262445 0.089446 O\n0.750000 0.427292 0.619780 O\n0.250000 0.572708 0.119780 O\n0.750000 0.427292 0.880220 O\n0.750000 0.003615 0.888237 O\n0.250000 0.572708 0.380220 O\n",
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{
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"structure_string": "Al10 B2 O18\n1.0\n2.863956 -7.559656 0.000000\n2.863956 7.559656 0.000000\n0.000000 0.000000 7.760958\nAl B O\n10 2 18\ndirect\n0.632508 0.864105 0.666988 Al\n0.702942 0.297060 0.832840 Al\n0.443863 0.556139 0.982672 Al\n0.556139 0.443863 0.482672 Al\n0.255269 0.744733 0.980718 Al\n0.297060 0.702942 0.332840 Al\n0.135897 0.367494 0.666988 Al\n0.864105 0.632508 0.166988 Al\n0.367494 0.135897 0.166988 Al\n0.744733 0.255269 0.480718 Al\n0.984470 0.015532 0.945073 B\n0.015532 0.984470 0.445073 B\n0.046032 0.953970 0.073634 O\n0.257747 0.162186 0.380762 O\n0.742255 0.837816 0.880762 O\n0.191008 0.808993 0.231335 O\n0.808993 0.191008 0.731336 O\n0.351852 0.648150 0.128639 O\n0.648150 0.351852 0.628639 O\n0.953970 0.046032 0.573634 O\n0.553332 0.932810 0.466222 O\n0.545458 0.454543 0.094726 O\n0.067192 0.446669 0.466222 O\n0.932810 0.553332 0.966222 O\n0.446669 0.067192 0.966222 O\n0.837816 0.742255 0.380762 O\n0.330417 0.669584 0.797616 O\n0.669584 0.330417 0.297616 O\n0.454543 0.545458 0.594727 O\n0.162186 0.257747 0.880762 O\n",
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{
"id": "jvasp-96877",
"created_at": "2022-09-04T14:36:04.332974Z",
"updated_at": "2022-09-04T14:36:04.333004Z",
"structure_string": "K6 Li3 Al3 F18\n1.0\n4.301489 2.483466 10.095940\n-4.301489 2.483466 10.095940\n-0.000000 -4.966933 10.095940\nK Li Al F\n6 3 3 18\ndirect\n0.908239 0.908239 0.908238 K\n0.091761 0.091761 0.091761 K\n0.574906 0.574906 0.574905 K\n0.758429 0.758429 0.758427 K\n0.241572 0.241572 0.241571 K\n0.425095 0.425095 0.425094 K\n0.500000 0.500000 0.499999 Li\n0.166667 0.166667 0.166667 Li\n0.833334 0.833334 0.833332 Li\n0.333333 0.333333 0.333333 Al\n0.000000 0.000000 0.000000 Al\n0.666667 0.666667 0.666666 Al\n0.084751 0.584798 0.584797 F\n0.751417 0.251463 0.251463 F\n0.415203 0.915250 0.415202 F\n0.415203 0.415203 0.915249 F\n0.915250 0.415203 0.415202 F\n0.584798 0.084751 0.584797 F\n0.584798 0.584798 0.084750 F\n0.748537 0.248584 0.748536 F\n0.081870 0.581917 0.081869 F\n0.248584 0.748537 0.748536 F\n0.918131 0.418084 0.918129 F\n0.918131 0.918131 0.418082 F\n0.418084 0.918131 0.918129 F\n0.251463 0.251463 0.751416 F\n0.081870 0.081870 0.581916 F\n0.581917 0.081870 0.081869 F\n0.748537 0.748537 0.248583 F\n0.251463 0.751417 0.251463 F\n",
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{
"id": "jvasp-97634",
"created_at": "2022-09-04T14:35:58.668005Z",
"updated_at": "2022-09-04T14:35:58.668054Z",
"structure_string": "Ta2 P8 S10 Cl10\n1.0\n6.274399 -0.057617 -1.518116\n-3.319035 9.414212 -1.309117\n0.002158 0.055605 12.720143\nTa P S Cl\n2 8 10 10\ndirect\n0.384738 0.262125 0.149340 Ta\n0.615262 0.737874 0.850659 Ta\n0.073287 0.420856 0.690871 P\n0.956529 0.896834 0.254914 P\n0.926712 0.579143 0.309128 P\n0.751415 0.683212 0.411532 P\n0.043470 0.103165 0.745085 P\n0.120366 0.816259 0.512522 P\n0.248584 0.316787 0.588467 P\n0.879633 0.183740 0.487477 P\n0.659115 0.816430 0.311516 S\n0.989385 0.697819 0.187523 S\n0.214211 0.636073 0.447255 S\n0.830310 0.369608 0.246156 S\n0.010615 0.302180 0.812476 S\n0.785788 0.363926 0.552744 S\n0.207231 0.971533 0.413960 S\n0.169689 0.630391 0.753843 S\n0.340885 0.183569 0.688483 S\n0.792768 0.028466 0.586039 S\n0.521924 0.785556 0.014387 Cl\n0.478075 0.214443 -0.014388 Cl\n0.386440 0.487596 0.124423 Cl\n0.613560 0.512403 0.875576 Cl\n0.458007 0.056639 0.195143 Cl\n0.651056 0.683033 0.669134 Cl\n0.541992 0.943360 0.804856 Cl\n0.999261 0.845657 0.928846 Cl\n0.000738 0.154342 0.071153 Cl\n0.348944 0.316966 0.330865 Cl\n",
"nsites": 30,
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"formula_full": "Ta2 P8 S10 Cl10",
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{
"id": "jvasp-95996",
"created_at": "2022-09-04T14:36:03.596269Z",
"updated_at": "2022-09-04T14:36:03.596293Z",
"structure_string": "Zn2 H8 N4 O16\n1.0\n5.600472 0.000000 -0.018244\n0.000000 5.988716 0.000000\n0.128025 0.000000 8.555735\nZn H N O\n2 8 4 16\ndirect\n0.500000 0.500000 0.000000 Zn\n0.499999 0.000000 0.500001 Zn\n0.696932 0.165553 0.891483 H\n0.303066 0.665553 0.608518 H\n0.303067 0.834448 0.108518 H\n0.696932 0.334448 0.391483 H\n0.911829 0.277688 0.980866 H\n0.088169 0.777688 0.519135 H\n0.088170 0.722313 0.019135 H\n0.911830 0.222313 0.480866 H\n0.243479 0.354580 0.303728 N\n0.756520 0.854581 0.196273 N\n0.243478 0.145420 0.803728 N\n0.756520 0.645420 0.696273 N\n0.229867 0.260705 0.931125 O\n0.261898 0.745500 0.511384 O\n0.738100 0.245499 0.988617 O\n0.229867 0.239295 0.431125 O\n0.770132 0.739295 0.068876 O\n0.770131 0.760706 0.568876 O\n0.451324 0.390976 0.244951 O\n0.060278 0.073794 0.742546 O\n0.548675 0.609025 0.755050 O\n0.451323 0.109025 0.744951 O\n0.060278 0.426207 0.242546 O\n0.939721 0.926207 0.257455 O\n0.939721 0.573794 0.757455 O\n0.261899 0.754501 0.011384 O\n0.548676 0.890976 0.255050 O\n0.738101 0.254501 0.488617 O\n",
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"formula_full": "Zn2 H8 N4 O16",
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{
"id": "jvasp-63503",
"created_at": "2022-09-04T14:35:54.207493Z",
"updated_at": "2022-09-04T14:35:54.207515Z",
"structure_string": "Al10 B2 O18\n1.0\n2.863952 -7.559665 0.000000\n2.863952 7.559665 0.000000\n0.000000 0.000000 7.761060\nAl B O\n10 2 18\ndirect\n0.135900 0.367489 0.332610 Al\n0.702944 0.297056 0.166747 Al\n0.443859 0.556140 0.016933 Al\n0.556140 0.443859 0.516932 Al\n0.255271 0.744728 0.018861 Al\n0.297056 0.702944 0.666747 Al\n0.632510 0.864100 0.332610 Al\n0.367489 0.135900 0.832610 Al\n0.864100 0.632510 0.832610 Al\n0.744728 0.255271 0.518861 Al\n0.984475 0.015525 0.054529 B\n0.015525 0.984475 0.554529 B\n0.046033 0.953967 0.925964 O\n0.837810 0.742262 0.618841 O\n0.162189 0.257738 0.118841 O\n0.191007 0.808993 0.768259 O\n0.808993 0.191007 0.268259 O\n0.351855 0.648144 0.870943 O\n0.648144 0.351855 0.370943 O\n0.953967 0.046033 0.425964 O\n0.067189 0.446675 0.533364 O\n0.545456 0.454543 0.904878 O\n0.553325 0.932810 0.533364 O\n0.446675 0.067189 0.033364 O\n0.932810 0.553325 0.033364 O\n0.257738 0.162189 0.618841 O\n0.330428 0.669572 0.201956 O\n0.669572 0.330428 0.701956 O\n0.454543 0.545456 0.404878 O\n0.742262 0.837810 0.118841 O\n",
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{
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"created_at": "2022-09-04T14:36:03.477371Z",
"updated_at": "2022-09-04T14:36:03.477390Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n7.072239 -0.000000 -0.000000\n-3.536119 6.124739 0.000000\n0.000000 0.000000 17.574925\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.587339 Rb\n0.666667 0.333333 0.912661 Rb\n0.333333 0.666667 0.412661 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.087339 Rb\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.160697 Mg\n0.333333 0.666667 0.839302 Mg\n0.666667 0.333333 0.339302 Mg\n0.333333 0.666667 0.660697 Mg\n0.000000 0.000000 0.500000 Mg\n0.834000 0.667999 0.081876 Cl\n0.987592 0.493795 0.250000 Cl\n0.834000 0.667999 0.418124 Cl\n0.493795 0.987592 0.750000 Cl\n0.667999 0.834000 0.581876 Cl\n0.166000 0.834000 0.918124 Cl\n0.166000 0.332001 0.918124 Cl\n0.166000 0.834000 0.581876 Cl\n0.332001 0.166000 0.418124 Cl\n0.332001 0.166000 0.081876 Cl\n0.834000 0.166000 0.081876 Cl\n0.667999 0.834000 0.918124 Cl\n0.506205 0.493795 0.250000 Cl\n0.493795 0.506205 0.750000 Cl\n0.506205 0.012409 0.250000 Cl\n0.834000 0.166000 0.418124 Cl\n0.166000 0.332001 0.581876 Cl\n0.012409 0.506205 0.750000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:07.513679Z",
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"structure_string": "Mg2 Ti4 P4 O20\n1.0\n7.406678 -0.059884 0.000000\n-3.749494 6.435233 0.000000\n0.000000 0.000000 7.421734\nMg Ti P O\n2 4 4 20\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500000 0.500000 Mg\n0.024666 0.292066 0.722330 Ti\n0.975335 0.707935 0.277669 Ti\n0.524667 0.792066 0.777669 Ti\n0.475334 0.207934 0.222331 Ti\n0.750266 0.994368 0.376472 P\n0.250266 0.494368 0.123527 P\n0.249735 0.005632 0.623527 P\n0.749735 0.505633 0.876472 P\n0.097749 0.313961 0.998006 O\n0.369548 0.927265 0.736681 O\n0.902252 0.686039 0.001994 O\n0.228678 -0.003154 0.161322 O\n0.869548 0.427266 0.763318 O\n0.919241 0.176899 0.489710 O\n0.728678 0.496846 0.338677 O\n0.580760 0.323102 0.989709 O\n0.771323 0.003155 0.838677 O\n0.630453 0.072735 0.263318 O\n0.597749 0.813961 0.501993 O\n0.852943 0.911619 0.246412 O\n0.402252 0.186039 0.498006 O\n0.352942 0.411619 0.253588 O\n0.080760 0.823101 0.510290 O\n0.147058 0.088381 0.753588 O\n0.647059 0.588381 0.746411 O\n0.130453 0.572734 0.236682 O\n0.271323 0.503154 0.661322 O\n0.419241 0.676899 0.010290 O\n",
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{
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"created_at": "2022-09-04T14:35:44.912648Z",
"updated_at": "2022-09-04T14:35:44.912675Z",
"structure_string": "Ba2 Li2 Zr4 F22\n1.0\n7.090006 0.008867 -3.946607\n-4.642118 6.651750 -0.221210\n0.006188 -0.008867 8.114422\nBa Li Zr F\n2 2 4 22\ndirect\n-0.000000 0.804910 0.804910 Ba\n-0.000000 0.195089 0.195089 Ba\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.852751 0.214249 0.638502 Zr\n0.424254 0.638502 0.785751 Zr\n0.147249 0.785751 0.361498 Zr\n0.575746 0.361498 0.214249 Zr\n0.434612 0.489666 0.275153 F\n0.278657 0.811193 0.677563 F\n0.866370 0.467463 0.188806 F\n0.866370 0.677564 0.398907 F\n0.565388 0.840542 0.055055 F\n0.785488 0.944945 0.510334 F\n0.500000 0.500000 -0.000000 F\n0.071945 0.188958 0.882986 F\n0.721343 0.398907 0.532537 F\n0.500000 -0.000000 0.500000 F\n0.214512 0.724847 0.159458 F\n0.785488 0.275153 0.840541 F\n0.133630 0.532537 0.811193 F\n0.305972 0.117014 0.188958 F\n0.278657 0.601093 0.467463 F\n0.721343 0.188807 0.322437 F\n0.214513 0.055055 0.489666 F\n0.565389 0.510334 0.724846 F\n0.694029 0.882986 0.811042 F\n0.133630 0.322436 0.601093 F\n0.928056 0.811042 0.117013 F\n0.434612 0.159458 0.944945 F\n",
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{
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