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{
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"spacegroup": 61
},
{
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"created_at": "2022-09-04T14:43:06.420287Z",
"structure_string": "Ba2 Zr2 F12\n1.0\n3.891183 -5.768594 0.000000\n3.891183 5.768594 0.000000\n0.000000 0.000000 5.613543\nBa Zr F\n2 2 12\ndirect\n0.250000 0.750000 0.555598 Ba\n0.750000 0.250000 0.444402 Ba\n0.750000 0.750000 0.000000 Zr\n0.250000 0.250000 0.000000 Zr\n0.181327 0.431940 0.250466 F\n0.318673 0.068060 0.250466 F\n0.431940 0.181327 0.749534 F\n0.068060 0.318673 0.749534 F\n0.570103 0.429897 0.149930 F\n0.929897 0.070103 0.149930 F\n0.429897 0.570103 0.850070 F\n0.070103 0.929897 0.850070 F\n0.931940 0.681327 0.250466 F\n0.568060 0.818673 0.250466 F\n0.681327 0.931940 0.749534 F\n0.818673 0.568060 0.749534 F\n",
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{
"id": "mp-1439",
"created_at": "2022-09-04T14:43:10.731971Z",
"structure_string": "Ti4 O8\n1.0\n4.585388 0.000000 0.000000\n0.000000 4.935035 0.000000\n0.000000 0.000000 5.581171\nTi O\n4 8\ndirect\n0.500000 0.750000 0.676524 Ti\n0.000000 0.250000 0.823476 Ti\n0.500000 0.250000 0.323476 Ti\n0.000000 0.750000 0.176524 Ti\n0.728683 0.081255 0.619362 O\n0.228683 0.918745 0.880638 O\n0.771317 0.581255 0.880638 O\n0.271317 0.418745 0.619362 O\n0.728683 0.581255 0.380638 O\n0.228683 0.418745 0.119362 O\n0.771317 0.081255 0.119362 O\n0.271317 0.918745 0.380638 O\n",
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{
"id": "mp-23818",
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"structure_string": "Ba1 Li1 H3\n1.0\n4.018758 0.000000 0.000000\n0.000000 4.018758 0.000000\n0.000000 0.000000 4.018758\nBa Li H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n",
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{
"id": "mp-557769",
"created_at": "2022-09-04T14:43:06.628043Z",
"structure_string": "Ca8 H16 C16 O40\n1.0\n14.783654 0.000000 0.000000\n0.000000 6.380312 0.000000\n0.000000 3.374828 9.587378\nCa H C O\n8 16 16 40\ndirect\n0.122817 0.007210 0.435661 Ca\n0.623939 0.962568 0.447161 Ca\n0.622817 0.992790 0.064339 Ca\n0.377183 0.007210 0.935661 Ca\n0.876061 0.962568 0.947161 Ca\n0.877183 0.992790 0.564339 Ca\n0.376061 0.037432 0.552839 Ca\n0.123939 0.037432 0.052839 Ca\n0.623098 0.477807 0.562564 H\n0.133198 0.515512 0.546916 H\n0.375554 0.483692 0.289482 H\n0.366802 0.515512 0.046916 H\n0.876902 0.477807 0.062564 H\n0.624446 0.516308 0.710518 H\n0.123098 0.522193 0.937436 H\n0.278487 0.610398 0.092679 H\n0.221513 0.610398 0.592679 H\n0.866802 0.484488 0.453084 H\n0.721513 0.389602 0.907321 H\n0.376902 0.522193 0.437436 H\n0.875554 0.516308 0.210518 H\n0.778487 0.389602 0.407321 H\n0.633198 0.484488 0.953084 H\n0.124446 0.483692 0.789482 H\n0.872251 0.517751 0.817741 C\n0.573373 0.998043 0.751083 C\n0.627749 0.517751 0.317741 C\n0.127749 0.482249 0.182259 C\n0.882599 0.446159 0.687091 C\n0.372251 0.482249 0.682259 C\n0.426627 0.001957 0.248917 C\n0.617401 0.446159 0.187091 C\n0.320492 0.022423 0.244197 C\n0.926627 0.998043 0.251083 C\n0.820492 0.977577 0.255803 C\n0.679508 0.977577 0.755803 C\n0.179508 0.022423 0.744197 C\n0.382599 0.553841 0.812909 C\n0.073373 0.001957 0.748917 C\n0.117401 0.553841 0.312909 C\n0.535020 0.006604 0.637991 O\n0.390523 0.413784 0.389286 O\n0.891691 0.601332 0.571354 O\n0.844699 0.389283 0.397868 O\n0.878355 0.240019 0.705827 O\n0.534910 0.005173 0.861065 O\n0.646542 0.363746 0.431189 O\n0.378355 0.759981 0.794173 O\n0.121645 0.759981 0.294173 O\n0.155301 0.610717 0.602132 O\n0.464980 0.993396 0.362009 O\n0.218400 0.027401 0.854267 O\n0.781600 0.972599 0.145733 O\n0.391691 0.398668 0.928646 O\n0.146542 0.636254 0.068811 O\n0.281600 0.027401 0.354267 O\n0.465090 0.994827 0.138935 O\n0.964980 0.006604 0.137991 O\n0.609477 0.586216 0.610714 O\n0.034910 0.994827 0.638935 O\n0.890523 0.586216 0.110714 O\n0.353458 0.636254 0.568811 O\n0.782416 0.968643 0.369416 O\n0.035020 0.993396 0.862009 O\n0.879413 0.722245 0.801179 O\n0.108309 0.398668 0.428646 O\n0.120587 0.277755 0.198821 O\n0.965090 0.005173 0.361065 O\n0.620587 0.722245 0.301179 O\n0.109477 0.413784 0.889286 O\n0.379413 0.277755 0.698821 O\n0.718400 0.972599 0.645733 O\n0.621645 0.240019 0.205827 O\n0.344699 0.610717 0.102132 O\n0.282416 0.031357 0.130584 O\n0.853458 0.363746 0.931189 O\n0.217584 0.031357 0.630584 O\n0.655301 0.389283 0.897868 O\n0.717584 0.968643 0.869416 O\n0.608309 0.601332 0.071354 O\n",
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{
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"structure_string": "Yb6 Mn23\n1.0\n0.000000 6.146051 6.146051\n6.146051 0.000000 6.146051\n6.146051 6.146051 0.000000\nYb Mn\n6 23\ndirect\n0.707685 0.707685 0.292315 Yb\n0.292315 0.707685 0.292315 Yb\n0.707685 0.292315 0.292315 Yb\n0.292315 0.292315 0.707685 Yb\n0.707685 0.292315 0.707685 Yb\n0.292315 0.707685 0.707685 Yb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.880351 0.880351 0.358947 Mn\n0.880351 0.358947 0.880351 Mn\n0.358947 0.880351 0.880351 Mn\n0.880351 0.880351 0.880351 Mn\n0.119649 0.119649 0.641053 Mn\n0.119649 0.641053 0.119649 Mn\n0.641053 0.119649 0.119649 Mn\n0.119649 0.119649 0.119649 Mn\n0.676852 0.676852 0.969443 Mn\n0.676852 0.969443 0.676852 Mn\n0.969443 0.676852 0.676852 Mn\n0.676852 0.676852 0.676852 Mn\n0.323148 0.323148 0.030557 Mn\n0.323148 0.030557 0.323148 Mn\n0.030557 0.323148 0.323148 Mn\n0.323148 0.323148 0.323148 Mn\n",
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{
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"structure_string": "Al8 Tl8 S16\n1.0\n5.207245 5.205755 0.000000\n-5.207245 5.205755 0.000000\n0.000000 2.613455 15.132272\nAl Tl S\n8 8 16\ndirect\n0.419586 0.292076 0.336813 Al\n0.707924 0.580414 0.163187 Al\n0.580414 0.707924 0.663187 Al\n0.292076 0.419586 0.836813 Al\n0.707865 0.089163 0.164490 Al\n0.910837 0.292135 0.335510 Al\n0.292135 0.910837 0.835510 Al\n0.089163 0.707865 0.664490 Al\n0.651314 0.782819 0.384805 Tl\n0.217181 0.348686 0.115195 Tl\n0.348686 0.217181 0.615195 Tl\n0.782819 0.651314 0.884805 Tl\n0.227221 0.851435 0.111464 Tl\n0.148565 0.772779 0.388536 Tl\n0.772779 0.148565 0.888536 Tl\n0.851435 0.227221 0.611464 Tl\n0.434314 0.060377 0.251340 S\n0.939623 0.565686 0.248660 S\n0.565686 0.939623 0.748660 S\n0.060377 0.434314 0.751340 S\n0.435135 0.564865 0.250000 S\n0.564865 0.435135 0.750000 S\n0.938937 0.061063 0.250000 S\n0.061063 0.938937 0.750000 S\n0.727462 0.856890 0.077470 S\n0.143110 0.272538 0.422530 S\n0.272538 0.143110 0.922530 S\n0.856890 0.727462 0.577470 S\n0.643265 0.269805 0.427153 S\n0.730195 0.356735 0.072847 S\n0.356735 0.730195 0.572847 S\n0.269805 0.643265 0.927153 S\n",
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{
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