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{
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{
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{
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"structure_string": "Mg1 Ta4 As4 O20\n1.0\n0.000000 -5.535764 0.000000\n-12.146109 0.000000 -0.522741\n-0.288658 0.000000 -6.983795\nMg Ta As O\n1 4 4 20\ndirect\n0.250000 0.655043 0.869366 Mg\n0.750000 0.953958 0.861114 Ta\n0.250000 0.053286 0.184902 Ta\n0.250000 0.522783 0.275704 Ta\n0.750000 0.452278 0.642837 Ta\n0.750000 0.162053 0.472428 As\n0.250000 0.856652 0.572157 As\n0.250000 0.327267 0.937682 As\n0.750000 0.697493 0.175891 As\n0.750000 0.799409 0.983273 O\n0.250000 0.190973 0.995672 O\n0.250000 0.716028 0.604066 O\n0.750000 0.299878 0.480210 O\n0.501984 0.904744 0.674342 O\n0.498222 0.117982 0.354405 O\n0.475409 0.622068 0.098151 O\n0.001778 0.117982 0.354405 O\n0.497876 0.372882 0.816972 O\n0.998016 0.904744 0.674342 O\n0.002124 0.372882 0.816972 O\n0.024591 0.622068 0.098151 O\n0.750000 0.575629 0.761454 O\n0.250000 0.388541 0.156107 O\n0.250000 0.902957 0.333377 O\n0.750000 0.099811 0.703314 O\n0.999572 0.999382 0.027698 O\n0.000067 0.503145 0.451895 O\n0.500428 0.999382 0.027698 O\n0.499933 0.503145 0.451895 O\n",
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{
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"created_at": "2022-09-04T14:44:30.317123Z",
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"structure_string": "K1 Sr1 Gd1 W1 O6\n1.0\n0.000000 -4.222256 -4.222256\n4.222256 -0.000000 -4.222256\n4.222256 -4.222256 0.000000\nK Sr Gd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 W\n0.731335 0.268665 0.268665 O\n0.268665 0.731335 0.731335 O\n0.731335 0.268665 0.731335 O\n0.268665 0.731335 0.268665 O\n0.731335 0.731335 0.268665 O\n0.268665 0.268665 0.731335 O\n",
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{
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{
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"structure_string": "Cs8 Te4 O16\n1.0\n6.747130 0.000000 0.000000\n0.000000 8.739824 0.000000\n0.000000 0.000000 11.947660\nCs Te O\n8 4 16\ndirect\n0.750000 0.672639 0.415563 Cs\n0.250000 0.003519 0.285566 Cs\n0.750000 0.996481 0.714434 Cs\n0.250000 0.327361 0.584437 Cs\n0.250000 0.503519 0.214434 Cs\n0.250000 0.827361 0.915563 Cs\n0.750000 0.172639 0.084437 Cs\n0.750000 0.496481 0.785566 Cs\n0.750000 0.719139 0.078274 Te\n0.750000 0.219139 0.421726 Te\n0.250000 0.280861 0.921726 Te\n0.250000 0.780861 0.578274 Te\n0.750000 0.308048 0.562821 O\n0.525374 0.786309 0.152908 O\n0.250000 0.491934 0.929299 O\n0.250000 0.991934 0.570701 O\n0.474626 0.213691 0.847092 O\n0.750000 0.808048 0.937179 O\n0.250000 0.191952 0.062821 O\n0.474626 0.713691 0.652908 O\n0.025374 0.213691 0.847092 O\n0.974626 0.786309 0.152908 O\n0.974626 0.286309 0.347092 O\n0.750000 0.508066 0.070701 O\n0.525374 0.286309 0.347092 O\n0.025374 0.713691 0.652908 O\n0.250000 0.691952 0.437179 O\n0.750000 0.008066 0.429299 O\n",
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{
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"structure_string": "Li6 In2 Br12\n1.0\n5.916653 3.430551 0.000000\n-5.916653 3.430551 0.000000\n0.000000 2.376821 13.063992\nLi In Br\n6 2 12\ndirect\n0.660508 0.821112 0.000387 Li\n0.593002 0.406998 0.250000 Li\n0.178888 0.339492 0.499613 Li\n0.821112 0.660508 0.500387 Li\n0.406998 0.593002 0.750000 Li\n0.339492 0.178888 0.999613 Li\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.631628 0.139089 0.117885 Br\n0.949089 0.777891 0.119442 Br\n0.291084 0.459633 0.119157 Br\n0.540367 0.708916 0.380843 Br\n0.222109 0.050911 0.380558 Br\n0.860911 0.368372 0.382115 Br\n0.139089 0.631628 0.617885 Br\n0.459633 0.291084 0.619157 Br\n0.777891 0.949089 0.619442 Br\n0.708916 0.540367 0.880843 Br\n0.050911 0.222109 0.880558 Br\n0.368372 0.860911 0.882115 Br\n",
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{
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"elements": [
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],
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{
"id": "mp-14423",
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"structure_string": "Ca8 Ga16 S32\n1.0\n0.000000 10.138557 10.193524\n6.114587 0.000000 10.193524\n6.114587 10.138557 0.000000\nCa Ga S\n8 16 32\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.247812 0.247812 0.752188 Ca\n0.752188 0.752188 0.247812 Ca\n0.002188 0.002188 0.497812 Ca\n0.497812 0.497812 0.002188 Ca\n0.592552 0.156949 0.265890 Ga\n0.984609 0.265890 0.156949 Ga\n0.265890 0.984609 0.592552 Ga\n0.156949 0.592552 0.984609 Ga\n0.657448 0.093051 0.984110 Ga\n0.265391 0.984110 0.093051 Ga\n0.984110 0.265391 0.657448 Ga\n0.093051 0.657448 0.265391 Ga\n0.737835 0.013461 0.487998 Ga\n0.760706 0.487998 0.013461 Ga\n0.487998 0.760706 0.737835 Ga\n0.013461 0.737835 0.760706 Ga\n0.512165 0.236539 0.762002 Ga\n0.489294 0.762002 0.236539 Ga\n0.762002 0.489294 0.512165 Ga\n0.236539 0.512165 0.489294 Ga\n0.308561 0.438765 0.778076 S\n0.474598 0.778076 0.438765 S\n0.778076 0.474598 0.308561 S\n0.438765 0.308561 0.474598 S\n0.941439 0.811235 0.471924 S\n0.775402 0.471924 0.811235 S\n0.471924 0.775402 0.941439 S\n0.811235 0.941439 0.775402 S\n0.970193 0.782307 0.968179 S\n0.279322 0.968179 0.782307 S\n0.968179 0.279322 0.970193 S\n0.782307 0.970193 0.279322 S\n0.279807 0.467693 0.281821 S\n0.970678 0.281821 0.467693 S\n0.281821 0.970678 0.279807 S\n0.467693 0.279807 0.970678 S\n0.211868 0.209136 0.037792 S\n0.541205 0.037792 0.209136 S\n0.037792 0.541205 0.211868 S\n0.209136 0.211868 0.541205 S\n0.038132 0.040864 0.212208 S\n0.708795 0.212208 0.040864 S\n0.212208 0.708795 0.038132 S\n0.040864 0.038132 0.708795 S\n0.541555 0.538440 0.708568 S\n0.211437 0.708568 0.538440 S\n0.708568 0.211437 0.541555 S\n0.538440 0.541555 0.211437 S\n0.708445 0.711560 0.541432 S\n0.038563 0.541432 0.711560 S\n0.541432 0.038563 0.708445 S\n0.711560 0.708445 0.038563 S\n",
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"elements": [
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],
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"density": 3.235098458480485,
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"volume": 1263.8560776650252,
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"formula_full": "Ca8 Ga16 S32",
"formula_reduced": "Ca(GaS2)2",
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"updated_at": "2021-11-28T01:35:42.651000Z",
"spacegroup": 70
},
{
"id": "mp-770546",
"created_at": "2022-09-04T14:39:20.508607Z",
"structure_string": "Li8 Mn8 P8 O28 F8\n1.0\n6.774939 0.000000 0.000000\n0.000000 10.495000 0.000000\n0.000000 0.000000 11.259357\nLi Mn P O F\n8 8 8 28 8\ndirect\n0.519773 0.028109 0.789940 Li\n0.480227 0.471891 0.789940 Li\n0.980227 0.528109 0.710060 Li\n0.019773 0.971891 0.710060 Li\n0.980227 0.028109 0.289940 Li\n0.019773 0.471891 0.289940 Li\n0.519773 0.528109 0.210060 Li\n0.480227 0.971891 0.210060 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.250000 0.830788 Mn\n0.500000 0.750000 0.669212 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.250000 0.330788 Mn\n0.000000 0.750000 0.169212 Mn\n0.282813 0.749682 0.922563 P\n0.717187 0.750318 0.922563 P\n0.217187 0.249682 0.577437 P\n0.782813 0.250318 0.577437 P\n0.217187 0.749682 0.422563 P\n0.782813 0.750318 0.422563 P\n0.282813 0.249682 0.077437 P\n0.717187 0.250318 0.077437 P\n0.166397 0.325210 0.983358 O\n0.833603 0.174790 0.983358 O\n0.500000 0.750000 0.984355 O\n0.224361 0.609519 0.908174 O\n0.775639 0.890481 0.908174 O\n0.296701 0.820473 0.802928 O\n0.703299 0.679527 0.802928 O\n0.203299 0.320473 0.697072 O\n0.796701 0.179527 0.697072 O\n0.275639 0.109519 0.591826 O\n0.724361 0.390481 0.591826 O\n0.000000 0.250000 0.515645 O\n0.666397 0.674790 0.516642 O\n0.333603 0.825210 0.516642 O\n0.333603 0.325210 0.483358 O\n0.666397 0.174790 0.483358 O\n0.000000 0.750000 0.484355 O\n0.275639 0.609519 0.408174 O\n0.724361 0.890481 0.408174 O\n0.796701 0.679527 0.302928 O\n0.203299 0.820473 0.302928 O\n0.296701 0.320473 0.197072 O\n0.703299 0.179527 0.197072 O\n0.224361 0.109519 0.091826 O\n0.775639 0.390481 0.091826 O\n0.500000 0.250000 0.015645 O\n0.166397 0.825210 0.016642 O\n0.833603 0.674790 0.016642 O\n0.128106 0.063777 0.834024 F\n0.871894 0.436223 0.834024 F\n0.371894 0.563777 0.665976 F\n0.628106 0.936223 0.665976 F\n0.371894 0.063777 0.334024 F\n0.628106 0.436223 0.334024 F\n0.128106 0.563777 0.165976 F\n0.871894 0.936223 0.165976 F\n",
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],
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"volume": 800.5738896850703,
"volume_molar": 8.035281087440342,
"formula_full": "Li8 Mn8 P8 O28 F8",
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{
"id": "mp-759017",
"created_at": "2022-09-04T14:48:06.741210Z",
"structure_string": "Li2 Mn2 P8 O24\n1.0\n3.611655 8.438083 0.000000\n-3.611655 8.438083 0.000000\n0.000000 6.288790 8.288592\nLi Mn P O\n2 2 8 24\ndirect\n0.646261 0.353739 0.250000 Li\n0.353739 0.646261 0.750000 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.443677 0.293561 0.100552 P\n0.034465 0.658178 0.207767 P\n0.341822 0.965535 0.292233 P\n0.706439 0.556323 0.399448 P\n0.293561 0.443677 0.600552 P\n0.658178 0.034465 0.707767 P\n0.965535 0.341822 0.792233 P\n0.556323 0.706439 0.899448 P\n0.998806 0.760032 0.041573 O\n0.634967 0.166813 0.151683 O\n0.376163 0.141115 0.145658 O\n0.241116 0.430256 0.229715 O\n0.566031 0.574863 0.066432 O\n0.569744 0.758884 0.270285 O\n0.858885 0.623837 0.354342 O\n0.185748 0.960732 0.280765 O\n0.833187 0.365033 0.348317 O\n0.039268 0.814252 0.219235 O\n0.239968 0.001194 0.458427 O\n0.425137 0.433969 0.433568 O\n0.574863 0.566031 0.566432 O\n0.760032 0.998806 0.541573 O\n0.960732 0.185748 0.780765 O\n0.166813 0.634967 0.651683 O\n0.814252 0.039268 0.719235 O\n0.141115 0.376163 0.645658 O\n0.430256 0.241116 0.729715 O\n0.433969 0.425137 0.933568 O\n0.758884 0.569744 0.770285 O\n0.623837 0.858885 0.854342 O\n0.365033 0.833187 0.848317 O\n0.001194 0.239968 0.958427 O\n",
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"formula_full": "Li2 Mn2 P8 O24",
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"spacegroup": 15
}
]
}