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{
"id": "mp-778031",
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"structure_string": "Li12 V4 B8 O24\n1.0\n2.430312 -0.120320 7.707392\n6.650136 5.053025 -0.051576\n-6.673180 5.083982 -0.074726\nLi V B O\n12 4 8 24\ndirect\n0.115852 0.545933 0.293876 Li\n0.115851 0.045780 0.793738 Li\n0.884145 0.454223 0.706261 Li\n0.884147 0.954067 0.206124 Li\n0.424974 0.532487 0.132963 Li\n0.425069 0.032626 0.632837 Li\n0.574934 0.467375 0.867162 Li\n0.575028 0.967515 0.367037 Li\n0.727894 0.661274 0.187917 Li\n0.728041 0.161405 0.687871 Li\n0.271955 0.338596 0.812133 Li\n0.272102 0.838726 0.312087 Li\n0.780727 0.845869 0.793001 V\n0.219284 0.654127 0.707001 V\n0.780999 0.345774 0.293110 V\n0.219007 0.154223 0.206889 V\n0.596820 0.172611 0.987985 B\n0.596846 0.672662 0.488003 B\n0.403153 0.827336 0.011996 B\n0.403180 0.327388 0.512014 B\n0.076529 0.667747 0.998645 B\n0.076593 0.167653 0.498800 B\n0.923406 0.332347 0.001200 B\n0.923471 0.832254 0.501357 B\n0.289676 0.854665 0.860183 O\n0.289607 0.354591 0.360253 O\n0.710391 0.145410 0.139747 O\n0.710320 0.645336 0.639819 O\n0.072547 0.208937 0.001324 O\n0.072540 0.708956 0.501568 O\n0.927460 0.791046 0.998436 O\n0.927450 0.291062 0.498679 O\n0.611635 0.546613 0.341363 O\n0.611426 0.046407 0.841292 O\n0.388579 0.453592 0.658708 O\n0.388370 0.953385 0.158636 O\n0.483665 0.319021 0.981334 O\n0.483761 0.819061 0.481488 O\n0.516235 0.680935 0.018508 O\n0.516332 0.180976 0.518663 O\n0.188966 0.646244 0.144520 O\n0.189042 0.146119 0.644501 O\n0.810959 0.353879 0.855498 O\n0.811035 0.853758 0.355481 O\n0.897215 0.434147 0.161835 O\n0.897066 0.934173 0.661841 O\n0.102932 0.565831 0.838158 O\n0.102783 0.065857 0.338163 O\n",
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},
{
"id": "mp-1100362",
"created_at": "2022-09-04T14:44:30.577315Z",
"structure_string": "Ca12 Sn8 S28\n1.0\n2.653260 -5.952894 0.000000\n-13.175990 -5.872661 0.000000\n5.261365 5.912778 -13.915902\nCa Sn S\n12 8 28\ndirect\n0.500000 0.506597 0.000000 Ca\n0.000000 0.006597 0.000000 Ca\n0.258053 0.973716 0.500000 Ca\n0.741947 0.473716 0.500000 Ca\n0.332779 0.321736 0.658340 Ca\n0.667221 0.663396 0.341660 Ca\n0.174439 0.163396 0.341660 Ca\n0.825561 0.821736 0.658340 Ca\n0.894099 0.166836 0.786438 Ca\n0.105901 0.380398 0.213562 Ca\n0.607661 0.880398 0.213562 Ca\n0.392339 0.666836 0.786438 Ca\n0.676844 0.155807 0.500000 Sn\n0.323156 0.655807 0.500000 Sn\n0.332390 0.978868 0.788298 Sn\n0.667610 0.190570 0.211702 Sn\n0.044091 0.690570 0.211702 Sn\n0.955909 0.478868 0.788298 Sn\n0.500000 0.266240 0.000000 Sn\n0.000000 0.766240 0.000000 Sn\n0.573606 0.146213 0.633211 S\n0.426394 0.513002 0.366789 S\n0.440396 0.013002 0.366789 S\n0.559604 0.646213 0.633211 S\n0.507678 0.306487 0.500000 S\n0.492322 0.806487 0.500000 S\n0.042853 0.152165 0.500000 S\n0.957147 0.652165 0.500000 S\n0.088200 0.988365 0.657021 S\n0.911800 0.331344 0.342979 S\n0.931178 0.831344 0.342979 S\n0.068822 0.488365 0.657021 S\n0.139564 0.344041 0.809469 S\n0.860436 0.534572 0.190531 S\n0.830096 0.034572 0.190531 S\n0.169904 0.844041 0.809469 S\n0.209541 0.124890 0.921443 S\n0.790459 0.203447 0.078557 S\n0.788099 0.703447 0.078557 S\n0.211901 0.624890 0.921443 S\n0.703787 0.001830 0.810360 S\n0.296213 0.191470 0.189640 S\n0.393428 0.691470 0.189640 S\n0.606572 0.501830 0.810360 S\n0.658239 0.313873 0.903137 S\n0.341761 0.410736 0.096863 S\n0.255102 0.910736 0.096863 S\n0.744898 0.813873 0.903137 S\n",
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"spacegroup": 46
},
{
"id": "mp-1228475",
"created_at": "2022-09-04T14:44:26.881412Z",
"structure_string": "Ba10 Mn2 Co8 O28\n1.0\n5.789929 0.000000 0.000000\n0.000000 10.016607 0.000000\n0.000000 0.011104 12.089678\nBa Mn Co O\n10 2 8 28\ndirect\n0.750000 0.748647 0.998813 Ba\n0.250000 0.251353 0.001187 Ba\n0.750000 0.081793 0.577696 Ba\n0.250000 0.584821 0.578494 Ba\n0.250000 0.918207 0.422304 Ba\n0.750000 0.415179 0.421506 Ba\n0.750000 0.086662 0.230408 Ba\n0.250000 0.579871 0.228721 Ba\n0.250000 0.913338 0.769592 Ba\n0.750000 0.420129 0.771279 Ba\n0.250000 0.250210 0.706030 Mn\n0.750000 0.749790 0.293970 Mn\n0.750000 0.085034 0.861708 Co\n0.250000 0.581986 0.863376 Co\n0.250000 0.914966 0.138292 Co\n0.750000 0.418014 0.136624 Co\n0.750000 0.749035 0.702514 Co\n0.250000 0.250965 0.297486 Co\n0.750000 0.750180 0.501329 Co\n0.250000 0.249820 0.498671 Co\n0.005667 0.169116 0.804388 O\n0.504190 0.667620 0.807520 O\n0.494333 0.169116 0.804388 O\n0.995810 0.667620 0.807520 O\n0.750000 0.917379 0.808183 O\n0.250000 0.411738 0.804068 O\n0.994333 0.830884 0.195612 O\n0.495810 0.332380 0.192480 O\n0.505667 0.830884 0.195612 O\n0.004190 0.332380 0.192480 O\n0.250000 0.082621 0.191817 O\n0.750000 0.588262 0.195932 O\n0.750000 0.085187 0.005419 O\n0.250000 0.581481 0.007418 O\n0.250000 0.914813 0.994581 O\n0.750000 0.418519 0.992582 O\n0.025271 0.175377 0.400183 O\n0.529546 0.676387 0.395357 O\n0.474729 0.175377 0.400183 O\n0.970454 0.676387 0.395357 O\n0.750000 0.896499 0.395157 O\n0.250000 0.402071 0.401877 O\n0.974729 0.824623 0.599817 O\n0.470454 0.323613 0.604643 O\n0.525271 0.824623 0.599817 O\n0.029546 0.323613 0.604643 O\n0.250000 0.103501 0.604843 O\n0.750000 0.597929 0.598123 O\n",
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"formula_full": "Ba10 Mn2 Co8 O28",
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{
"id": "mp-559489",
"created_at": "2022-09-04T14:45:04.919360Z",
"structure_string": "K8 Zr4 Si8 O28\n1.0\n5.645163 0.000000 0.000000\n0.000000 9.707978 0.000000\n0.000000 6.487527 12.806148\nK Zr Si O\n8 4 8 28\ndirect\n0.753633 0.036974 0.571380 K\n0.243135 0.516658 0.598470 K\n0.253633 0.963026 0.928620 K\n0.746367 0.036974 0.071380 K\n0.246367 0.963026 0.428620 K\n0.756865 0.483342 0.401530 K\n0.743135 0.483342 0.901530 K\n0.256865 0.516658 0.098470 K\n0.243425 0.765156 0.229633 Zr\n0.743425 0.234844 0.270367 Zr\n0.756575 0.234844 0.770367 Zr\n0.256575 0.765156 0.729633 Zr\n0.736435 0.825386 0.370667 Si\n0.763565 0.825386 0.870667 Si\n0.236435 0.174614 0.129333 Si\n0.263565 0.174614 0.629333 Si\n0.748365 0.664403 0.613730 Si\n0.751635 0.664403 0.113730 Si\n0.251635 0.335597 0.386270 Si\n0.248365 0.335597 0.886270 Si\n0.782480 0.685579 0.492157 O\n0.003569 0.742656 0.119717 O\n0.474786 0.251741 0.862479 O\n0.250680 0.008012 0.127732 O\n0.525214 0.748259 0.137521 O\n0.496431 0.742656 0.619717 O\n0.025214 0.251741 0.362479 O\n0.249320 0.008012 0.627732 O\n0.745761 0.476975 0.185053 O\n0.282480 0.314421 0.007843 O\n0.503569 0.257344 0.380283 O\n0.974786 0.748259 0.637521 O\n0.948080 0.797748 0.303733 O\n0.254239 0.523025 0.814947 O\n0.217520 0.314421 0.507843 O\n0.754239 0.476975 0.685053 O\n0.976095 0.209027 0.164532 O\n0.051920 0.202252 0.696267 O\n0.476095 0.790973 0.335468 O\n0.749320 0.991988 0.872268 O\n0.245761 0.523025 0.314947 O\n0.750680 0.991988 0.372268 O\n0.717520 0.685579 0.992157 O\n0.023905 0.790973 0.835468 O\n0.523905 0.209027 0.664532 O\n0.551920 0.797748 0.803733 O\n0.996431 0.257344 0.880283 O\n0.448080 0.202252 0.196267 O\n",
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{
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"structure_string": "Ca10 Ta8 O30\n1.0\n2.768615 -4.795382 0.000000\n2.768615 4.795382 0.000000\n0.000000 0.000000 23.455478\nCa Ta O\n10 8 30\ndirect\n0.333333 0.666667 0.231004 Ca\n0.333333 0.666667 0.381260 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.731004 Ca\n0.333333 0.666667 0.881260 Ca\n0.666667 0.333333 0.118740 Ca\n0.666667 0.333333 0.268996 Ca\n0.666667 0.333333 0.618740 Ca\n0.666667 0.333333 0.768996 Ca\n0.333333 0.666667 0.052233 Ta\n0.000000 0.000000 0.156511 Ta\n0.000000 0.000000 0.343489 Ta\n0.000000 0.000000 0.656511 Ta\n0.000000 0.000000 0.843489 Ta\n0.333333 0.666667 0.552233 Ta\n0.666667 0.333333 0.447767 Ta\n0.666667 0.333333 0.947767 Ta\n0.077990 0.739987 0.806575 O\n0.099933 0.776533 0.095958 O\n0.223467 0.900067 0.595958 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.260013 0.922010 0.306575 O\n0.077990 0.338003 0.306575 O\n0.099933 0.323400 0.595958 O\n0.223467 0.323400 0.095958 O\n0.260013 0.338003 0.806575 O\n0.338003 0.260013 0.693425 O\n0.661997 0.922010 0.806575 O\n0.323400 0.223467 0.404042 O\n0.323400 0.099933 0.904042 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.676600 0.900067 0.095958 O\n0.676600 0.776533 0.595958 O\n0.338003 0.077990 0.193425 O\n0.661997 0.739987 0.306575 O\n0.739987 0.661997 0.193425 O\n0.776533 0.676600 0.904042 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.900067 0.676600 0.404042 O\n0.922010 0.661997 0.693425 O\n0.739987 0.077990 0.693425 O\n0.776533 0.099933 0.404042 O\n0.900067 0.223467 0.904042 O\n0.922010 0.260013 0.193425 O\n",
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{
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"structure_string": "U4 Se4 O40\n1.0\n5.172916 7.909969 0.000000\n-5.172916 7.909969 0.000000\n0.000000 6.645708 10.625576\nU Se O\n4 4 40\ndirect\n0.980235 0.663833 0.247319 U\n0.336167 0.019765 0.252681 U\n0.019765 0.336167 0.752681 U\n0.663833 0.980235 0.747319 U\n0.772384 0.377641 0.564613 Se\n0.622359 0.227616 0.935387 Se\n0.227616 0.622359 0.435387 Se\n0.377641 0.772384 0.064613 Se\n0.881927 0.434635 0.411077 O\n0.565365 0.118073 0.088923 O\n0.118073 0.565365 0.588923 O\n0.434635 0.881927 0.911077 O\n0.835459 0.434265 0.643844 O\n0.565735 0.164541 0.856156 O\n0.164541 0.565735 0.356156 O\n0.434265 0.835459 0.143844 O\n0.575564 0.458321 0.590931 O\n0.541679 0.424436 0.909069 O\n0.424436 0.541679 0.409069 O\n0.458321 0.575564 0.090931 O\n0.819243 0.170468 0.614464 O\n0.829532 0.180757 0.885536 O\n0.180757 0.829532 0.385536 O\n0.170468 0.819243 0.114464 O\n0.854129 0.777408 0.357424 O\n0.222592 0.145871 0.142576 O\n0.145871 0.222592 0.642576 O\n0.777408 0.854129 0.857424 O\n0.104844 0.513193 0.166559 O\n0.486807 0.895156 0.333441 O\n0.895156 0.486807 0.833441 O\n0.513193 0.104844 0.666559 O\n0.743051 0.485436 0.223762 O\n0.514564 0.256949 0.276238 O\n0.256949 0.514564 0.776238 O\n0.485436 0.743051 0.723762 O\n0.876229 0.768449 0.122860 O\n0.231551 0.123771 0.377140 O\n0.123771 0.231551 0.877140 O\n0.768449 0.876229 0.622860 O\n0.803692 0.202856 0.199019 O\n0.797144 0.196308 0.300981 O\n0.196308 0.797144 0.800981 O\n0.202856 0.803692 0.699019 O\n0.762602 0.482825 0.121851 O\n0.517175 0.237398 0.378149 O\n0.237398 0.517175 0.878149 O\n0.482825 0.762602 0.621851 O\n",
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{
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