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{
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{
"id": "mp-1247836",
"created_at": "2022-09-04T14:47:59.682213Z",
"structure_string": "Al4 C1 O1\n1.0\n2.556598 0.000000 0.000000\n-2.556598 4.000656 -0.398743\n-1.278299 0.913268 9.299291\nAl C O\n4 1 1\ndirect\n0.292665 0.511211 0.562910 Al\n0.563347 0.072154 0.982386 Al\n0.148582 0.569478 0.158208 Al\n0.744990 0.074741 0.340496 Al\n0.860286 0.021496 0.677582 C\n0.390130 0.000920 0.778418 O\n",
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{
"id": "mp-1218918",
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"structure_string": "Sr10 P6 Br1 O24 F1\n1.0\n4.996799 -8.654709 0.000000\n4.996799 8.654709 0.000000\n0.000000 0.000000 7.325503\nSr P Br O F\n10 6 1 24 1\ndirect\n0.666667 0.333333 0.498727 Sr\n0.333333 0.666667 0.999074 Sr\n0.333333 0.666667 0.493709 Sr\n0.666667 0.333333 0.004381 Sr\n0.734382 0.725152 0.743645 Sr\n0.274848 0.009229 0.743645 Sr\n0.990771 0.265618 0.743645 Sr\n0.238504 0.243953 0.250531 Sr\n0.756047 0.994551 0.250531 Sr\n0.005449 0.761496 0.250531 Sr\n0.033142 0.633155 0.751278 P\n0.366845 0.399987 0.751278 P\n0.600013 0.966858 0.751278 P\n0.969045 0.373264 0.250216 P\n0.626736 0.595781 0.250216 P\n0.404219 0.030955 0.250216 P\n0.000000 0.000000 0.910924 Br\n0.078973 0.743061 0.583889 O\n0.256939 0.335912 0.583889 O\n0.664088 0.921027 0.583889 O\n0.916829 0.268345 0.077611 O\n0.731655 0.648485 0.077611 O\n0.351515 0.083171 0.077611 O\n0.917266 0.265488 0.420378 O\n0.734512 0.651778 0.420378 O\n0.348222 0.082734 0.420378 O\n0.088479 0.729698 0.929102 O\n0.270302 0.358781 0.929102 O\n0.641219 0.911521 0.929102 O\n0.124316 0.543559 0.738598 O\n0.456441 0.580757 0.738598 O\n0.419243 0.875684 0.738598 O\n0.881218 0.465871 0.253548 O\n0.534129 0.415347 0.253548 O\n0.584653 0.118782 0.253548 O\n0.854984 0.516879 0.751867 O\n0.483121 0.338105 0.751867 O\n0.661895 0.145016 0.751867 O\n0.147473 0.482846 0.250919 O\n0.517154 0.664628 0.250919 O\n0.335372 0.852527 0.250919 O\n0.000000 0.000000 0.338442 F\n",
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"elements": [
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],
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"formula_full": "Sr10 P6 Br1 O24 F1",
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"spacegroup": 143
},
{
"id": "mp-1523025",
"created_at": "2022-09-04T14:47:59.703280Z",
"structure_string": "Na1 Ce1 Ti4 O12\n1.0\n0.000000 -3.804568 -3.832686\n0.000000 -3.804568 3.832686\n-7.799409 0.000000 0.000000\nNa Ce Ti O\n1 1 4 12\ndirect\n0.987926 0.012074 0.000000 Na\n0.522590 0.477410 0.500000 Ce\n0.493890 0.989081 0.234655 Ti\n0.493890 0.989081 0.765345 Ti\n0.010919 0.506110 0.765345 Ti\n0.010919 0.506110 0.234655 Ti\n0.290268 0.288972 0.276787 O\n0.711028 0.709732 0.276787 O\n0.711028 0.709732 0.723213 O\n0.290268 0.288972 0.723213 O\n0.206938 0.793062 0.212978 O\n0.759477 0.240523 0.302055 O\n0.759477 0.240523 0.697945 O\n0.206938 0.793062 0.787022 O\n0.552590 0.020908 0.000000 O\n0.461478 0.936215 0.500000 O\n0.979092 0.447410 0.000000 O\n0.063785 0.538522 0.500000 O\n",
"nsites": 18,
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"volume": 227.4575107639584,
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"formula_full": "Na1 Ce1 Ti4 O12",
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},
{
"id": "mp-1181610",
"created_at": "2022-09-04T14:47:59.704425Z",
"structure_string": "K8 Mo4 Se8 O44\n1.0\n12.341252 0.000000 0.000000\n0.000000 9.424881 0.000000\n0.000000 4.138160 9.994271\nK Mo Se O\n8 4 8 44\ndirect\n0.852480 0.624725 0.674694 K\n0.352480 0.875275 0.325306 K\n0.147520 0.375275 0.325306 K\n0.647520 0.124725 0.674694 K\n0.141668 0.957881 0.745998 K\n0.641668 0.542119 0.254002 K\n0.858332 0.042119 0.254002 K\n0.358332 0.457881 0.745998 K\n0.151774 0.142093 0.064807 Mo\n0.651774 0.357907 0.935193 Mo\n0.848226 0.857907 0.935193 Mo\n0.348226 0.642093 0.064807 Mo\n0.128780 0.522513 0.906999 Se\n0.628780 0.977487 0.093001 Se\n0.871220 0.477487 0.093001 Se\n0.371220 0.022513 0.906999 Se\n0.115675 0.766280 0.165914 Se\n0.615675 0.733720 0.834086 Se\n0.884325 0.233720 0.834086 Se\n0.384325 0.266280 0.165914 Se\n0.793172 0.648373 0.063910 O\n0.293172 0.851627 0.936090 O\n0.206828 0.351627 0.936090 O\n0.706828 0.148373 0.063910 O\n0.755452 0.318089 0.787010 O\n0.255452 0.181911 0.212990 O\n0.244548 0.681911 0.212990 O\n0.744548 0.818089 0.787010 O\n0.643046 0.567828 0.789663 O\n0.143046 0.932172 0.210337 O\n0.356954 0.432172 0.210337 O\n0.856954 0.067828 0.789663 O\n0.897657 0.918036 0.058358 O\n0.397657 0.581964 0.941642 O\n0.102343 0.081964 0.941642 O\n0.602343 0.418036 0.058358 O\n0.180495 0.575762 0.032037 O\n0.680495 0.924238 0.967963 O\n0.819505 0.424238 0.967963 O\n0.319505 0.075762 0.032037 O\n0.960060 0.776035 0.885176 O\n0.460060 0.723965 0.114824 O\n0.039940 0.223965 0.114824 O\n0.539940 0.276035 0.885176 O\n0.180184 0.645474 0.760865 O\n0.680184 0.854526 0.239135 O\n0.819816 0.354526 0.239135 O\n0.319816 0.145474 0.760865 O\n0.958213 0.348999 0.705444 O\n0.458213 0.151001 0.294556 O\n0.041787 0.651001 0.294556 O\n0.541787 0.848999 0.705444 O\n0.067295 0.791503 0.504512 O\n0.567295 0.708497 0.495488 O\n0.932705 0.208497 0.495488 O\n0.432705 0.291503 0.504512 O\n0.906349 0.074087 0.517824 O\n0.406349 0.425913 0.482176 O\n0.093651 0.925913 0.482176 O\n0.593651 0.574087 0.517824 O\n0.835891 0.708371 0.363981 O\n0.335891 0.791629 0.636019 O\n0.164109 0.291629 0.636019 O\n0.664109 0.208371 0.363981 O\n",
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"formula_full": "K8 Mo4 Se8 O44",
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"spacegroup": 14
},
{
"id": "mp-1030934",
"created_at": "2022-09-04T14:47:59.709445Z",
"structure_string": "Li1 Ce1 Mg6 O8\n1.0\n8.965666 0.000000 0.000000\n0.000000 4.408890 0.000000\n0.000000 0.000000 4.408890\nLi Ce Mg O\n1 1 6 8\ndirect\n0.000000 0.000000 -0.000000 Li\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.267541 0.000000 0.500000 Mg\n0.732459 -0.000000 0.500000 Mg\n0.267541 0.500000 0.000000 Mg\n0.732459 0.500000 -0.000000 Mg\n0.265448 0.000000 -0.000000 O\n0.734552 -0.000000 0.000000 O\n0.268529 0.500000 0.500000 O\n0.731471 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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],
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"density": 4.010223461106918,
"density_atomic": 0.09180765609070096,
"volume": 174.2774043179239,
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"formula_full": "Li1 Ce1 Mg6 O8",
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{
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"structure_string": "Nb3 Ge6\n1.0\n2.506660 -4.341662 0.000000\n2.506660 4.341662 0.000000\n0.000000 0.000000 6.841712\nNb Ge\n3 6\ndirect\n0.000000 0.500000 0.166667 Nb\n0.500000 0.500000 0.833333 Nb\n0.500000 0.000000 0.500000 Nb\n0.835877 0.671753 0.500000 Ge\n0.164123 0.835877 0.833333 Ge\n0.671753 0.835877 0.166667 Ge\n0.164123 0.328247 0.500000 Ge\n0.835877 0.164123 0.833333 Ge\n0.328247 0.164123 0.166667 Ge\n",
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{
"id": "mp-757231",
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"structure_string": "Li2 Mn4 P4 H2 O16\n1.0\n5.166200 0.094688 -0.097796\n-2.527448 8.527485 -0.252060\n1.915699 1.586513 8.395729\nLi Mn P H O\n2 4 4 2 16\ndirect\n0.613749 0.296676 0.195042 Li\n0.386261 0.703353 0.804988 Li\n0.773179 0.394747 0.783392 Mn\n0.226749 0.604914 0.216160 Mn\n0.328809 0.122004 0.595932 Mn\n0.671151 0.877994 0.404091 Mn\n0.865198 0.749936 0.063457 P\n0.134825 0.250115 0.936595 P\n0.100354 0.743501 0.572220 P\n0.899652 0.256497 0.427789 P\n0.900080 0.939224 0.876794 H\n0.099933 0.060818 0.123264 H\n0.105236 0.125906 0.822270 O\n0.894804 0.874125 0.177755 O\n0.374162 0.400043 0.866616 O\n0.625911 0.599988 0.133428 O\n0.817705 0.768412 0.571240 O\n0.182304 0.231646 0.428784 O\n0.140211 0.709059 0.014733 O\n0.859835 0.291005 0.985289 O\n0.737932 0.263428 0.599150 O\n0.262050 0.736539 0.400854 O\n0.789481 0.825047 0.911901 O\n0.210532 0.174987 0.088154 O\n0.697164 0.117265 0.374439 O\n0.302843 0.882778 0.625581 O\n0.922024 0.403635 0.313769 O\n0.077867 0.596358 0.686315 O\n",
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"formula_full": "Li2 Mn4 P4 H2 O16",
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{
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"structure_string": "O4 F8\n1.0\n3.019233 0.000000 0.000000\n0.000000 5.970589 0.000000\n0.000000 0.000000 9.031410\nO F\n4 8\ndirect\n0.250000 0.910309 0.382298 O\n0.250000 0.589691 0.882298 O\n0.750000 0.089691 0.617702 O\n0.750000 0.410309 0.117702 O\n0.250000 0.809205 0.945794 F\n0.250000 0.690795 0.445794 F\n0.750000 0.190795 0.054206 F\n0.750000 0.309205 0.554206 F\n0.250000 0.869876 0.226520 F\n0.250000 0.630124 0.726520 F\n0.750000 0.130124 0.773480 F\n0.750000 0.369876 0.273480 F\n",
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{
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"structure_string": "H4 Pb2 Cl4 O14\n1.0\n3.971759 6.333382 0.000000\n-3.971759 6.333382 0.000000\n0.000000 6.082821 6.568663\nH Pb Cl O\n4 2 4 14\ndirect\n0.718813 0.199793 0.369301 H\n0.281187 0.800207 0.630699 H\n0.800207 0.281187 0.130699 H\n0.199793 0.718813 0.869301 H\n0.383504 0.616496 0.250000 Pb\n0.616496 0.383504 0.750000 Pb\n0.784921 0.821002 0.189616 Cl\n0.215079 0.178998 0.810384 Cl\n0.178998 0.215079 0.310384 Cl\n0.821002 0.784921 0.689616 Cl\n0.260785 0.970381 0.389477 O\n0.739215 0.029619 0.610523 O\n0.029619 0.739215 0.110523 O\n0.970381 0.260785 0.889477 O\n0.717709 0.886883 0.032287 O\n0.282291 0.113117 0.967713 O\n0.113117 0.282291 0.467713 O\n0.886883 0.717709 0.532287 O\n0.688497 0.311503 0.250000 O\n0.311503 0.688497 0.750000 O\n0.378374 0.331213 0.129126 O\n0.621626 0.668787 0.870874 O\n0.668787 0.621626 0.370874 O\n0.331213 0.378374 0.629126 O\n",
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{
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{
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}