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{
"id": "mp-1076410",
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"structure_string": "Sr4 Ca4 Mn2 Fe6 O24\n1.0\n7.734775 0.000000 0.000000\n0.000000 7.750333 0.000000\n0.000000 0.000163 7.750487\nSr Ca Mn Fe O\n4 4 2 6 24\ndirect\n0.500000 0.250157 0.250201 Sr\n0.500000 0.749844 0.250201 Sr\n0.000000 0.749818 0.250197 Sr\n0.000000 0.250164 0.749788 Sr\n0.500000 0.250168 0.749798 Ca\n0.500000 0.749835 0.749800 Ca\n0.000000 0.250171 0.250196 Ca\n0.000000 0.749844 0.749793 Ca\n0.249982 0.500005 0.500643 Mn\n0.750018 0.500005 0.500643 Mn\n0.249987 0.000007 0.999361 Fe\n0.249992 0.499991 0.999337 Fe\n0.249992 0.000007 0.500647 Fe\n0.750013 0.000007 0.999361 Fe\n0.750008 0.499991 0.999337 Fe\n0.750008 0.000007 0.500647 Fe\n0.500000 0.000009 0.997472 O\n0.500000 0.499990 0.997500 O\n0.500000 0.000006 0.502516 O\n0.500000 0.499989 0.502553 O\n0.000000 0.999994 0.999824 O\n0.000000 0.500007 0.999819 O\n0.000000 0.999996 0.500163 O\n0.000000 0.500008 0.500127 O\n0.248820 0.001168 0.249228 O\n0.248793 0.498806 0.252409 O\n0.251157 0.998844 0.750768 O\n0.251182 0.501176 0.747581 O\n0.751180 0.001168 0.249228 O\n0.751207 0.498806 0.252409 O\n0.748843 0.998844 0.750768 O\n0.748818 0.501176 0.747581 O\n0.250018 0.249243 0.999818 O\n0.249980 0.750752 0.997487 O\n0.250002 0.252432 0.500189 O\n0.249995 0.747569 0.502556 O\n0.749982 0.249243 0.999818 O\n0.750020 0.750752 0.997487 O\n0.749998 0.252432 0.500189 O\n0.750005 0.747569 0.502556 O\n",
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{
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"structure_string": "K4 Ga2 B10 H16 O28\n1.0\n4.847705 5.110414 0.000000\n-4.847705 5.110414 0.000000\n0.000000 0.000000 14.055484\nK Ga B H O\n4 2 10 16 28\ndirect\n0.081350 0.385912 0.133115 K\n0.614088 0.918650 0.866885 K\n0.918650 0.614088 0.633115 K\n0.385912 0.081350 0.366885 K\n0.136261 0.863739 0.000000 Ga\n0.863739 0.136261 0.500000 Ga\n0.763996 0.791009 0.080394 B\n0.208991 0.236004 0.919606 B\n0.236004 0.208991 0.580394 B\n0.791009 0.763996 0.419606 B\n0.699310 0.699310 0.250000 B\n0.300690 0.300690 0.750000 B\n0.770848 0.433355 0.367760 B\n0.566645 0.229152 0.632240 B\n0.229152 0.566645 0.867760 B\n0.433355 0.770848 0.132240 B\n0.151164 0.587483 0.329476 H\n0.412517 0.848836 0.670524 H\n0.848836 0.412517 0.829476 H\n0.587483 0.151164 0.170524 H\n0.356659 0.582591 0.290178 H\n0.417409 0.643341 0.709822 H\n0.643341 0.417409 0.790178 H\n0.582591 0.356659 0.209822 H\n0.943383 0.063477 0.286872 H\n0.936523 0.056617 0.713128 H\n0.056617 0.936523 0.786872 H\n0.063477 0.943383 0.213128 H\n0.701596 0.385268 0.953562 H\n0.614732 0.298404 0.046438 H\n0.298404 0.614732 0.453562 H\n0.385268 0.701596 0.546438 H\n0.879677 0.825187 0.006202 O\n0.174813 0.120323 0.993798 O\n0.120323 0.174813 0.506202 O\n0.825187 0.879677 0.493798 O\n0.566415 0.811952 0.062282 O\n0.188048 0.433585 0.937718 O\n0.433585 0.188048 0.562282 O\n0.811952 0.566415 0.437718 O\n0.825981 0.736902 0.169654 O\n0.263098 0.174019 0.830346 O\n0.174019 0.263098 0.669654 O\n0.736902 0.825981 0.330346 O\n0.727984 0.495087 0.276710 O\n0.504913 0.272016 0.723290 O\n0.272016 0.504913 0.776710 O\n0.495087 0.727984 0.223290 O\n0.772719 0.244440 0.387256 O\n0.755560 0.227281 0.612744 O\n0.227281 0.755560 0.887256 O\n0.244440 0.772719 0.112744 O\n0.267781 0.507750 0.329051 O\n0.492250 0.732219 0.670949 O\n0.732219 0.492250 0.829051 O\n0.507750 0.267781 0.170949 O\n0.061772 0.061772 0.250000 O\n0.938228 0.938228 0.750000 O\n0.718581 0.281419 0.000000 O\n0.281419 0.718581 0.500000 O\n",
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],
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"formula_full": "K4 Ga2 B10 H16 O28",
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"spacegroup": 20
},
{
"id": "mp-1218921",
"created_at": "2022-09-04T14:44:17.996582Z",
"structure_string": "Sn1 Sb1 O4\n1.0\n3.457532 -3.466689 0.000000\n3.457532 3.466689 0.000000\n0.000000 0.000000 3.328891\nSn Sb O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sb\n0.192012 0.192012 0.500000 O\n0.807988 0.807988 0.500000 O\n0.691357 0.308643 0.000000 O\n0.308643 0.691357 0.000000 O\n",
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"spacegroup": 65
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{
"id": "mp-981314",
"created_at": "2022-09-04T14:44:17.998478Z",
"structure_string": "Yb1 Lu1 Pd2\n1.0\n0.000000 3.448585 3.448585\n3.448585 0.000000 3.448585\n3.448585 3.448585 0.000000\nYb Lu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
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"density": 11.3537858469886,
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"updated_at": "2021-11-28T01:36:31.613000Z",
"spacegroup": 225
},
{
"id": "mp-1219043",
"created_at": "2022-09-04T14:44:18.001077Z",
"structure_string": "Sn4 Sb2 Se4 I6\n1.0\n2.173018 -7.500611 0.000000\n2.173018 7.500611 0.000000\n0.000000 0.000000 19.038439\nSn Sb Se I\n4 2 4 6\ndirect\n0.876835 0.123165 0.503270 Sn\n0.137378 0.862622 0.514818 Sn\n0.862622 0.137378 0.014818 Sn\n0.123165 0.876835 0.003270 Sn\n0.209382 0.790618 0.294994 Sb\n0.790618 0.209382 0.794994 Sb\n0.279978 0.720022 0.419088 Se\n0.723667 0.276333 0.580918 Se\n0.276333 0.723667 0.080918 Se\n0.720022 0.279978 0.919088 Se\n0.573473 0.426527 0.342799 I\n0.445287 0.554713 0.608972 I\n0.554713 0.445287 0.108972 I\n0.426527 0.573473 0.842799 I\n0.841566 0.158434 0.251240 I\n0.158434 0.841566 0.751240 I\n",
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"elements": [
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"volume": 620.6136147874507,
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{
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{
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"structure_string": "Li8 Ni8 P8 O32\n1.0\n4.944531 0.000000 0.000000\n0.000000 8.141345 0.000000\n0.000000 0.000000 17.975351\nLi Ni P O\n8 8 8 32\ndirect\n0.472007 0.627274 0.260745 Li\n0.567510 0.585632 0.056244 Li\n0.067510 0.914368 0.556244 Li\n0.972007 0.872726 0.760745 Li\n0.472007 0.127274 0.239255 Li\n0.567510 0.085632 0.443756 Li\n0.067510 0.414368 0.943756 Li\n0.972007 0.372726 0.739255 Li\n0.968065 0.511088 0.431801 Ni\n0.473475 0.650823 0.846422 Ni\n0.973475 0.849177 0.346422 Ni\n0.468065 0.988912 0.931801 Ni\n0.968065 0.011088 0.068199 Ni\n0.473475 0.150823 0.653578 Ni\n0.973475 0.349177 0.153578 Ni\n0.468065 0.488912 0.568199 Ni\n0.937770 0.700035 0.182231 P\n0.436811 0.734568 0.431168 P\n0.936811 0.765432 0.931168 P\n0.437770 0.799965 0.682231 P\n0.937770 0.200035 0.317769 P\n0.436811 0.234568 0.068832 P\n0.936811 0.265432 0.568832 P\n0.437770 0.299965 0.817769 P\n0.775109 0.553144 0.146555 O\n0.326679 0.580095 0.473845 O\n0.841164 0.607214 0.968133 O\n0.360299 0.642998 0.639689 O\n0.237715 0.657340 0.179981 O\n0.753536 0.722935 0.428470 O\n0.827864 0.719352 0.263037 O\n0.813163 0.782600 0.851914 O\n0.313163 0.717400 0.351914 O\n0.327864 0.780648 0.763037 O\n0.253536 0.777065 0.928470 O\n0.737715 0.842660 0.679981 O\n0.860299 0.857002 0.139689 O\n0.341164 0.892786 0.468133 O\n0.826679 0.919905 0.973845 O\n0.275109 0.946856 0.646555 O\n0.775109 0.053144 0.353445 O\n0.326679 0.080095 0.026155 O\n0.841164 0.107214 0.531867 O\n0.360299 0.142998 0.860311 O\n0.237715 0.157340 0.320019 O\n0.753536 0.222935 0.071530 O\n0.827864 0.219352 0.236963 O\n0.813163 0.282600 0.648086 O\n0.313163 0.217400 0.148086 O\n0.327864 0.280648 0.736963 O\n0.253536 0.277065 0.571530 O\n0.737715 0.342660 0.820019 O\n0.860299 0.357002 0.360311 O\n0.341164 0.392786 0.031867 O\n0.826679 0.419905 0.526155 O\n0.275109 0.446856 0.853445 O\n",
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{
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"created_at": "2022-09-04T14:44:18.125060Z",
"structure_string": "Na4 Y2 Ir3 O12\n1.0\n4.740171 -8.210216 0.000000\n4.740171 8.210216 0.000000\n0.000000 0.000000 3.208925\nNa Y Ir O\n4 2 3 12\ndirect\n0.000000 0.000000 0.000000 Na\n0.698556 0.000000 0.500000 Na\n0.000000 0.698556 0.500000 Na\n0.301444 0.301444 0.500000 Na\n0.333333 0.666667 0.500000 Y\n0.666667 0.333333 0.500000 Y\n0.330198 0.000000 0.000000 Ir\n0.000000 0.330198 0.000000 Ir\n0.669802 0.669802 0.000000 Ir\n0.196878 0.000000 0.500000 O\n0.000000 0.196878 0.500000 O\n0.803122 0.803122 0.500000 O\n0.456453 0.000000 0.500000 O\n0.000000 0.456453 0.500000 O\n0.543547 0.543547 0.500000 O\n0.242997 0.459902 0.000000 O\n0.540098 0.783095 0.000000 O\n0.459902 0.242997 0.000000 O\n0.216905 0.757003 0.000000 O\n0.783095 0.540098 0.000000 O\n0.757003 0.216905 0.000000 O\n",
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{
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"structure_string": "La11 Mn12 O36\n1.0\n8.366469 4.830182 0.000000\n-8.366469 4.830182 0.000000\n0.000000 3.220767 8.974075\nLa Mn O\n11 12 36\ndirect\n0.206327 0.281373 0.259475 La\n0.045589 0.469230 0.741106 La\n0.791627 0.208373 0.500000 La\n0.879434 0.630281 0.257040 La\n0.530770 0.954411 0.258894 La\n0.958704 0.041296 0.000000 La\n0.718627 0.793673 0.740525 La\n0.458462 0.541538 0.500000 La\n0.291130 0.708870 0.000000 La\n0.625121 0.374879 0.000000 La\n0.369719 0.120566 0.742960 La\n0.167685 0.585972 0.375230 Mn\n0.084374 0.164927 0.624747 Mn\n0.835073 0.915626 0.375253 Mn\n0.916298 0.333011 0.125678 Mn\n0.001367 0.751089 0.871578 Mn\n0.666989 0.083702 0.874322 Mn\n0.752416 0.503254 0.624259 Mn\n0.414028 0.832315 0.624770 Mn\n0.496746 0.247584 0.375741 Mn\n0.584023 0.667411 0.123326 Mn\n0.332589 0.415977 0.876674 Mn\n0.248911 0.998633 0.128422 Mn\n0.174815 0.764681 0.234483 O\n0.061849 0.432558 0.251994 O\n0.235319 0.825185 0.765517 O\n0.162428 0.393657 0.499652 O\n0.053571 0.002413 0.234627 O\n0.732948 0.336492 0.251651 O\n0.937009 0.498108 0.499613 O\n0.828127 0.104407 0.252564 O\n0.227851 0.272195 0.751487 O\n0.878203 0.588867 0.764788 O\n0.936644 0.063356 0.500000 O\n0.411133 0.121797 0.235212 O\n0.727805 0.772149 0.248513 O\n0.998047 0.559257 0.001994 O\n0.895593 0.171873 0.747436 O\n0.807846 0.716606 0.499878 O\n0.501892 0.062991 0.500387 O\n0.396555 0.664904 0.249314 O\n0.102835 0.333711 0.001064 O\n0.997587 0.946429 0.765373 O\n0.663508 0.267052 0.748349 O\n0.606343 0.837572 0.500348 O\n0.503047 0.439682 0.248747 O\n0.770872 0.229128 0.000000 O\n0.105740 0.894260 0.000000 O\n0.567442 0.938151 0.748006 O\n0.606700 0.393300 0.500000 O\n0.283487 0.716513 0.500000 O\n0.666289 0.897165 0.998936 O\n0.560318 0.496953 0.751253 O\n0.440743 0.001953 0.998006 O\n0.771387 0.668829 0.000787 O\n0.335096 0.603445 0.750686 O\n0.283394 0.192154 0.500122 O\n0.438473 0.561527 0.000000 O\n0.331171 0.228613 0.999213 O\n",
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{
"id": "mp-1228883",
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"structure_string": "Ba8 Pb4 S12 O48\n1.0\n5.547517 0.000000 0.000000\n0.000000 7.213503 0.000000\n0.000000 0.140779 26.661498\nBa Pb S O\n8 4 12 48\ndirect\n0.500000 0.841353 0.395180 Ba\n0.500000 0.841296 0.728543 Ba\n0.000000 0.341282 0.105258 Ba\n0.000000 0.341780 0.439091 Ba\n0.000000 0.341730 0.772468 Ba\n0.000000 0.158464 0.271373 Ba\n0.000000 0.158749 0.605007 Ba\n0.000000 0.158670 0.938906 Ba\n0.500000 0.667397 0.229331 Pb\n0.500000 0.666712 0.563025 Pb\n0.500000 0.666313 0.896859 Pb\n0.500000 0.832801 0.063232 Pb\n0.000000 0.686546 0.310756 S\n0.000000 0.686666 0.644160 S\n0.000000 0.686873 0.978983 S\n0.000000 0.813189 0.145593 S\n0.000000 0.810747 0.480492 S\n0.000000 0.810701 0.813915 S\n0.500000 0.312528 0.020611 S\n0.500000 0.312122 0.353791 S\n0.500000 0.312042 0.687172 S\n0.500000 0.187473 0.187209 S\n0.500000 0.188963 0.521057 S\n0.500000 0.188899 0.854450 S\n0.000000 0.546587 0.270203 O\n0.000000 0.546710 0.603605 O\n0.000000 0.550898 0.937285 O\n0.000000 0.949766 0.103646 O\n0.000000 0.945981 0.437945 O\n0.000000 0.945964 0.771351 O\n0.500000 0.455849 0.061255 O\n0.500000 0.450764 0.395058 O\n0.500000 0.450720 0.728404 O\n0.500000 0.043713 0.228110 O\n0.500000 0.044887 0.561737 O\n0.500000 0.044636 0.895100 O\n0.220512 0.808235 0.304693 O\n0.220473 0.808347 0.638119 O\n0.221610 0.808796 0.973825 O\n0.778375 0.691261 0.140485 O\n0.779841 0.688727 0.475906 O\n0.779791 0.688737 0.809317 O\n0.718306 0.190967 0.026888 O\n0.718731 0.190087 0.359386 O\n0.718704 0.190009 0.692767 O\n0.281715 0.308879 0.193337 O\n0.281536 0.310030 0.526997 O\n0.281484 0.310007 0.860446 O\n0.281694 0.190967 0.026888 O\n0.281269 0.190087 0.359386 O\n0.281296 0.190009 0.692767 O\n0.718285 0.308879 0.193337 O\n0.718464 0.310030 0.526997 O\n0.718516 0.310007 0.860446 O\n0.779488 0.808235 0.304693 O\n0.779527 0.808347 0.638119 O\n0.778390 0.808796 0.973825 O\n0.221625 0.691261 0.140485 O\n0.220159 0.688727 0.475906 O\n0.220209 0.688737 0.809317 O\n0.000000 0.599505 0.029175 O\n0.000000 0.604474 0.361725 O\n0.000000 0.604452 0.695105 O\n0.000000 0.899752 0.195563 O\n0.000000 0.902326 0.529744 O\n0.000000 0.902383 0.863193 O\n0.500000 0.399761 0.303396 O\n0.500000 0.399606 0.636757 O\n0.500000 0.397513 0.969867 O\n0.500000 0.102852 0.136641 O\n0.500000 0.104596 0.470487 O\n0.500000 0.104841 0.803854 O\n",
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{
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"structure_string": "Ta10 Se1 S3\n1.0\n3.332833 0.000000 0.000000\n0.000000 3.332833 0.000000\n0.000000 0.000000 22.160897\nTa Se S\n10 1 3\ndirect\n0.500000 0.500000 0.348131 Ta\n0.000000 0.000000 0.847684 Ta\n0.000000 0.000000 0.147270 Ta\n0.500000 0.500000 0.652092 Ta\n0.500000 0.500000 0.071493 Ta\n0.000000 0.000000 0.573734 Ta\n0.000000 0.000000 0.426749 Ta\n0.500000 0.500000 0.925390 Ta\n0.000000 0.000000 0.998268 Ta\n0.500000 0.500000 0.500293 Ta\n0.500000 0.500000 0.203306 Se\n0.000000 0.000000 0.697041 S\n0.000000 0.000000 0.305712 S\n0.500000 0.500000 0.802837 S\n",
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}