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{
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{
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"structure_string": "La4 Zn6 Ge12\n1.0\n3.014189 -12.550216 0.000000\n3.014189 12.550216 0.000000\n0.000000 0.000000 6.025187\nLa Zn Ge\n4 6 12\ndirect\n0.894418 0.105582 0.250000 La\n0.394612 0.605388 0.750000 La\n0.605388 0.394612 0.250000 La\n0.105582 0.894418 0.750000 La\n0.760655 0.760655 0.000000 Zn\n0.338950 0.661050 0.250000 Zn\n0.760655 0.760655 0.500000 Zn\n0.661050 0.338950 0.750000 Zn\n0.239345 0.239345 0.000000 Zn\n0.239345 0.239345 0.500000 Zn\n0.013046 0.416105 0.964798 Ge\n0.986954 0.583895 0.464798 Ge\n0.583895 0.986954 0.964798 Ge\n0.986954 0.583895 0.035202 Ge\n0.933890 0.066110 0.750000 Ge\n0.416105 0.013046 0.464798 Ge\n0.441314 0.558686 0.250000 Ge\n0.583895 0.986954 0.535202 Ge\n0.416105 0.013046 0.035202 Ge\n0.066110 0.933890 0.250000 Ge\n0.558686 0.441314 0.750000 Ge\n0.013046 0.416105 0.535202 Ge\n",
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},
{
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{
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"structure_string": "K3 Er1 V2 O8\n1.0\n-3.005760 -5.206458 -0.000133\n-3.006045 5.206622 0.000000\n-0.000167 -0.000096 -7.865709\nK Er V O\n3 1 2 8\ndirect\n0.666611 0.333305 0.293177 K\n0.333389 0.666695 0.706823 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 Er\n0.666604 0.333302 0.743694 V\n0.333396 0.666698 0.256306 V\n0.666607 0.333304 0.958523 O\n0.333393 0.666696 0.041477 O\n0.826421 0.652870 0.668117 O\n0.347133 0.173566 0.668118 O\n0.826421 0.173552 0.668117 O\n0.173579 0.347130 0.331883 O\n0.652867 0.826434 0.331882 O\n0.173579 0.826448 0.331883 O\n",
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{
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"structure_string": "Li1 Sm2 Al1\n1.0\n0.000000 3.714464 3.714464\n3.714464 0.000000 3.714464\n3.714464 3.714464 0.000000\nLi Sm Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Al\n",
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{
"id": "mp-1182124",
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"structure_string": "Ca1 H6 S4 O16\n1.0\n5.384432 -0.193581 1.017914\n1.113081 8.235596 0.238525\n-0.677558 0.159855 8.531744\nCa H S O\n1 6 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.448816 0.304190 0.569027 H\n0.551184 0.695809 0.430973 H\n0.176177 0.410311 0.769079 H\n0.823823 0.589689 0.230921 H\n0.650705 0.843604 0.616897 H\n0.349295 0.156396 0.383103 H\n0.543090 0.134827 0.754082 S\n0.456910 0.865173 0.245918 S\n0.085094 0.661242 0.727738 S\n0.914906 0.338758 0.272262 S\n0.511615 0.684811 0.319084 O\n0.488385 0.315189 0.680916 O\n0.672211 0.038245 0.625495 O\n0.327789 0.961755 0.374505 O\n0.700312 0.916671 0.191092 O\n0.299688 0.083329 0.808908 O\n0.690818 0.158411 0.881961 O\n0.309182 0.841589 0.118039 O\n0.957321 0.774565 0.844547 O\n0.042679 0.225435 0.155453 O\n0.344215 0.278586 0.392223 O\n0.655785 0.721414 0.607777 O\n0.075523 0.318629 0.428857 O\n0.924477 0.681371 0.571143 O\n0.030469 0.487671 0.803691 O\n0.969531 0.512329 0.196309 O\n",
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{
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"structure_string": "Co4 H80 I4 N24 Cl8 O16\n1.0\n7.180464 0.000000 0.000000\n0.000000 14.115566 0.000000\n-5.746032 0.000000 13.566578\nCo H I N Cl O\n4 80 4 24 8 16\ndirect\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.934003 0.326010 0.960889 H\n0.934003 0.173990 0.460889 H\n0.065997 0.673990 0.039111 H\n0.065997 0.826010 0.539111 H\n0.969834 0.336807 0.079070 H\n0.969834 0.163193 0.579070 H\n0.030166 0.663193 0.920930 H\n0.030166 0.836807 0.420930 H\n0.162176 0.339092 0.044055 H\n0.162176 0.160908 0.544055 H\n0.837824 0.660908 0.955945 H\n0.837824 0.839092 0.455945 H\n0.644454 0.428629 0.937773 H\n0.644454 0.071371 0.437773 H\n0.355546 0.571371 0.062227 H\n0.355546 0.928629 0.562227 H\n0.675459 0.480369 0.843278 H\n0.675459 0.019631 0.343278 H\n0.324541 0.519631 0.156722 H\n0.324541 0.980369 0.656722 H\n0.628251 0.544407 0.926141 H\n0.628251 0.955593 0.426141 H\n0.371749 0.455593 0.073859 H\n0.371749 0.044407 0.573859 H\n0.244780 0.617663 0.472840 H\n0.244780 0.882337 0.972840 H\n0.755220 0.382337 0.527160 H\n0.755220 0.117663 0.027160 H\n0.362513 0.557105 0.575346 H\n0.362513 0.942895 0.075346 H\n0.637487 0.442895 0.424654 H\n0.637487 0.057105 0.924654 H\n0.213198 0.647063 0.575342 H\n0.213198 0.852937 0.075342 H\n0.786802 0.352937 0.424658 H\n0.786802 0.147063 0.924658 H\n0.859279 0.472673 0.134971 H\n0.859279 0.027327 0.634971 H\n0.140721 0.527327 0.865029 H\n0.140721 0.972673 0.365029 H\n0.850113 0.495480 0.313775 H\n0.850113 0.004520 0.813775 H\n0.149887 0.504520 0.686225 H\n0.149887 0.995480 0.186225 H\n0.210863 0.447404 0.406796 H\n0.210863 0.052596 0.906796 H\n0.789137 0.552596 0.593204 H\n0.789137 0.947404 0.093204 H\n0.821426 0.582997 0.093256 H\n0.821426 0.917003 0.593256 H\n0.178574 0.417003 0.906744 H\n0.178574 0.082997 0.406744 H\n0.069304 0.355743 0.413057 H\n0.069304 0.144257 0.913057 H\n0.930696 0.644257 0.586943 H\n0.930696 0.855743 0.086943 H\n0.731869 0.577595 0.349226 H\n0.731869 0.922405 0.849226 H\n0.268131 0.422405 0.650774 H\n0.268131 0.077595 0.150774 H\n0.279309 0.384461 0.508373 H\n0.279309 0.115539 0.008373 H\n0.720691 0.615539 0.491627 H\n0.720691 0.884461 0.991627 H\n0.956118 0.602439 0.348149 H\n0.956118 0.897561 0.848149 H\n0.043882 0.397561 0.651851 H\n0.043882 0.102439 0.151851 H\n0.047257 0.548835 0.173314 H\n0.047257 0.951165 0.673314 H\n0.952743 0.451165 0.826686 H\n0.952743 0.048835 0.326686 H\n0.410229 0.247682 0.334330 H\n0.410229 0.252318 0.834330 H\n0.589771 0.752318 0.665670 H\n0.589771 0.747682 0.165670 H\n0.219733 0.265067 0.239159 H\n0.219733 0.234933 0.739159 H\n0.780267 0.734933 0.760841 H\n0.780267 0.765067 0.260841 H\n0.744502 0.275447 0.215867 I\n0.744502 0.224553 0.715867 I\n0.255498 0.724553 0.784133 I\n0.255498 0.775447 0.284133 I\n0.155219 0.412212 0.452556 N\n0.155219 0.087788 0.952556 N\n0.844781 0.587788 0.547444 N\n0.844781 0.912212 0.047444 N\n0.873697 0.550125 0.364421 N\n0.873697 0.949875 0.864421 N\n0.126303 0.449875 0.635579 N\n0.126303 0.050125 0.135579 N\n0.227936 0.590455 0.533934 N\n0.227936 0.909545 0.033934 N\n0.772064 0.409545 0.466066 N\n0.772064 0.090455 0.966066 N\n0.924975 0.528108 0.111715 N\n0.924975 0.971892 0.611715 N\n0.075025 0.471892 0.888285 N\n0.075025 0.028108 0.388285 N\n0.708056 0.486614 0.917747 N\n0.708056 0.013386 0.417747 N\n0.291944 0.513386 0.082253 N\n0.291944 0.986614 0.582253 N\n0.015944 0.362198 0.025342 N\n0.015944 0.137802 0.525342 N\n0.984056 0.637802 0.974658 N\n0.984056 0.862198 0.474658 N\n0.367193 0.547810 0.331171 Cl\n0.367193 0.952190 0.831171 Cl\n0.632807 0.452190 0.668829 Cl\n0.632807 0.047810 0.168829 Cl\n0.449791 0.319034 0.988336 Cl\n0.449791 0.180966 0.488336 Cl\n0.550209 0.680966 0.011664 Cl\n0.550209 0.819034 0.511664 Cl\n0.948072 0.242383 0.175461 O\n0.948072 0.257617 0.675461 O\n0.051928 0.757617 0.824539 O\n0.051928 0.742383 0.324539 O\n0.868228 0.256634 0.350012 O\n0.868228 0.243366 0.850012 O\n0.131772 0.743366 0.649988 O\n0.131772 0.756634 0.149988 O\n0.768276 0.404627 0.216215 O\n0.768276 0.095373 0.716215 O\n0.231724 0.595373 0.783785 O\n0.231724 0.904627 0.283785 O\n0.369792 0.268426 0.265595 O\n0.369792 0.231574 0.765595 O\n0.630208 0.731574 0.734405 O\n0.630208 0.768426 0.234405 O\n",
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{
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{
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"formula_full": "Li4 V4 I8 O32",
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{
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"structure_string": "Ca6 Si2 O2\n1.0\n-3.333606 3.343194 4.722153\n3.333606 -3.343194 4.722153\n3.333606 3.343194 -4.722153\nCa Si O\n6 2 2\ndirect\n0.783748 0.250000 0.533748 Ca\n0.216252 0.750000 0.466252 Ca\n0.267309 0.267309 0.500000 Ca\n0.732691 0.232691 0.000000 Ca\n0.732691 0.732691 0.500000 Ca\n0.267309 0.767309 0.000000 Ca\n0.748688 0.750000 0.998688 Si\n0.251312 0.250000 0.001312 Si\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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"formula_full": "Ca6 Si2 O2",
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{
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"created_at": "2022-09-04T14:46:10.503922Z",
"structure_string": "La2 Mg2 Cr2 Cu2 O12\n1.0\n5.390308 0.000000 0.000000\n0.000000 5.310812 0.000000\n0.000000 5.329412 7.733951\nLa Mg Cr Cu O\n2 2 2 2 12\ndirect\n0.206634 0.745923 0.249919 La\n0.793366 0.745923 0.749919 La\n0.690059 0.281215 0.243075 Mg\n0.309941 0.281215 0.743075 Mg\n0.255260 0.010306 0.498914 Cr\n0.744740 0.010306 0.998914 Cr\n0.249544 0.503967 0.000679 Cu\n0.750456 0.503967 0.500679 Cu\n0.690855 0.169745 0.751370 O\n0.496282 0.718985 0.063741 O\n0.476253 0.321913 0.447691 O\n0.941708 0.630921 0.057568 O\n0.957567 0.228841 0.439041 O\n0.223692 0.888184 0.748003 O\n0.309145 0.169745 0.251370 O\n0.503718 0.718985 0.563741 O\n0.523747 0.321913 0.947691 O\n0.058292 0.630921 0.557568 O\n0.042433 0.228841 0.939041 O\n0.776308 0.888184 0.248003 O\n",
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{
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"structure_string": "Mg12 Mn2 Mo2\n1.0\n4.772875 0.000000 0.000000\n0.000000 5.977050 0.000000\n0.000000 0.000000 10.882517\nMg Mn Mo\n12 2 2\ndirect\n0.000000 0.760313 0.580935 Mg\n0.000000 0.239687 0.580935 Mg\n0.000000 0.500000 0.830259 Mg\n0.500000 0.243230 0.921311 Mg\n0.500000 0.756770 0.921311 Mg\n0.500000 0.500000 0.669381 Mg\n0.000000 0.260313 0.080935 Mg\n0.000000 0.739687 0.080935 Mg\n0.000000 0.000000 0.330259 Mg\n0.500000 0.743230 0.421311 Mg\n0.500000 0.256770 0.421311 Mg\n0.500000 0.000000 0.169381 Mg\n0.000000 0.000000 0.807187 Mn\n0.000000 0.500000 0.307187 Mn\n0.500000 0.000000 0.688680 Mo\n0.500000 0.500000 0.188680 Mo\n",
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],
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"formula_full": "Mg12 Mn2 Mo2",
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}
]
}