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{
"id": "mp-21695",
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"structure_string": "Ce2 Ni24 B12\n1.0\n3.684114 -4.784501 0.000000\n3.684114 4.784501 0.000000\n0.000000 0.000000 10.983642\nCe Ni B\n2 24 12\ndirect\n0.831957 0.831957 0.497041 Ce\n0.168043 0.168043 0.997041 Ce\n0.145885 0.879571 0.755268 Ni\n0.120429 0.854115 0.255268 Ni\n0.342283 0.730564 0.067859 Ni\n0.657717 0.269436 0.567859 Ni\n0.269436 0.657717 0.567859 Ni\n0.879571 0.145885 0.755268 Ni\n0.630212 0.994743 0.937165 Ni\n0.369788 0.005257 0.437165 Ni\n0.005257 0.369788 0.437165 Ni\n0.994743 0.630212 0.937165 Ni\n0.528269 0.788696 0.276631 Ni\n0.471731 0.211304 0.776631 Ni\n0.211304 0.471731 0.776631 Ni\n0.788696 0.528269 0.276631 Ni\n0.196209 0.457831 0.233927 Ni\n0.803791 0.542169 0.733927 Ni\n0.542169 0.803791 0.733927 Ni\n0.457831 0.196209 0.233927 Ni\n0.218817 0.218817 0.597864 Ni\n0.781183 0.781183 0.097864 Ni\n0.436089 0.436089 0.418724 Ni\n0.563911 0.563911 0.918724 Ni\n0.730564 0.342283 0.067859 Ni\n0.854115 0.120429 0.255268 Ni\n0.013343 0.600978 0.122516 B\n0.986657 0.399022 0.622516 B\n0.244874 0.675330 0.385654 B\n0.755126 0.324670 0.885654 B\n0.324670 0.755126 0.885654 B\n0.675330 0.244874 0.385654 B\n0.487156 0.487156 0.655541 B\n0.512844 0.512844 0.155541 B\n0.836638 0.836638 0.835794 B\n0.163362 0.163362 0.335794 B\n0.399022 0.986657 0.622516 B\n0.600978 0.013343 0.122516 B\n",
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{
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{
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"created_at": "2022-09-04T14:39:07.926487Z",
"structure_string": "Er12 Ta4 O28\n1.0\n7.428583 0.000000 0.000000\n0.000000 7.507764 0.000000\n0.000000 0.000000 10.525805\nEr Ta O\n12 4 28\ndirect\n0.012454 0.795294 0.250000 Er\n0.251852 0.967841 0.519695 Er\n0.251852 0.967841 0.980305 Er\n0.248148 0.467841 0.019695 Er\n0.248148 0.467841 0.480305 Er\n0.487546 0.295294 0.750000 Er\n0.512454 0.704706 0.250000 Er\n0.751852 0.532159 0.519695 Er\n0.751852 0.532159 0.980305 Er\n0.748148 0.032159 0.019695 Er\n0.748148 0.032159 0.480305 Er\n0.987546 0.204706 0.750000 Er\n0.999393 0.747634 0.750000 Ta\n0.500607 0.247634 0.250000 Ta\n0.499393 0.752366 0.750000 Ta\n0.000607 0.252366 0.250000 Ta\n0.036174 0.045700 0.124030 O\n0.036174 0.045700 0.375970 O\n0.040110 0.582200 0.611711 O\n0.040110 0.582200 0.888289 O\n0.248495 0.336063 0.250000 O\n0.254964 0.731176 0.116005 O\n0.254964 0.731176 0.383995 O\n0.245036 0.231176 0.616005 O\n0.245036 0.231176 0.883995 O\n0.251505 0.836063 0.750000 O\n0.459890 0.082200 0.111711 O\n0.459890 0.082200 0.388289 O\n0.463826 0.545700 0.624030 O\n0.463826 0.545700 0.875970 O\n0.536174 0.454300 0.124030 O\n0.536174 0.454300 0.375970 O\n0.540110 0.917800 0.611711 O\n0.540110 0.917800 0.888289 O\n0.748495 0.163937 0.250000 O\n0.754964 0.768824 0.116005 O\n0.754964 0.768824 0.383995 O\n0.745036 0.268824 0.616005 O\n0.745036 0.268824 0.883995 O\n0.751505 0.663937 0.750000 O\n0.959890 0.417800 0.111711 O\n0.959890 0.417800 0.388289 O\n0.963826 0.954300 0.624030 O\n0.963826 0.954300 0.875970 O\n",
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"formula_full": "Er12 Ta4 O28",
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{
"id": "mp-1184301",
"created_at": "2022-09-04T14:39:06.938923Z",
"structure_string": "Ga6 Ag2\n1.0\n2.907178 -5.035381 0.000000\n2.907178 5.035381 0.000000\n0.000000 0.000000 5.142811\nGa Ag\n6 2\ndirect\n0.166501 0.333002 0.250000 Ga\n0.666998 0.833499 0.250000 Ga\n0.166501 0.833499 0.250000 Ga\n0.833499 0.666998 0.750000 Ga\n0.333002 0.166501 0.750000 Ga\n0.833499 0.166501 0.750000 Ga\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
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"formula_full": "Ga6 Ag2",
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{
"id": "mp-1094345",
"created_at": "2022-09-04T14:39:11.641268Z",
"structure_string": "Mg3 Ti3\n1.0\n1.497680 -7.970059 0.000000\n1.497680 7.970059 0.000000\n0.000000 0.000000 4.884232\nMg Ti\n3 3\ndirect\n0.336423 0.663577 0.000000 Mg\n0.109805 0.890195 0.500000 Mg\n0.776155 0.223845 0.500000 Mg\n0.005018 0.994982 0.000000 Ti\n0.652782 0.347218 0.000000 Ti\n0.453150 0.546850 0.500000 Ti\n",
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{
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"structure_string": "Cs2 In1 Ga1 F6\n1.0\n0.000000 4.682103 4.682103\n4.682103 0.000000 4.682103\n4.682103 4.682103 0.000000\nCs In Ga F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n0.726893 0.273107 0.273107 F\n0.273107 0.273107 0.726893 F\n0.273107 0.726893 0.726893 F\n0.273107 0.726893 0.273107 F\n0.726893 0.273107 0.726893 F\n0.726893 0.726893 0.273107 F\n",
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{
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{
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{
"id": "mp-1114159",
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"structure_string": "Rb3 As1 I6\n1.0\n0.000000 6.347934 6.347934\n6.347934 0.000000 6.347934\n6.347934 6.347934 0.000000\nRb As I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.773413 0.226587 0.226587 I\n0.226587 0.226587 0.773413 I\n0.226587 0.773413 0.773413 I\n0.226587 0.773413 0.226587 I\n0.773413 0.226587 0.773413 I\n0.773413 0.773413 0.226587 I\n",
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{
"id": "mp-579259",
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"structure_string": "Eu12 Be4 O20\n1.0\n6.576338 0.000000 0.000000\n0.000000 7.201756 0.000000\n0.000000 0.000000 9.524019\nEu Be O\n12 4 20\ndirect\n0.410597 0.750000 0.978470 Eu\n0.918225 0.520496 0.826399 Eu\n0.418225 0.020496 0.673601 Eu\n0.581775 0.979504 0.326399 Eu\n0.081775 0.479504 0.173601 Eu\n0.418225 0.479504 0.673601 Eu\n0.089403 0.750000 0.478470 Eu\n0.918225 0.979504 0.826399 Eu\n0.589403 0.250000 0.021530 Eu\n0.581775 0.520496 0.326399 Eu\n0.910597 0.250000 0.521530 Eu\n0.081775 0.020496 0.173601 Eu\n0.193292 0.250000 0.898286 Be\n0.806708 0.750000 0.101714 Be\n0.306708 0.250000 0.398286 Be\n0.693292 0.750000 0.601714 Be\n0.136462 0.250000 0.724919 O\n0.307584 0.443360 0.929334 O\n0.836685 0.250000 0.277823 O\n0.663315 0.250000 0.777823 O\n0.692416 0.943360 0.070666 O\n0.307584 0.056640 0.929334 O\n0.363538 0.250000 0.224919 O\n0.481692 0.750000 0.510255 O\n0.863538 0.750000 0.275081 O\n0.336685 0.750000 0.222177 O\n0.018308 0.750000 0.010255 O\n0.807584 0.556640 0.570666 O\n0.518308 0.250000 0.489745 O\n0.163315 0.750000 0.722177 O\n0.692416 0.556640 0.070666 O\n0.192416 0.443360 0.429334 O\n0.807584 0.943360 0.570666 O\n0.636462 0.750000 0.775081 O\n0.981692 0.250000 0.989745 O\n0.192416 0.056640 0.429334 O\n",
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"formula_full": "Bi2 Pb3 F12",
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}