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{
"id": "mp-541137",
"created_at": "2022-09-04T14:47:59.369254Z",
"structure_string": "Ba4 Cr8 O16\n1.0\n5.269249 -0.000007 -0.000016\n-0.000009 6.073312 -0.000010\n-0.000037 -0.000020 12.439630\nBa Cr O\n4 8 16\ndirect\n0.866308 0.250003 0.750001 Ba\n0.133166 0.750000 0.250000 Ba\n0.554093 0.250001 0.250002 Ba\n0.445734 0.749997 0.749995 Ba\n0.497372 0.249996 0.505660 Cr\n0.497360 0.250006 0.994351 Cr\n0.502197 0.750001 0.494374 Cr\n0.502190 0.750000 0.005612 Cr\n0.000288 0.499545 0.499981 Cr\n0.000270 0.000454 0.000023 Cr\n0.000280 0.000462 0.499980 Cr\n0.000279 0.499537 0.000019 Cr\n0.832729 0.749999 0.414713 O\n0.832718 0.750002 0.085281 O\n0.167034 0.250003 0.586311 O\n0.167031 0.249997 0.913691 O\n0.168805 0.750003 0.579577 O\n0.168791 0.749998 0.920420 O\n0.831786 0.250004 0.419672 O\n0.831786 0.250001 0.080335 O\n0.665432 0.502932 0.587861 O\n0.665424 0.997070 0.912139 O\n0.334521 0.002626 0.412002 O\n0.334516 0.497378 0.087999 O\n0.334517 0.497374 0.412000 O\n0.334516 0.002620 0.088001 O\n0.665428 0.997064 0.587861 O\n0.665429 0.502929 0.912140 O\n",
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{
"id": "mp-1079397",
"created_at": "2022-09-04T14:47:59.370479Z",
"structure_string": "Ho2 Zn2 Sn4\n1.0\n4.361909 0.000000 0.000000\n0.000000 4.361909 0.000000\n0.000000 0.000000 9.842417\nHo Zn Sn\n2 2 4\ndirect\n0.000000 0.500000 0.749903 Ho\n0.500000 0.000000 0.250097 Ho\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.311349 Sn\n0.500000 0.000000 0.688651 Sn\n",
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"updated_at": "2021-11-28T01:38:28.454000Z",
"spacegroup": 129
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{
"id": "mp-722790",
"created_at": "2022-09-04T14:47:59.388090Z",
"structure_string": "Ce4 P8 H8 O32\n1.0\n6.722429 0.000000 0.000000\n0.000000 7.089890 0.000000\n0.000000 0.000000 15.770470\nCe P H O\n4 8 8 32\ndirect\n0.365831 0.571757 0.274057 Ce\n0.865831 0.928243 0.725943 Ce\n0.634169 0.071757 0.225943 Ce\n0.134169 0.428243 0.774057 Ce\n0.388691 0.781373 0.071783 P\n0.888691 0.718627 0.928217 P\n0.611309 0.281373 0.428217 P\n0.111309 0.218627 0.571783 P\n0.831374 0.592774 0.233088 P\n0.331374 0.907226 0.766912 P\n0.168626 0.092774 0.266912 P\n0.668626 0.407226 0.733088 P\n0.209850 0.885102 0.072741 H\n0.709850 0.614898 0.927259 H\n0.790150 0.385102 0.427259 H\n0.290150 0.114898 0.572741 H\n0.882673 0.636601 0.148661 H\n0.382673 0.863399 0.851339 H\n0.117327 0.136601 0.351339 H\n0.617327 0.363399 0.648661 H\n0.357386 0.617421 0.138818 O\n0.857386 0.882579 0.861182 O\n0.642614 0.117421 0.361182 O\n0.142614 0.382579 0.638818 O\n0.548645 0.918024 0.113447 O\n0.048645 0.581976 0.886553 O\n0.451355 0.418024 0.386553 O\n0.951355 0.081976 0.613447 O\n0.440862 0.712370 0.985521 O\n0.940862 0.787630 0.014479 O\n0.559138 0.212370 0.514479 O\n0.059138 0.287630 0.485521 O\n0.023964 0.576006 0.284330 O\n0.523964 0.923994 0.715670 O\n0.976036 0.076006 0.215670 O\n0.476036 0.423994 0.784330 O\n0.689607 0.750819 0.268145 O\n0.189607 0.749181 0.731855 O\n0.310393 0.250819 0.231855 O\n0.810393 0.249181 0.768145 O\n0.696923 0.413430 0.234089 O\n0.196923 0.086570 0.765911 O\n0.303077 0.913430 0.265911 O\n0.803077 0.586570 0.734089 O\n0.363542 0.771323 0.456027 O\n0.863542 0.728677 0.543973 O\n0.636458 0.271323 0.043973 O\n0.136458 0.228677 0.956027 O\n0.903990 0.794217 0.473578 O\n0.403990 0.705783 0.526422 O\n0.096010 0.294217 0.026422 O\n0.596010 0.205783 0.973578 O\n",
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],
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"density": 2.9345018958649556,
"density_atomic": 0.06918197974735969,
"volume": 751.6408201947207,
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"formula_full": "Ce4 P8 H8 O32",
"formula_reduced": "CeP2(HO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -346.91475602,
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"updated_at": "2021-11-28T01:38:24.861000Z",
"spacegroup": 19
},
{
"id": "mp-1229305",
"created_at": "2022-09-04T14:47:59.397241Z",
"structure_string": "Ag28 H16 I8 O10 F20\n1.0\n-7.451341 0.000000 0.154755\n-0.014803 0.000000 -9.390679\n0.000000 -18.544010 0.000000\nAg H I O F\n28 16 8 10 20\ndirect\n0.334699 0.991371 0.231798 Ag\n0.836634 0.488393 0.271788 Ag\n0.663366 0.011607 0.771788 Ag\n0.165301 0.508629 0.731798 Ag\n0.349859 0.752407 0.014884 Ag\n0.863088 0.269215 0.490619 Ag\n0.636912 0.230785 0.990619 Ag\n0.150141 0.747593 0.514884 Ag\n0.684850 0.991454 0.289899 Ag\n0.187176 0.491747 0.211468 Ag\n0.312824 0.008253 0.711468 Ag\n0.815150 0.508546 0.789899 Ag\n0.092620 0.807603 0.340764 Ag\n0.591167 0.305040 0.157499 Ag\n0.908833 0.194960 0.657499 Ag\n0.407380 0.692397 0.840764 Ag\n0.046432 0.192091 0.341984 Ag\n0.550791 0.689940 0.159668 Ag\n0.949209 0.810060 0.659668 Ag\n0.453568 0.307909 0.841984 Ag\n0.427364 0.291561 0.339089 Ag\n0.928222 0.793907 0.163595 Ag\n0.571778 0.706093 0.663595 Ag\n0.072636 0.208439 0.839089 Ag\n0.480977 0.733035 0.332058 Ag\n0.979379 0.234747 0.170745 Ag\n0.520621 0.265253 0.670745 Ag\n0.019023 0.766965 0.832058 Ag\n0.118046 0.956576 0.054204 H\n0.623921 0.463487 0.445586 H\n0.876079 0.036513 0.945586 H\n0.381954 0.543424 0.554204 H\n0.001203 0.850562 0.004405 H\n0.516142 0.354619 0.496611 H\n0.983858 0.145381 0.996611 H\n0.498797 0.649438 0.504405 H\n0.702371 0.761600 0.960029 H\n0.220346 0.268394 0.543816 H\n0.279654 0.231606 0.043816 H\n0.797629 0.738400 0.460029 H\n0.635826 0.594511 0.945763 H\n0.144410 0.102159 0.553127 H\n0.355590 0.397841 0.053127 H\n0.864174 0.905489 0.445763 H\n0.362315 0.980971 0.397780 I\n0.860357 0.488157 0.107527 I\n0.639643 0.011843 0.607527 I\n0.137685 0.519029 0.897780 I\n0.625950 0.977590 0.133544 I\n0.127433 0.473406 0.371413 I\n0.372567 0.026594 0.871413 I\n0.874050 0.522410 0.633544 I\n0.616874 0.684001 0.975917 O\n0.124727 0.197264 0.529162 O\n0.375273 0.302736 0.029162 O\n0.883126 0.815999 0.475917 O\n0.088627 0.851557 0.047425 O\n0.603072 0.357705 0.453945 O\n0.896928 0.142295 0.953945 O\n0.411373 0.648443 0.547425 O\n0.452131 0.964808 0.001701 O\n0.047869 0.535192 0.501701 O\n0.984216 0.968876 0.761890 F\n0.481927 0.470872 0.739918 F\n0.018073 0.029128 0.239918 F\n0.515784 0.531124 0.261890 F\n0.681878 0.752911 0.793152 F\n0.184075 0.249019 0.708379 F\n0.315925 0.250981 0.208379 F\n0.818122 0.747089 0.293152 F\n0.876512 0.869061 0.940177 F\n0.392482 0.370010 0.562011 F\n0.107518 0.129990 0.062011 F\n0.623488 0.630939 0.440177 F\n0.219901 0.746897 0.213030 F\n0.711915 0.249042 0.285798 F\n0.788085 0.250958 0.785798 F\n0.280099 0.753103 0.713030 F\n0.338971 0.543755 0.092305 F\n0.845206 0.037978 0.400928 F\n0.654794 0.462022 0.900928 F\n0.161029 0.956245 0.592305 F\n",
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"formula_full": "Ag28 H16 I8 O10 F20",
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{
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"created_at": "2022-09-04T14:47:59.398158Z",
"structure_string": "La3 Zn1\n1.0\n-2.437615 2.437615 5.088724\n2.437615 -2.437615 5.088724\n2.437615 2.437615 -5.088724\nLa Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Zn\n",
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{
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"structure_string": "Ba1 Cd1 Hg2\n1.0\n-6.731160 6.764612 9.518818\n6.731160 -6.764612 9.518818\n6.731160 6.764612 -9.518818\nBa Cd Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Cd\n0.770506 0.000000 0.770506 Hg\n0.229494 0.000000 0.229494 Hg\n",
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{
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{
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"structure_string": "Nd4 Pd4 O10\n1.0\n6.653427 0.000000 0.000000\n0.000000 6.653427 0.000000\n0.000000 0.000000 5.626983\nNd Pd O\n4 4 10\ndirect\n0.107487 0.259512 0.000000 Nd\n0.892513 0.740488 0.000000 Nd\n0.259512 0.892513 0.500000 Nd\n0.740488 0.107487 0.500000 Nd\n0.595436 0.305099 0.000000 Pd\n0.404564 0.694901 0.000000 Pd\n0.305099 0.404564 0.500000 Pd\n0.694901 0.595436 0.500000 Pd\n0.401255 0.194785 0.258556 O\n0.598745 0.805215 0.741444 O\n0.598745 0.805215 0.258556 O\n0.194785 0.598745 0.758556 O\n0.401255 0.194785 0.741444 O\n0.805215 0.401255 0.241444 O\n0.805215 0.401255 0.758556 O\n0.194785 0.598745 0.241444 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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{
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{
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