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{
"id": "mp-1120729",
"created_at": "2022-09-04T14:47:18.684951Z",
"structure_string": "Rb4 Ge4 Cl12\n1.0\n7.437497 0.000000 0.000000\n0.000000 8.028934 0.000000\n0.000000 0.000000 10.930080\nRb Ge Cl\n4 4 12\ndirect\n0.974854 0.424274 0.750128 Rb\n0.474854 0.075726 0.250128 Rb\n0.525146 0.924274 0.750128 Rb\n0.025146 0.575726 0.250128 Rb\n0.485598 0.469592 0.519688 Ge\n0.514402 0.530408 0.019688 Ge\n0.014402 0.969592 0.519688 Ge\n0.985598 0.030408 0.019688 Ge\n0.330024 0.777882 0.039813 Cl\n0.169976 0.277882 0.039813 Cl\n0.830024 0.722118 0.539813 Cl\n0.285869 0.819235 0.470926 Cl\n0.214131 0.319235 0.470926 Cl\n0.785869 0.680765 0.970926 Cl\n0.427982 0.497467 0.734644 Cl\n0.714131 0.180765 0.970926 Cl\n0.927982 0.002533 0.234644 Cl\n0.572018 0.502533 0.234644 Cl\n0.072018 0.997467 0.734644 Cl\n0.669976 0.222118 0.539813 Cl\n",
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{
"id": "mp-1213194",
"created_at": "2022-09-04T14:47:16.881995Z",
"structure_string": "Cu4 Te4 Se4 Br4\n1.0\n4.996325 0.000000 0.000000\n0.000000 8.187877 0.000000\n0.000000 5.484668 11.215981\nCu Te Se Br\n4 4 4 4\ndirect\n0.866728 0.811600 0.250022 Cu\n0.133272 0.188400 0.749978 Cu\n0.366728 0.188400 0.249978 Cu\n0.633272 0.811600 0.750022 Cu\n0.510417 0.716486 0.144249 Te\n0.489583 0.283514 0.855751 Te\n0.010417 0.283514 0.355751 Te\n0.989583 0.716486 0.644249 Te\n0.703890 0.418065 0.158972 Se\n0.296110 0.581935 0.841028 Se\n0.203890 0.581935 0.341028 Se\n0.796110 0.418065 0.658972 Se\n0.642532 0.915528 0.384828 Br\n0.357468 0.084472 0.615172 Br\n0.142532 0.084472 0.115172 Br\n0.857468 0.915528 0.884828 Br\n",
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"elements": [
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"density": 5.066759447471322,
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"volume": 458.8378704189158,
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"formula_full": "Cu4 Te4 Se4 Br4",
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"spacegroup": 14
},
{
"id": "mp-699284",
"created_at": "2022-09-04T14:47:18.695295Z",
"structure_string": "Li16 H8 N8\n1.0\n-3.550015 3.564940 5.044472\n3.550015 -3.564940 5.044472\n3.550015 3.564940 -5.044472\nLi H N\n16 8 8\ndirect\n0.367211 0.117211 0.250000 Li\n0.632789 0.882789 0.750000 Li\n0.873563 0.623563 0.250000 Li\n0.126437 0.376437 0.750000 Li\n0.644131 0.394131 0.250000 Li\n0.355869 0.605869 0.750000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.892009 0.151154 0.274271 Li\n0.107991 0.382261 0.259145 Li\n0.376884 0.151154 0.759145 Li\n0.623116 0.382261 0.774271 Li\n0.623116 0.848846 0.240855 Li\n0.376884 0.617739 0.225729 Li\n0.107991 0.848846 0.725729 Li\n0.892009 0.617739 0.740855 Li\n0.199479 0.808520 0.109041 H\n0.800521 0.909563 0.609041 H\n0.199479 0.090437 0.390959 H\n0.800521 0.191480 0.890959 H\n0.887295 0.805432 0.081863 H\n0.112705 0.194568 0.918137 H\n0.223569 0.805432 0.418137 H\n0.776431 0.194568 0.581863 H\n0.741299 0.731119 0.489821 N\n0.258701 0.748522 0.989821 N\n0.741299 0.251478 0.010179 N\n0.258701 0.268881 0.510179 N\n0.728605 0.259384 0.469221 N\n0.271395 0.740616 0.530779 N\n0.290163 0.259384 0.030779 N\n0.709837 0.740616 0.969221 N\n",
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],
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"density_atomic": 0.1253117682584952,
"volume": 255.36308716025673,
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"formula_full": "Li16 H8 N8",
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},
{
"id": "mp-1213446",
"created_at": "2022-09-04T14:47:13.386945Z",
"structure_string": "K4 Fe6 S12 O76\n1.0\n4.857044 -8.412647 0.000000\n4.857044 8.412647 0.000000\n0.000000 0.000000 19.117945\nK Fe S O\n4 6 12 76\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.819757 0.040291 0.750000 Fe\n0.180243 0.959709 0.250000 Fe\n0.220534 0.180243 0.750000 Fe\n0.779466 0.819757 0.250000 Fe\n0.959709 0.779466 0.750000 Fe\n0.040291 0.220534 0.250000 Fe\n0.677759 0.735097 0.860469 S\n0.322241 0.264903 0.139531 S\n0.057339 0.322241 0.860469 S\n0.322241 0.264903 0.360469 S\n0.942661 0.677759 0.139531 S\n0.677759 0.735097 0.639531 S\n0.264903 0.942661 0.860469 S\n0.942661 0.677759 0.360469 S\n0.735097 0.057339 0.139531 S\n0.057339 0.322241 0.639531 S\n0.735097 0.057339 0.360469 S\n0.264903 0.942661 0.639531 S\n0.666667 0.333333 0.880506 O\n0.333333 0.666667 0.119494 O\n0.333333 0.666667 0.380506 O\n0.666667 0.333333 0.619494 O\n0.722563 0.774567 0.933588 O\n0.277437 0.225433 0.066412 O\n0.052004 0.277437 0.933588 O\n0.277437 0.225433 0.433588 O\n0.947996 0.722563 0.066412 O\n0.722563 0.774567 0.566412 O\n0.225433 0.947996 0.933588 O\n0.947996 0.722563 0.433588 O\n0.774567 0.052004 0.066412 O\n0.052004 0.277437 0.566412 O\n0.774567 0.052004 0.433588 O\n0.225433 0.947996 0.566412 O\n0.630709 0.092868 0.750000 O\n0.369291 0.907132 0.250000 O\n0.462159 0.369291 0.750000 O\n0.537841 0.630709 0.250000 O\n0.907132 0.537841 0.750000 O\n0.092868 0.462159 0.250000 O\n0.642958 0.143931 0.941065 O\n0.357042 0.856069 0.058935 O\n0.500973 0.357042 0.941065 O\n0.357042 0.856069 0.441065 O\n0.499027 0.642958 0.058935 O\n0.642958 0.143931 0.558935 O\n0.856069 0.499027 0.941065 O\n0.499027 0.642958 0.441065 O\n0.143931 0.500973 0.058935 O\n0.500973 0.357042 0.558935 O\n0.143931 0.500973 0.441065 O\n0.856069 0.499027 0.558935 O\n0.515922 0.601475 0.850559 O\n0.484078 0.398525 0.149441 O\n0.085552 0.484078 0.850559 O\n0.484078 0.398525 0.350559 O\n0.914448 0.515922 0.149441 O\n0.515922 0.601475 0.649441 O\n0.398525 0.914448 0.850559 O\n0.914448 0.515922 0.350559 O\n0.601475 0.085552 0.149441 O\n0.085552 0.484078 0.649441 O\n0.601475 0.085552 0.350559 O\n0.398525 0.914448 0.649441 O\n0.901576 0.205635 0.825990 O\n0.098424 0.794365 0.174010 O\n0.304059 0.098424 0.825990 O\n0.098424 0.794365 0.325990 O\n0.695941 0.901576 0.174010 O\n0.901576 0.205635 0.674010 O\n0.794365 0.695941 0.825990 O\n0.695941 0.901576 0.325990 O\n0.205635 0.304059 0.174010 O\n0.304059 0.098424 0.674010 O\n0.205635 0.304059 0.325990 O\n0.794365 0.695941 0.674010 O\n0.666667 0.333333 0.499912 O\n0.333333 0.666667 0.500088 O\n0.333333 0.666667 0.999912 O\n0.666667 0.333333 0.000088 O\n0.689743 0.878968 0.823739 O\n0.310257 0.121032 0.176261 O\n0.189225 0.310257 0.823739 O\n0.310257 0.121032 0.323739 O\n0.810775 0.689743 0.176261 O\n0.689743 0.878968 0.676261 O\n0.121032 0.810775 0.823739 O\n0.810775 0.689743 0.323739 O\n0.878968 0.189225 0.176261 O\n0.189225 0.310257 0.676261 O\n0.878968 0.189225 0.323739 O\n0.121032 0.810775 0.676261 O\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
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"formula_full": "K4 Fe6 S12 O76",
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{
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"structure_string": "Te7 O6 F30\n1.0\n9.756682 -4.562158 0.000000\n9.756682 4.562158 0.000000\n7.623448 0.000000 7.608494\nTe O F\n7 6 30\ndirect\n0.767894 0.391700 0.080954 Te\n0.608300 0.919046 0.232106 Te\n0.391700 0.080954 0.767894 Te\n0.919046 0.232106 0.608300 Te\n0.000000 0.000000 0.000000 Te\n0.232106 0.608300 0.919046 Te\n0.080954 0.767894 0.391700 Te\n0.076371 0.756583 0.050050 O\n0.243417 0.949950 0.923629 O\n0.050050 0.076371 0.756583 O\n0.949950 0.923629 0.243417 O\n0.756583 0.050050 0.076371 O\n0.923629 0.243417 0.949950 O\n0.052891 0.366727 0.458823 F\n0.909284 0.520939 0.910775 F\n0.458823 0.052891 0.366727 F\n0.801791 0.379054 0.458584 F\n0.947109 0.633273 0.541177 F\n0.910775 0.909284 0.520939 F\n0.633273 0.541177 0.947109 F\n0.379054 0.458584 0.801791 F\n0.266822 0.252549 0.621759 F\n0.520939 0.910775 0.909284 F\n0.090716 0.479061 0.089225 F\n0.541177 0.947109 0.633273 F\n0.198209 0.620946 0.541416 F\n0.620946 0.541416 0.198209 F\n0.541416 0.198209 0.620946 F\n0.252549 0.621759 0.266822 F\n0.733178 0.747451 0.378241 F\n0.378241 0.733178 0.747451 F\n0.215037 0.901065 0.249735 F\n0.901065 0.249735 0.215037 F\n0.750265 0.784963 0.098935 F\n0.479061 0.089225 0.090716 F\n0.098935 0.750265 0.784963 F\n0.458584 0.801791 0.379054 F\n0.784963 0.098935 0.750265 F\n0.089225 0.090716 0.479061 F\n0.366727 0.458823 0.052891 F\n0.747451 0.378241 0.733178 F\n0.249735 0.215037 0.901065 F\n0.621759 0.266822 0.252549 F\n",
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{
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{
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{
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