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{
"id": "mp-8863",
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"structure_string": "Ba24 Mo8 N32\n1.0\n10.519620 0.000000 0.000000\n0.000000 10.965355 0.000000\n0.000000 0.000000 12.389868\nBa Mo N\n24 8 32\ndirect\n0.532496 0.374406 0.393460 Ba\n0.206329 0.721359 0.378839 Ba\n0.793671 0.778641 0.878839 Ba\n0.293671 0.221359 0.621161 Ba\n0.293671 0.721359 0.878839 Ba\n0.793671 0.278641 0.621161 Ba\n0.206329 0.221359 0.121161 Ba\n0.706329 0.778641 0.378839 Ba\n0.706329 0.278641 0.121161 Ba\n0.032496 0.625594 0.106540 Ba\n0.967504 0.874406 0.606540 Ba\n0.467504 0.125594 0.893460 Ba\n0.467504 0.625594 0.606540 Ba\n0.967504 0.374406 0.893460 Ba\n0.032496 0.125594 0.393460 Ba\n0.532496 0.874406 0.106540 Ba\n0.879319 0.469737 0.360838 Ba\n0.379319 0.530263 0.139162 Ba\n0.620681 0.969737 0.639162 Ba\n0.120681 0.030263 0.860838 Ba\n0.120681 0.530263 0.639162 Ba\n0.620681 0.469737 0.860838 Ba\n0.379319 0.030263 0.360838 Ba\n0.879319 0.969737 0.139162 Ba\n0.701396 0.094935 0.385356 Mo\n0.201396 0.905065 0.114644 Mo\n0.798604 0.594935 0.614644 Mo\n0.298604 0.405065 0.885356 Mo\n0.298604 0.905065 0.614644 Mo\n0.798604 0.094935 0.885356 Mo\n0.201396 0.405065 0.385356 Mo\n0.701396 0.594935 0.114644 Mo\n0.792660 0.225527 0.321488 N\n0.292660 0.774473 0.178512 N\n0.707340 0.725527 0.678512 N\n0.207340 0.274473 0.821488 N\n0.207340 0.774473 0.678512 N\n0.707340 0.225527 0.821488 N\n0.292660 0.274473 0.321488 N\n0.792660 0.725527 0.178512 N\n0.813431 0.493178 0.036948 N\n0.313431 0.506822 0.463052 N\n0.686569 0.993178 0.963052 N\n0.186569 0.006822 0.536948 N\n0.186569 0.506822 0.963052 N\n0.686569 0.493178 0.536948 N\n0.313431 0.006822 0.036948 N\n0.623097 0.994129 0.282715 N\n0.575654 0.152140 0.482037 N\n0.075654 0.847860 0.017963 N\n0.924346 0.652140 0.517963 N\n0.424346 0.347860 0.982037 N\n0.424346 0.847860 0.517963 N\n0.924346 0.152140 0.982037 N\n0.075654 0.347860 0.482037 N\n0.575654 0.652140 0.017963 N\n0.623097 0.494129 0.217285 N\n0.123097 0.505871 0.282715 N\n0.876903 0.994129 0.782715 N\n0.376903 0.005871 0.717285 N\n0.376903 0.505871 0.782715 N\n0.876903 0.494129 0.717285 N\n0.123097 0.005871 0.217285 N\n0.813431 0.993178 0.463052 N\n",
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"spacegroup": 61
},
{
"id": "mp-557970",
"created_at": "2022-09-04T14:40:10.706936Z",
"structure_string": "Sr12 Cu12 Te24 O72\n1.0\n12.629583 0.000000 0.000000\n0.000000 12.629583 0.000000\n0.000000 0.000000 12.629583\nSr Cu Te O\n12 12 24 72\ndirect\n0.695558 0.695558 0.695558 Sr\n0.804442 0.304442 0.195558 Sr\n0.445558 0.945558 0.554442 Sr\n0.945558 0.554442 0.445558 Sr\n0.554442 0.445558 0.945558 Sr\n0.125000 0.375000 0.625000 Sr\n0.054442 0.054442 0.054442 Sr\n0.304442 0.195558 0.804442 Sr\n0.375000 0.625000 0.125000 Sr\n0.625000 0.125000 0.375000 Sr\n0.875000 0.875000 0.875000 Sr\n0.195558 0.804442 0.304442 Sr\n0.774117 0.024117 0.125000 Cu\n0.524117 0.375000 0.225883 Cu\n0.475883 0.875000 0.274117 Cu\n0.024117 0.125000 0.774117 Cu\n0.975883 0.625000 0.725883 Cu\n0.274117 0.475883 0.875000 Cu\n0.375000 0.225883 0.524117 Cu\n0.625000 0.725883 0.975883 Cu\n0.225883 0.524117 0.375000 Cu\n0.725883 0.975883 0.625000 Cu\n0.125000 0.774117 0.024117 Cu\n0.875000 0.274117 0.475883 Cu\n0.579132 0.939398 0.837481 Te\n0.939398 0.837481 0.579132 Te\n0.587481 0.189398 0.670868 Te\n0.560602 0.162519 0.079132 Te\n0.829132 0.412519 0.689398 Te\n0.837481 0.579132 0.939398 Te\n0.079132 0.560602 0.162519 Te\n0.912519 0.810602 0.170868 Te\n0.670868 0.587481 0.189398 Te\n0.420868 0.439398 0.662519 Te\n0.412519 0.689398 0.829132 Te\n0.439398 0.662519 0.420868 Te\n0.920868 0.060602 0.337481 Te\n0.060602 0.337481 0.920868 Te\n0.689398 0.829132 0.412519 Te\n0.310602 0.329132 0.087481 Te\n0.162519 0.079132 0.560602 Te\n0.337481 0.920868 0.060602 Te\n0.810602 0.170868 0.912519 Te\n0.662519 0.420868 0.439398 Te\n0.189398 0.670868 0.587481 Te\n0.170868 0.912519 0.810602 Te\n0.329132 0.087481 0.310602 Te\n0.087481 0.310602 0.329132 Te\n0.772237 0.936855 0.484154 O\n0.378361 0.577905 0.929296 O\n0.131112 0.221280 0.980217 O\n0.621639 0.077905 0.570704 O\n0.813145 0.977763 0.265846 O\n0.871639 0.679296 0.827905 O\n0.929296 0.378361 0.577905 O\n0.368888 0.778720 0.480217 O\n0.922095 0.070704 0.878361 O\n0.429296 0.121639 0.422095 O\n0.769783 0.528720 0.618888 O\n0.734154 0.313145 0.522237 O\n0.118888 0.730217 0.471280 O\n0.265846 0.813145 0.977763 O\n0.528720 0.618888 0.769783 O\n0.868888 0.721280 0.519783 O\n0.381112 0.269783 0.971280 O\n0.936855 0.484154 0.772237 O\n0.186855 0.477763 0.234154 O\n0.278720 0.019783 0.631112 O\n0.977763 0.265846 0.813145 O\n0.730217 0.471280 0.118888 O\n0.577905 0.929296 0.378361 O\n0.422095 0.429296 0.121639 O\n0.234154 0.186855 0.477763 O\n0.371639 0.820704 0.172095 O\n0.563145 0.515846 0.272237 O\n0.230217 0.028720 0.881112 O\n0.063145 0.984154 0.727763 O\n0.172095 0.371639 0.820704 O\n0.022237 0.765846 0.686855 O\n0.121639 0.422095 0.429296 O\n0.221280 0.980217 0.131112 O\n0.272237 0.563145 0.515846 O\n0.721280 0.519783 0.868888 O\n0.269783 0.971280 0.381112 O\n0.778720 0.480217 0.368888 O\n0.070704 0.878361 0.922095 O\n0.019783 0.631112 0.278720 O\n0.313145 0.522237 0.734154 O\n0.980217 0.131112 0.221280 O\n0.028720 0.881112 0.230217 O\n0.179296 0.672095 0.128361 O\n0.727763 0.063145 0.984154 O\n0.436855 0.015846 0.227763 O\n0.686855 0.022237 0.765846 O\n0.522237 0.734154 0.313145 O\n0.618888 0.769783 0.528720 O\n0.227763 0.436855 0.015846 O\n0.327905 0.628361 0.320704 O\n0.015846 0.227763 0.436855 O\n0.320704 0.327905 0.628361 O\n0.077905 0.570704 0.621639 O\n0.477763 0.234154 0.186855 O\n0.631112 0.278720 0.019783 O\n0.820704 0.172095 0.371639 O\n0.672095 0.128361 0.179296 O\n0.628361 0.320704 0.327905 O\n0.519783 0.868888 0.721280 O\n0.570704 0.621639 0.077905 O\n0.471280 0.118888 0.730217 O\n0.971280 0.381112 0.269783 O\n0.679296 0.827905 0.871639 O\n0.984154 0.727763 0.063145 O\n0.878361 0.922095 0.070704 O\n0.881112 0.230217 0.028720 O\n0.827905 0.871639 0.679296 O\n0.515846 0.272237 0.563145 O\n0.480217 0.368888 0.778720 O\n0.128361 0.179296 0.672095 O\n0.484154 0.772237 0.936855 O\n0.765846 0.686855 0.022237 O\n",
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"formula_full": "Sr12 Cu12 Te24 O72",
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{
"id": "mp-568450",
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"structure_string": "Sr4 Al4 H20\n1.0\n4.508000 0.000000 0.000000\n0.000000 5.200000 0.000000\n0.000000 0.000000 12.679000\nSr Al H\n4 4 20\ndirect\n0.286000 0.146000 0.658000 Sr\n0.786000 0.354000 0.342000 Sr\n0.214000 0.854000 0.158000 Sr\n0.714000 0.646000 0.842000 Sr\n0.321000 0.133000 0.915000 Al\n0.821000 0.367000 0.085000 Al\n0.179000 0.867000 0.415000 Al\n0.679000 0.633000 0.585000 Al\n0.528000 0.391000 0.513000 H\n0.028000 0.109000 0.487000 H\n0.972000 0.609000 0.013000 H\n0.472000 0.891000 0.987000 H\n0.168000 0.913000 0.828000 H\n0.668000 0.587000 0.172000 H\n0.332000 0.087000 0.328000 H\n0.832000 0.413000 0.672000 H\n0.195000 0.390000 0.843000 H\n0.695000 0.110000 0.157000 H\n0.305000 0.610000 0.343000 H\n0.805000 0.890000 0.657000 H\n0.624000 0.136000 0.829000 H\n0.124000 0.364000 0.171000 H\n0.876000 0.864000 0.329000 H\n0.376000 0.636000 0.671000 H\n0.018000 0.134000 0.004000 H\n0.518000 0.366000 0.996000 H\n0.482000 0.866000 0.504000 H\n0.982000 0.634000 0.496000 H\n",
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{
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"structure_string": "Li1 Au4 Se4 Cl4 O12\n1.0\n4.459233 -0.081131 0.042565\n0.196354 10.058450 1.454787\n-0.107639 -0.236498 11.093422\nLi Au Se Cl O\n1 4 4 4 12\ndirect\n0.138615 0.418919 0.470898 Li\n0.994008 0.582247 0.187344 Au\n0.998067 0.999621 0.999790 Au\n0.998724 0.419809 0.811075 Au\n0.003282 0.005523 0.497249 Au\n0.721541 0.871629 0.265232 Se\n0.197647 0.713093 0.907496 Se\n0.795102 0.287048 0.088767 Se\n0.282947 0.130542 0.735835 Se\n0.320081 0.498469 0.650962 Cl\n0.701696 0.499293 0.361678 Cl\n0.298266 0.195895 0.445872 Cl\n0.725736 0.815308 0.544697 Cl\n0.655370 0.952164 0.120050 O\n0.689909 0.354945 0.943156 O\n0.027555 0.769380 0.245364 O\n0.082606 0.176076 0.064462 O\n0.060856 0.395431 0.136379 O\n0.911502 0.824195 0.933241 O\n0.303923 0.645865 0.052452 O\n0.975345 0.234977 0.752207 O\n0.930933 0.001638 0.317034 O\n0.927771 0.603984 0.862605 O\n0.342243 0.047504 0.879563 O\n0.069055 0.006445 0.678973 O\n",
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"formula_full": "Li1 Au4 Se4 Cl4 O12",
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{
"id": "mp-1190482",
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"structure_string": "Mn4 N4 Cl12\n1.0\n6.947821 0.000000 0.000000\n0.000000 7.300399 0.000000\n0.000000 0.000000 8.620924\nMn N Cl\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.434041 0.416769 0.250000 N\n0.934041 0.083231 0.250000 N\n0.565959 0.583231 0.750000 N\n0.065959 0.916769 0.750000 N\n0.948341 0.618651 0.250000 Cl\n0.448341 0.881349 0.250000 Cl\n0.051659 0.381349 0.750000 Cl\n0.551659 0.118651 0.750000 Cl\n0.175121 0.826038 0.917059 Cl\n0.675121 0.673962 0.582941 Cl\n0.824879 0.173962 0.417059 Cl\n0.324879 0.326038 0.082941 Cl\n0.824879 0.173962 0.082941 Cl\n0.324879 0.326038 0.417059 Cl\n0.175121 0.826038 0.582941 Cl\n0.675121 0.673962 0.917059 Cl\n",
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{
"id": "mp-1296423",
"created_at": "2022-09-04T14:40:23.113942Z",
"structure_string": "Li2 Mn2 Co6 O16\n1.0\n5.679663 -0.006653 0.018803\n-2.825262 1.656349 4.986580\n0.011536 -9.829911 -0.028644\nLi Mn Co O\n2 2 6 16\ndirect\n0.748398 0.492715 0.241386 Li\n0.254038 0.507440 0.757648 Li\n0.999775 0.003128 0.002646 Mn\n0.499937 0.998202 0.498158 Mn\n0.748446 0.998165 0.249788 Co\n0.999550 0.999308 0.499228 Co\n0.750214 0.001755 0.750499 Co\n0.251051 0.000875 0.750545 Co\n0.500138 0.001189 0.000447 Co\n0.250791 0.997326 0.248885 Co\n0.593809 0.188573 0.861567 O\n0.092259 0.182274 0.367371 O\n0.402960 0.812244 0.134946 O\n0.907716 0.814277 0.636516 O\n0.656976 0.799728 0.384586 O\n0.156027 0.804961 0.879217 O\n0.904366 0.801112 0.134511 O\n0.402852 0.802573 0.637901 O\n0.146060 0.799416 0.382506 O\n0.651012 0.805182 0.879518 O\n0.851463 0.197758 0.617356 O\n0.351317 0.199745 0.120539 O\n0.099116 0.200788 0.863244 O\n0.594373 0.195881 0.364831 O\n0.342609 0.196262 0.617624 O\n0.844746 0.199125 0.118538 O\n",
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{
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"structure_string": "Yb2 Zn1 Rh1\n1.0\n0.000000 3.455140 3.455140\n3.455140 0.000000 3.455140\n3.455140 3.455140 0.000000\nYb Zn Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Rh\n",
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{
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{
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}
]
}