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{
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{
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"formula_full": "Ca2 P2 H8 O10 F2",
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{
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"created_at": "2022-09-04T14:40:25.206941Z",
"structure_string": "Ba4 V4 Zn2 Cu2 F28\n1.0\n2.645633 7.121583 0.000000\n-2.645633 7.121583 0.000000\n0.000000 0.433294 14.811641\nBa V Zn Cu F\n4 4 2 2 28\ndirect\n0.101825 0.266706 0.876494 Ba\n0.266706 0.101825 0.376494 Ba\n0.898175 0.733294 0.123506 Ba\n0.733294 0.898175 0.623506 Ba\n0.100346 0.139380 0.626352 V\n0.899654 0.860620 0.373648 V\n0.139380 0.100346 0.126352 V\n0.860620 0.899654 0.873648 V\n0.440959 0.559041 0.750000 Zn\n0.559041 0.440959 0.250000 Zn\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.886456 0.106407 0.163658 F\n0.870819 0.413504 0.045346 F\n0.129181 0.586496 0.954654 F\n0.637516 0.867888 0.903698 F\n0.607242 0.488228 0.877482 F\n0.511772 0.392758 0.622518 F\n0.413504 0.870819 0.545346 F\n0.893593 0.113544 0.336342 F\n0.358981 0.981528 0.723951 F\n0.362484 0.132112 0.096302 F\n0.800314 0.421550 0.712575 F\n0.132112 0.362484 0.596302 F\n0.421550 0.800314 0.212575 F\n0.199686 0.578450 0.287425 F\n0.488228 0.607242 0.377482 F\n0.641019 0.018472 0.276049 F\n0.121325 0.723758 0.486492 F\n0.113544 0.893593 0.836342 F\n0.878675 0.276242 0.513508 F\n0.723758 0.121325 0.986492 F\n0.586496 0.129181 0.454654 F\n0.578450 0.199686 0.787425 F\n0.981528 0.358981 0.223951 F\n0.276242 0.878675 0.013508 F\n0.392758 0.511772 0.122518 F\n0.106407 0.886456 0.663658 F\n0.018472 0.641019 0.776049 F\n0.867888 0.637516 0.403698 F\n",
"nsites": 40,
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"formula_full": "Ba4 V4 Zn2 Cu2 F28",
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{
"id": "mp-1079649",
"created_at": "2022-09-04T14:40:25.206403Z",
"structure_string": "Si8\n1.0\n2.577344 -4.375222 0.000000\n2.577344 4.375222 0.000000\n0.000000 0.000000 5.183067\nSi\n8\ndirect\n0.344380 0.344380 0.825870 Si\n0.655620 0.655620 0.174130 Si\n0.155620 0.155620 0.325870 Si\n0.844380 0.844380 0.674130 Si\n0.705715 0.294285 0.500000 Si\n0.205715 0.794285 0.000000 Si\n0.294285 0.705715 0.500000 Si\n0.794285 0.205715 0.000000 Si\n",
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"volume": 116.89321424262552,
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"formula_full": "Si8",
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"updated_at": "2021-11-28T01:35:06.062000Z",
"spacegroup": 64
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{
"id": "mp-19043",
"created_at": "2022-09-04T14:40:25.204313Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n4.421377 4.933371 0.000000\n-4.421377 4.933371 0.000000\n0.000000 1.935443 5.004883\nLi V Si O\n2 2 4 12\ndirect\n0.743628 0.256372 0.750000 Li\n0.256372 0.743628 0.250000 Li\n0.097859 0.902141 0.750000 V\n0.902141 0.097859 0.250000 V\n0.208405 0.387139 0.730819 Si\n0.791595 0.612861 0.269181 Si\n0.387139 0.208405 0.230819 Si\n0.612861 0.791595 0.769181 Si\n0.202693 0.032009 0.350887 O\n0.641155 0.649685 0.066067 O\n0.350315 0.358845 0.433933 O\n0.358845 0.350315 0.933933 O\n0.649685 0.641155 0.566067 O\n0.884862 0.374273 0.333130 O\n0.797307 0.967991 0.649113 O\n0.032009 0.202693 0.850887 O\n0.625727 0.115138 0.166870 O\n0.115138 0.625727 0.666870 O\n0.374273 0.884862 0.833130 O\n0.967991 0.797307 0.149113 O\n",
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{
"id": "mp-1346936",
"created_at": "2022-09-04T14:40:25.200898Z",
"structure_string": "Ca4 Co4 F20\n1.0\n10.091177 0.000000 0.000000\n0.000000 5.575592 0.000000\n0.000000 2.618975 7.209665\nCa Co F\n4 4 20\ndirect\n0.020583 0.529393 0.743655 Ca\n0.520583 0.470607 0.756345 Ca\n0.979417 0.470607 0.256345 Ca\n0.479417 0.529393 0.243655 Ca\n0.753515 0.106562 0.599308 Co\n0.253515 0.893438 0.900692 Co\n0.246485 0.893438 0.400692 Co\n0.746485 0.106562 0.099308 Co\n0.882033 0.388149 0.555844 F\n0.382033 0.611851 0.944156 F\n0.117967 0.611851 0.444156 F\n0.617967 0.388149 0.055844 F\n0.614223 0.354559 0.506430 F\n0.114223 0.645441 0.993570 F\n0.385777 0.645441 0.493570 F\n0.885777 0.354559 0.006430 F\n0.392475 0.118361 0.811733 F\n0.892475 0.881639 0.688267 F\n0.607525 0.881639 0.188267 F\n0.107525 0.118361 0.311733 F\n0.137754 0.170672 0.859412 F\n0.637754 0.829328 0.640588 F\n0.862246 0.829328 0.140588 F\n0.362246 0.170672 0.359412 F\n0.701631 0.154926 0.836696 F\n0.201631 0.845074 0.663304 F\n0.298369 0.845074 0.163304 F\n0.798369 0.154926 0.336696 F\n",
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{
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"structure_string": "Y8 Zr8 O24\n1.0\n5.203092 7.406466 0.000000\n-5.203092 7.406466 0.000000\n0.000000 7.362267 7.413181\nY Zr O\n8 8 24\ndirect\n0.718118 0.238742 0.757724 Y\n0.761258 0.281882 0.242276 Y\n0.219701 0.739109 0.282592 Y\n0.527185 0.472815 0.000000 Y\n0.023834 0.976166 0.000000 Y\n0.740590 0.721797 0.539291 Y\n0.278203 0.259410 0.460709 Y\n0.260891 0.780299 0.717408 Y\n0.502846 0.018130 0.718207 Zr\n0.779346 0.762021 0.999537 Zr\n0.237979 0.220654 0.000463 Zr\n0.491680 0.508320 0.500000 Zr\n0.990006 0.009994 0.500000 Zr\n0.478962 0.993890 0.239406 Zr\n0.006110 0.521038 0.760594 Zr\n0.981870 0.497154 0.281793 Zr\n0.982015 0.253955 0.517963 O\n0.453496 0.247488 0.009796 O\n0.742536 0.515454 0.277603 O\n0.484546 0.257464 0.722397 O\n0.242873 0.006880 0.465788 O\n0.993823 0.238744 0.993067 O\n0.227338 0.474325 0.542150 O\n0.041326 0.282947 0.217009 O\n0.717053 0.958674 0.782991 O\n0.238141 0.504482 0.782545 O\n0.495518 0.761859 0.217455 O\n0.746045 0.017985 0.482037 O\n0.790264 0.455695 0.759812 O\n0.544305 0.209736 0.240188 O\n0.280129 0.975908 0.000677 O\n0.752512 0.546504 0.990204 O\n0.253230 0.034558 0.724882 O\n0.965442 0.746770 0.275118 O\n0.993120 0.757127 0.534212 O\n0.761256 0.006177 0.006933 O\n0.260221 0.513535 0.217209 O\n0.486465 0.739779 0.782791 O\n0.525675 0.772662 0.457850 O\n0.024092 0.719871 0.999323 O\n",
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{
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"structure_string": "Li9 Mn7 O16\n1.0\n5.753407 5.273190 0.000000\n-5.753407 5.273190 0.000000\n0.000000 2.110896 4.905610\nLi Mn O\n9 7 16\ndirect\n0.758238 0.758238 0.990534 Li\n0.241762 0.241762 0.009466 Li\n0.872314 0.626804 0.492942 Li\n0.373196 0.127686 0.507058 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.127686 0.373196 0.507058 Li\n0.626804 0.872314 0.492942 Li\n0.000000 0.000000 0.500000 Li\n0.875537 0.124463 0.000000 Mn\n0.124463 0.875537 0.000000 Mn\n0.374333 0.625667 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.625667 0.374333 0.000000 Mn\n0.246448 0.753552 0.500000 Mn\n0.753552 0.246448 0.500000 Mn\n0.884074 0.884074 0.218948 O\n0.379377 0.379377 0.223078 O\n0.025605 0.764854 0.766559 O\n0.509104 0.259270 0.724181 O\n0.131624 0.633894 0.225606 O\n0.633894 0.131624 0.225606 O\n0.259270 0.509104 0.724181 O\n0.764854 0.025605 0.766559 O\n0.620623 0.620623 0.776922 O\n0.115926 0.115926 0.781052 O\n0.740730 0.490896 0.275819 O\n0.235146 0.974395 0.233441 O\n0.868376 0.366106 0.774394 O\n0.366106 0.868376 0.774394 O\n0.974395 0.235146 0.233441 O\n0.490896 0.740730 0.275819 O\n",
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"formula_full": "Li9 Mn7 O16",
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{
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{
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}