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{
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{
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{
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"structure_string": "Ca1 Mg6 Ni1\n1.0\n3.087009 -5.921797 0.000000\n3.087009 5.921797 0.000000\n0.000000 0.000000 5.082264\nCa Mg Ni\n1 6 1\ndirect\n0.816885 0.183115 0.500000 Ca\n0.319533 0.187782 0.500000 Mg\n0.812218 0.680467 0.500000 Mg\n0.177911 0.342451 0.000000 Mg\n0.657549 0.822089 0.000000 Mg\n0.656303 0.343697 0.000000 Mg\n0.191873 0.808127 0.000000 Mg\n0.367737 0.632263 0.500000 Ni\n",
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"formula_full": "Ca1 Mg6 Ni1",
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},
{
"id": "mp-1185165",
"created_at": "2022-09-04T14:39:44.074520Z",
"structure_string": "La3 Ru1\n1.0\n-2.225830 2.225830 5.559975\n2.225830 -2.225830 5.559975\n2.225830 2.225830 -5.559975\nLa Ru\n3 1\ndirect\n0.749999 0.250000 0.499999 La\n0.250000 0.749999 0.499999 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Ru\n",
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"spacegroup": 139
},
{
"id": "mp-1212634",
"created_at": "2022-09-04T14:39:44.082514Z",
"structure_string": "Er4 Te4 As4\n1.0\n4.054243 0.000000 0.000000\n0.000000 7.508536 0.000000\n0.000000 0.000000 9.862108\nEr Te As\n4 4 4\ndirect\n0.250000 0.731771 0.841073 Er\n0.750000 0.268229 0.158927 Er\n0.750000 0.768229 0.341073 Er\n0.250000 0.231771 0.658927 Er\n0.250000 0.584576 0.148057 Te\n0.750000 0.415424 0.851943 Te\n0.750000 0.915424 0.648057 Te\n0.250000 0.084576 0.351943 Te\n0.250000 0.598563 0.540001 As\n0.750000 0.401437 0.459999 As\n0.750000 0.901437 0.040001 As\n0.250000 0.098563 0.959999 As\n",
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"density": 8.18122646426252,
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"formula_full": "Er4 Te4 As4",
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{
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"structure_string": "Sr8 B64 O104\n1.0\n16.850180 0.000000 0.000000\n0.000000 8.497588 0.000000\n0.000000 3.976355 13.483537\nSr B O\n8 64 104\ndirect\n0.501489 0.488853 0.279809 Sr\n0.998511 0.488853 0.779809 Sr\n0.742534 0.903911 0.958298 Sr\n0.498511 0.511147 0.720191 Sr\n0.001489 0.511147 0.220191 Sr\n0.757466 0.903911 0.458298 Sr\n0.257466 0.096089 0.041702 Sr\n0.242534 0.096089 0.541702 Sr\n0.900605 0.570203 0.525444 B\n0.345412 0.225117 0.315246 B\n0.214924 0.732637 0.269545 B\n0.465131 0.070978 0.386079 B\n0.845412 0.774883 0.184754 B\n0.913011 0.050263 0.554261 B\n0.316483 0.611829 0.384227 B\n0.524978 0.058311 0.844045 B\n0.850978 0.170023 0.259568 B\n0.285496 0.295985 0.751378 B\n0.149022 0.829977 0.740432 B\n0.587925 0.754448 0.144751 B\n0.329951 0.389851 0.137367 B\n0.875302 0.340345 0.465019 B\n0.965131 0.929022 0.113921 B\n0.891908 0.548492 0.971432 B\n0.153165 0.723281 0.024462 B\n0.714924 0.267363 0.230455 B\n0.446001 0.154485 0.602730 B\n0.350978 0.829977 0.240432 B\n0.586989 0.050263 0.054261 B\n0.475022 0.941689 0.155955 B\n0.670049 0.610149 0.862633 B\n0.683517 0.388171 0.615773 B\n0.214504 0.295985 0.251378 B\n0.890710 0.132210 0.848972 B\n0.624698 0.340345 0.965019 B\n0.412075 0.245552 0.855249 B\n0.599395 0.570203 0.025444 B\n0.785076 0.267363 0.730455 B\n0.946001 0.845515 0.897270 B\n0.912075 0.754448 0.644751 B\n0.154588 0.225117 0.815246 B\n0.534869 0.929022 0.613921 B\n0.390710 0.867790 0.651028 B\n0.087925 0.245552 0.355249 B\n0.816483 0.388171 0.115773 B\n0.829951 0.610149 0.362633 B\n0.285076 0.732637 0.769545 B\n0.034869 0.070978 0.886079 B\n0.608092 0.548492 0.471432 B\n0.609290 0.132210 0.348972 B\n0.400605 0.429797 0.974556 B\n0.346835 0.723281 0.524462 B\n0.024978 0.941689 0.655955 B\n0.714504 0.704015 0.248622 B\n0.975022 0.058311 0.344045 B\n0.170049 0.389851 0.637367 B\n0.553999 0.845515 0.397270 B\n0.785496 0.704015 0.748622 B\n0.053999 0.154485 0.102730 B\n0.109290 0.867790 0.151028 B\n0.375302 0.659655 0.034981 B\n0.649022 0.170023 0.759568 B\n0.846835 0.276719 0.975538 B\n0.099395 0.429797 0.474556 B\n0.413011 0.949737 0.945739 B\n0.391908 0.451508 0.528568 B\n0.654588 0.774883 0.684754 B\n0.086989 0.949737 0.445739 B\n0.183517 0.611829 0.884227 B\n0.108092 0.451508 0.028568 B\n0.124698 0.659655 0.534981 B\n0.653165 0.276719 0.475538 B\n0.439856 0.322366 0.577724 O\n0.603576 0.413700 0.433547 O\n0.103576 0.586300 0.066453 O\n0.884757 0.950214 0.859239 O\n0.584194 0.408112 0.028817 O\n0.356113 0.331657 0.051634 O\n0.479157 0.904433 0.411853 O\n0.514198 0.075350 0.093435 O\n0.851351 0.546893 0.055749 O\n0.621808 0.309917 0.694205 O\n0.524935 0.180712 0.355933 O\n0.697544 0.274691 0.555634 O\n0.302456 0.725309 0.444366 O\n0.735384 0.773293 0.667136 O\n0.622609 0.899354 0.075503 O\n0.602090 0.040367 0.814709 O\n0.235384 0.226707 0.832864 O\n0.939856 0.677634 0.922276 O\n0.877391 0.899354 0.575503 O\n0.241606 0.592943 0.336439 O\n0.627475 0.170244 0.985027 O\n0.510734 0.793087 0.184849 O\n0.014198 0.924650 0.406565 O\n0.741606 0.407057 0.163561 O\n0.863069 0.241701 0.756012 O\n0.377391 0.100646 0.924497 O\n0.872525 0.170244 0.485027 O\n0.121808 0.690083 0.805795 O\n0.378192 0.690083 0.305795 O\n0.897910 0.040367 0.314709 O\n0.856113 0.668343 0.448366 O\n0.253506 0.335367 0.657251 O\n0.842208 0.151279 0.932620 O\n0.662675 0.432212 0.883061 O\n0.351351 0.453107 0.444251 O\n0.372525 0.829756 0.014973 O\n0.115243 0.049786 0.140761 O\n0.758394 0.407057 0.663561 O\n0.415806 0.591888 0.971183 O\n0.111706 0.124304 0.892738 O\n0.396424 0.586300 0.566453 O\n0.162675 0.567788 0.616939 O\n0.363623 0.314561 0.766280 O\n0.753506 0.664633 0.842749 O\n0.431101 0.379368 0.898068 O\n0.896424 0.413700 0.933547 O\n0.024935 0.819288 0.144067 O\n0.230017 0.859057 0.723567 O\n0.989266 0.793087 0.684849 O\n0.979157 0.095567 0.088147 O\n0.384757 0.049786 0.640761 O\n0.975065 0.180712 0.855933 O\n0.337325 0.567788 0.116939 O\n0.119878 0.313488 0.728911 O\n0.388294 0.124304 0.392738 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O\n0.258394 0.592943 0.836439 O\n0.802456 0.274691 0.055634 O\n0.520843 0.095567 0.588147 O\n0.769983 0.140943 0.276433 O\n0.880122 0.686512 0.271089 O\n0.102090 0.959633 0.685291 O\n0.197544 0.725309 0.944366 O\n0.560144 0.677634 0.422276 O\n0.246494 0.335367 0.157252 O\n0.931101 0.620632 0.601932 O\n0.863623 0.685439 0.733720 O\n0.068899 0.379368 0.398068 O\n0.157792 0.848721 0.067380 O\n0.143887 0.331657 0.551634 O\n0.136931 0.758299 0.243988 O\n0.648649 0.546893 0.555749 O\n",
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"formula_full": "Sr8 B64 O104",
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{
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"structure_string": "Mg4 H2 O5\n1.0\n1.529520 -2.649207 0.000000\n1.529520 2.649207 0.000000\n0.000000 0.000000 12.189851\nMg H O\n4 2 5\ndirect\n0.333333 0.666667 0.100217 Mg\n0.666667 0.333333 0.899783 Mg\n0.000000 0.000000 0.301501 Mg\n0.000000 0.000000 0.698499 Mg\n0.666667 0.333333 0.531456 H\n0.333333 0.666667 0.468544 H\n0.333333 0.666667 0.799371 O\n0.666667 0.333333 0.200629 O\n0.333333 0.666667 0.388970 O\n0.666667 0.333333 0.611030 O\n0.000000 0.000000 0.000000 O\n",
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{
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"formula_full": "Yb12 Cd72",
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"spacegroup": 71
},
{
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{
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"structure_string": "Ho4 Ge4 Ru2\n1.0\n2.146319 5.368404 0.000000\n-2.146319 5.368404 0.000000\n0.000000 4.813061 8.960377\nHo Ge Ru\n4 4 2\ndirect\n0.998990 0.998990 0.327843 Ho\n0.001010 0.001010 0.672157 Ho\n0.816179 0.816179 0.110001 Ho\n0.183821 0.183821 0.889999 Ho\n0.645022 0.645022 0.432576 Ge\n0.354978 0.354978 0.567424 Ge\n0.511897 0.511897 0.124594 Ge\n0.488103 0.488103 0.875406 Ge\n0.728576 0.728576 0.627180 Ru\n0.271424 0.271424 0.372820 Ru\n",
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{
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]
}