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{
"id": "jvasp-33069",
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"updated_at": "2022-09-04T14:37:00.856185Z",
"structure_string": "Sb4 H12 O4 F24\n1.0\n-5.045475 5.045475 5.045475\n5.045475 -5.045475 5.045475\n5.045475 5.045475 -5.045475\nSb H O F\n4 12 4 24\ndirect\n0.500000 0.000000 0.003780 Sb\n0.000000 0.003780 0.500000 Sb\n0.003780 0.500000 0.000000 Sb\n0.496220 0.496220 0.496220 Sb\n0.001699 0.973160 0.872234 H\n0.973160 0.872234 0.001699 H\n0.627765 0.600926 0.129464 H\n0.498300 0.370535 0.971462 H\n0.526838 0.528537 0.899073 H\n0.872234 0.001699 0.973160 H\n0.899073 0.526838 0.528537 H\n0.129464 0.627765 0.600926 H\n0.528537 0.899073 0.526838 H\n0.600926 0.129464 0.627765 H\n0.370535 0.971462 0.498300 H\n0.971462 0.498300 0.370535 H\n0.500000 0.000000 0.521430 O\n0.000000 0.521430 0.500000 O\n0.521430 0.500000 0.000000 O\n0.978569 0.978569 0.978569 O\n0.459675 0.161914 0.906198 F\n0.702238 0.040324 0.946522 F\n0.161914 0.906198 0.459675 F\n0.040324 0.946522 0.702238 F\n0.553476 0.593801 0.755715 F\n0.946522 0.702238 0.040324 F\n0.744284 0.338086 0.797761 F\n0.906198 0.459675 0.161914 F\n0.338086 0.797761 0.744284 F\n0.797761 0.744284 0.338086 F\n0.417574 0.250979 0.461893 F\n0.544319 0.833404 0.082426 F\n0.461893 0.417574 0.250979 F\n0.082426 0.544319 0.833404 F\n0.249021 0.666594 0.210912 F\n0.038106 0.289087 0.955679 F\n0.210912 0.249021 0.666594 F\n0.955679 0.038106 0.289087 F\n0.833404 0.082426 0.544319 F\n0.289087 0.955679 0.038106 F\n0.755715 0.553476 0.593801 F\n0.666594 0.210912 0.249021 F\n0.250979 0.461893 0.417574 F\n0.593801 0.755715 0.553476 F\n",
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{
"id": "jvasp-101803",
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"structure_string": "H16 C24 S4\n1.0\n3.794826 0.146344 -0.307187\n0.103521 10.594169 -5.116187\n-0.371419 -0.260052 11.525466\nH C S\n16 24 4\ndirect\n0.506871 0.809751 0.005297 H\n0.063065 0.574656 0.391047 H\n0.563065 0.574657 0.891048 H\n0.200229 0.813109 0.328610 H\n0.752236 0.578306 0.715594 H\n0.252233 0.578305 0.215593 H\n0.636561 -0.001793 0.736271 H\n0.136570 -0.001794 0.236273 H\n0.700228 0.813110 0.828610 H\n0.064540 0.422333 0.780268 H\n0.736235 0.181115 0.186765 H\n0.236225 0.181114 0.686764 H\n0.223935 -0.003890 0.652276 H\n0.723948 -0.003890 0.152277 H\n0.006867 0.809751 0.505296 H\n0.564547 0.422332 0.280268 H\n0.850830 0.828575 0.174970 C\n0.350828 0.828577 0.674971 C\n0.914423 0.559320 0.044425 C\n0.414425 0.559319 0.544425 C\n0.222597 0.062272 0.858606 C\n0.170583 0.759090 0.551890 C\n0.670585 0.759089 0.051890 C\n0.703160 0.626812 0.986978 C\n0.203161 0.626811 0.486977 C\n0.576619 0.628348 0.671402 C\n0.722602 0.062272 0.358607 C\n0.076617 0.628348 0.171402 C\n0.491955 0.423532 0.465709 C\n0.048595 0.761193 0.235146 C\n0.359384 0.971545 0.727514 C\n0.859392 0.971543 0.227514 C\n0.650842 0.190249 0.376300 C\n0.150836 0.190247 0.876300 C\n0.991950 0.423533 0.965709 C\n0.566468 0.368014 0.335508 C\n0.066462 0.368014 0.835507 C\n0.659698 0.238046 0.285596 C\n0.159691 0.238045 0.785596 C\n0.548593 0.761194 0.735145 C\n0.168846 0.020175 0.974519 S\n0.027513 0.311963 0.025531 S\n0.527517 0.311963 0.525531 S\n0.668849 0.020174 0.474519 S\n",
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{
"id": "jvasp-32971",
"created_at": "2022-09-04T14:37:08.379348Z",
"updated_at": "2022-09-04T14:37:08.379369Z",
"structure_string": "Zr4 Se16 Cl24\n1.0\n10.352020 -0.000000 -0.000000\n0.000000 10.942488 -0.000000\n-0.000000 -0.000000 10.942488\nZr Se Cl\n4 16 24\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.500000 0.500000 Zr\n0.420062 0.593388 0.593388 Se\n0.579938 0.406612 0.406612 Se\n0.579938 0.093388 0.093388 Se\n0.420062 0.906613 0.906613 Se\n0.000000 0.606525 0.106525 Se\n0.500000 0.393476 0.606525 Se\n0.500000 0.893476 0.106525 Se\n0.500000 0.106525 0.893476 Se\n0.920062 0.906613 0.593388 Se\n0.000000 0.106525 0.606525 Se\n0.000000 0.893476 0.393476 Se\n0.500000 0.606525 0.393476 Se\n0.000000 0.393476 0.893476 Se\n0.920062 0.593388 0.906613 Se\n0.079938 0.406612 0.093388 Se\n0.079938 0.093388 0.406612 Se\n0.847852 0.060282 0.832730 Cl\n0.612551 0.639225 0.860775 Cl\n0.347852 0.060282 0.667271 Cl\n0.887449 0.360775 0.360775 Cl\n0.652148 0.560282 0.167270 Cl\n0.152148 0.560282 0.332730 Cl\n0.112551 0.639225 0.639225 Cl\n0.887449 0.139225 0.139225 Cl\n0.387449 0.139225 0.360775 Cl\n0.152148 0.939718 0.167270 Cl\n0.847852 0.667271 0.439718 Cl\n0.112551 0.860775 0.860775 Cl\n0.347852 0.439718 0.832730 Cl\n0.652148 0.939718 0.332730 Cl\n0.652148 0.332730 0.939718 Cl\n0.347852 0.832730 0.439718 Cl\n0.847852 0.439718 0.667271 Cl\n0.152148 0.332730 0.560282 Cl\n0.387449 0.360775 0.139225 Cl\n0.152148 0.167270 0.939718 Cl\n0.847852 0.832730 0.060282 Cl\n0.347852 0.667271 0.060282 Cl\n0.652148 0.167270 0.560282 Cl\n0.612551 0.860775 0.639225 Cl\n",
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"Se",
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],
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"formula_full": "Zr4 Se16 Cl24",
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{
"id": "jvasp-31918",
"created_at": "2022-09-04T14:37:08.123808Z",
"updated_at": "2022-09-04T14:37:08.123839Z",
"structure_string": "Al8 Cr4 Cl32\n1.0\n6.007857 0.000000 0.000000\n0.000000 12.655101 -0.000000\n0.000000 -0.000000 14.817147\nAl Cr Cl\n8 4 32\ndirect\n0.876251 0.091260 0.737865 Al\n0.618029 0.908699 0.010610 Al\n0.381971 0.408699 0.989390 Al\n0.876251 0.591259 0.762135 Al\n0.618029 0.408699 0.489390 Al\n0.123750 0.091260 0.237865 Al\n0.123750 0.591259 0.262135 Al\n0.381971 0.908699 0.510611 Al\n0.247782 0.499922 0.625865 Cr\n0.752219 -0.000078 0.374135 Cr\n0.247782 -0.000078 0.874135 Cr\n0.752219 0.499922 0.125865 Cr\n0.015419 0.430167 0.744282 Cl\n0.515428 0.831337 0.624343 Cl\n0.480875 0.845335 0.882588 Cl\n0.480875 0.345335 0.617413 Cl\n-0.006124 0.169174 0.123809 Cl\n0.014727 0.154515 0.865774 Cl\n0.484572 0.331337 0.375657 Cl\n0.984581 0.430167 0.244282 Cl\n0.985273 0.654515 0.134226 Cl\n0.519126 0.345335 0.117413 Cl\n0.006124 0.169174 0.623809 Cl\n0.984581 0.930167 0.255718 Cl\n0.520460 0.091385 0.740939 Cl\n0.519155 0.070020 0.492249 Cl\n0.515428 0.331337 0.875657 Cl\n0.479540 0.591385 0.259061 Cl\n0.484572 0.831337 0.124343 Cl\n0.026306 0.908977 0.508140 Cl\n0.480846 0.070020 0.992249 Cl\n0.015419 0.930167 0.755718 Cl\n0.973695 0.908977 0.008140 Cl\n0.006124 0.669174 0.876191 Cl\n0.014727 0.654515 0.634226 Cl\n0.519126 0.845335 0.382587 Cl\n0.026306 0.408977 -0.008140 Cl\n0.480846 0.570020 0.507751 Cl\n0.520460 0.591385 0.759062 Cl\n0.479540 0.091385 0.240939 Cl\n0.973695 0.408977 0.491861 Cl\n-0.006124 0.669174 0.376191 Cl\n0.519155 0.570020 0.007751 Cl\n0.985273 0.154515 0.365774 Cl\n",
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{
"id": "jvasp-98060",
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"structure_string": "H20 N12 O12\n1.0\n5.540675 0.000000 0.000000\n0.000000 7.883562 -0.182753\n0.000000 0.138639 8.107022\nH N O\n20 12 12\ndirect\n0.572513 0.524081 0.187966 H\n0.481313 0.679627 0.739435 H\n0.427488 0.475919 0.812034 H\n0.701316 0.451773 0.365065 H\n0.981314 0.820373 0.760565 H\n0.792906 0.325999 0.038307 H\n0.298685 0.548227 0.634935 H\n0.972203 0.455309 0.146218 H\n0.518688 0.320373 0.260565 H\n0.798686 0.951773 0.865065 H\n0.072512 0.975918 0.312034 H\n0.527799 0.955309 0.646219 H\n0.292905 0.174001 0.461693 H\n0.207095 0.674001 0.961693 H\n0.027798 0.544691 0.853782 H\n0.707095 0.825999 0.538307 H\n0.201315 0.048227 0.134935 H\n0.018687 0.179627 0.239435 H\n0.472202 0.044691 0.353782 H\n0.927488 0.024081 0.687966 H\n0.646806 0.419120 0.245401 N\n0.844156 0.332957 0.631643 N\n0.655845 0.832957 0.131643 N\n0.646565 0.855291 0.654637 N\n0.146565 0.644708 0.845364 N\n0.146805 0.080880 0.254600 N\n0.155845 0.667043 0.368357 N\n0.853436 0.355291 0.154637 N\n0.344155 0.167043 0.868357 N\n0.853195 0.919120 0.745401 N\n0.353436 0.144708 0.345363 N\n0.353195 0.580880 0.754600 N\n0.372283 0.290865 0.967932 O\n0.234446 0.525490 0.420315 O\n0.895206 0.315800 0.783280 O\n0.627718 0.709135 0.032068 O\n0.765555 0.474510 0.579685 O\n0.104795 0.684199 0.216720 O\n0.265555 0.025490 0.920315 O\n0.395206 0.184200 0.716720 O\n0.604795 0.815800 0.283280 O\n0.127718 0.790864 0.467933 O\n0.872283 0.209135 0.532067 O\n0.734446 0.974510 0.079685 O\n",
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"structure_string": "Ca4 V12 O28\n1.0\n5.295766 -0.000000 0.000000\n0.000000 10.388904 0.000000\n0.000000 0.000000 10.386648\nCa V O\n4 12 28\ndirect\n0.701766 0.750000 0.915546 Ca\n0.201766 0.250000 0.584454 Ca\n0.298235 0.250000 0.084454 Ca\n0.798235 0.750000 0.415546 Ca\n0.720323 0.980277 0.684010 V\n0.779678 0.980277 0.184010 V\n0.720323 0.519722 0.684010 V\n0.279677 0.019723 0.315990 V\n0.288241 0.750000 0.203751 V\n0.788241 0.250000 0.296249 V\n0.711760 0.250000 0.796249 V\n0.211760 0.750000 0.703751 V\n0.779678 0.519722 0.184010 V\n0.279677 0.480277 0.315990 V\n0.220323 0.480277 0.815990 V\n0.220323 0.019723 0.815990 V\n0.761716 0.936958 0.031883 O\n0.738285 0.936958 0.531883 O\n0.238285 0.063042 0.968117 O\n0.261716 0.436958 0.468117 O\n0.761716 0.563042 0.031883 O\n0.261716 0.063042 0.468117 O\n0.953300 0.120045 0.730632 O\n0.302533 0.750000 0.045041 O\n0.453299 0.879955 0.769368 O\n0.046701 0.620045 0.269368 O\n0.546701 0.379955 0.230632 O\n0.046701 0.879955 0.269368 O\n0.546701 0.120045 0.230632 O\n0.953300 0.379955 0.730632 O\n0.453299 0.620045 0.769368 O\n0.479839 0.120097 0.724369 O\n0.238285 0.436958 0.968117 O\n0.979840 0.879902 0.775631 O\n0.020161 0.379902 0.224369 O\n0.520161 0.879902 0.275631 O\n0.020161 0.120097 0.224369 O\n0.479839 0.379902 0.724369 O\n0.979840 0.620097 0.775631 O\n0.197467 0.750000 0.545041 O\n0.697468 0.250000 0.954959 O\n0.802533 0.250000 0.454959 O\n0.520161 0.620097 0.275631 O\n0.738285 0.563042 0.531883 O\n",
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},
{
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"created_at": "2022-09-04T14:36:14.618998Z",
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"structure_string": "Zn4 P8 Pb4 O28\n1.0\n5.359748 0.000000 0.006153\n0.000000 8.327505 0.000000\n0.019718 0.000000 12.912677\nZn P Pb O\n4 8 4 28\ndirect\n0.169308 0.850620 0.894141 Zn\n0.830693 0.149379 0.105859 Zn\n0.669308 0.649379 0.394141 Zn\n0.330693 0.350621 0.605859 Zn\n0.750630 0.534309 0.162291 P\n0.678033 0.801085 0.018524 P\n0.178033 0.698915 0.518524 P\n0.749370 0.034309 0.337709 P\n0.249370 0.465691 0.837709 P\n0.250630 0.965691 0.662291 P\n0.321967 0.198915 0.981476 P\n0.821967 0.301085 0.481476 P\n0.790635 0.171564 0.779990 Pb\n0.290634 0.328436 0.279990 Pb\n0.209366 0.828435 0.220010 Pb\n0.709366 0.671564 0.720010 Pb\n0.396407 0.833136 0.022047 O\n0.103594 0.333136 0.477953 O\n0.603594 0.166863 0.977953 O\n0.896407 0.666863 0.522047 O\n0.720252 0.614068 0.048966 O\n0.779748 0.114069 0.451034 O\n0.021741 0.556947 0.195266 O\n0.796999 0.816656 0.910772 O\n0.478259 0.056948 0.304734 O\n0.978260 0.443052 0.804734 O\n0.521742 0.943052 0.695266 O\n0.672991 0.358783 0.151495 O\n0.827009 0.858782 0.348504 O\n0.327009 0.641217 0.848505 O\n0.172991 0.141217 0.651496 O\n0.566763 0.620356 0.235546 O\n0.220252 0.885931 0.548966 O\n0.933238 0.120357 0.264454 O\n0.066763 0.879643 0.735546 O\n0.817223 0.901152 0.100633 O\n0.682777 0.401152 0.399367 O\n0.182777 0.098848 0.899367 O\n0.317223 0.598847 0.600633 O\n0.296999 0.683343 0.410772 O\n0.203002 0.183344 0.089228 O\n0.703002 0.316656 0.589228 O\n0.433238 0.379643 0.764454 O\n0.279748 0.385931 0.951034 O\n",
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{
"id": "jvasp-99319",
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