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{
"id": "mp-1183030",
"created_at": "2022-09-04T14:44:26.182065Z",
"structure_string": "Ag2 S16 N18 Cl4 O24\n1.0\n-7.183877 7.183877 7.243039\n7.183877 -7.183877 7.243039\n7.183877 7.183877 -7.243039\nAg S N Cl O\n2 16 18 4 24\ndirect\n0.750000 0.250000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.505861 0.130890 0.191059 S\n0.810169 0.119110 0.874971 S\n0.939831 0.314802 0.808941 S\n0.244139 0.935198 0.125029 S\n0.685198 0.494139 0.625029 S\n0.880890 0.755861 0.691059 S\n0.869110 0.060169 0.374971 S\n0.064802 0.189831 0.308941 S\n0.578588 0.450039 0.298644 S\n0.598605 0.799961 0.628549 S\n0.151395 0.279944 0.701356 S\n0.171412 0.970056 0.371451 S\n0.720056 0.421412 0.871451 S\n0.200039 0.828588 0.798644 S\n0.549961 0.848605 0.128549 S\n0.029944 0.401395 0.201356 S\n0.250000 0.750000 0.500000 N\n0.500000 0.500000 0.000000 N\n0.894235 0.394235 0.500000 N\n0.855765 0.855765 0.000000 N\n0.605765 0.105765 0.500000 N\n0.144235 0.144235 0.000000 N\n0.786124 0.625000 0.661124 N\n0.963876 0.125000 0.338876 N\n0.875000 0.213876 0.838876 N\n0.375000 0.036124 0.161124 N\n0.282862 0.741461 0.755676 N\n0.764215 0.508539 0.041402 N\n0.985785 0.527186 0.244324 N\n0.467138 0.722814 0.958598 N\n0.472814 0.717138 0.458598 N\n0.491461 0.532862 0.255676 N\n0.258539 0.014215 0.541402 N\n0.277186 0.235785 0.744324 N\n0.303368 0.125000 0.678368 Cl\n0.446632 0.625000 0.321632 Cl\n0.375000 0.696632 0.821632 Cl\n0.875000 0.553368 0.178368 Cl\n0.715653 0.549000 0.383210 O\n0.584210 0.701000 0.666652 O\n0.165790 0.332442 0.616790 O\n0.034347 0.917558 0.333348 O\n0.667558 0.284347 0.833348 O\n0.299000 0.965653 0.883210 O\n0.451000 0.834210 0.166652 O\n0.082442 0.415790 0.116790 O\n0.514206 0.394537 0.360568 O\n0.716031 0.855464 0.619669 O\n0.033969 0.153638 0.639432 O\n0.235794 0.096362 0.380331 O\n0.846362 0.485794 0.880331 O\n0.144537 0.764206 0.860568 O\n0.605463 0.966031 0.119669 O\n0.903638 0.283969 0.139432 O\n0.541046 0.356874 0.166874 O\n0.560000 0.893126 0.684172 O\n0.190000 0.374172 0.833126 O\n0.208954 0.875828 0.315828 O\n0.625828 0.458954 0.815828 O\n0.106874 0.791046 0.666874 O\n0.643126 0.810000 0.184172 O\n0.124172 0.440000 0.333126 O\n",
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"formula_full": "Ag2 S16 N18 Cl4 O24",
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"updated_at": "2021-11-28T01:36:37.677000Z",
"spacegroup": 122
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{
"id": "mp-14207",
"created_at": "2022-09-04T14:44:26.253011Z",
"structure_string": "Ba4 Zn8 Sb8\n1.0\n4.560167 0.000000 0.000000\n0.000000 10.710265 0.000000\n0.000000 0.000000 11.766505\nBa Zn Sb\n4 8 8\ndirect\n0.250000 0.747076 0.320072 Ba\n0.750000 0.252924 0.679928 Ba\n0.250000 0.247076 0.179928 Ba\n0.750000 0.752924 0.820072 Ba\n0.750000 0.402773 0.952601 Zn\n0.250000 0.597227 0.047399 Zn\n0.250000 0.097227 0.452601 Zn\n0.750000 0.902773 0.547399 Zn\n0.750000 0.945765 0.120021 Zn\n0.250000 0.054235 0.879979 Zn\n0.750000 0.445765 0.379979 Zn\n0.250000 0.554235 0.620021 Zn\n0.750000 0.650177 0.534814 Sb\n0.250000 0.349823 0.465186 Sb\n0.250000 0.849823 0.034814 Sb\n0.750000 0.150177 0.965186 Sb\n0.750000 0.525622 0.162233 Sb\n0.250000 0.474378 0.837767 Sb\n0.750000 0.025622 0.337767 Sb\n0.250000 0.974378 0.662233 Sb\n",
"nsites": 20,
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"elements": [
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"volume": 574.6831289712165,
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"formula_full": "Ba4 Zn8 Sb8",
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{
"id": "mp-9720",
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"structure_string": "Rb6 B2 P4\n1.0\n4.675377 4.847478 0.000000\n-4.675377 4.847478 0.000000\n0.000000 3.271181 8.848575\nRb B P\n6 2 4\ndirect\n0.345217 0.243474 0.980806 Rb\n0.756526 0.654783 0.519194 Rb\n0.654783 0.756526 0.019194 Rb\n0.243474 0.345217 0.480806 Rb\n0.155348 0.844652 0.750000 Rb\n0.844652 0.155348 0.250000 Rb\n0.216999 0.783001 0.250000 B\n0.783001 0.216999 0.750000 B\n0.343704 0.902132 0.353206 P\n0.097868 0.656296 0.146794 P\n0.902132 0.343704 0.853206 P\n0.656296 0.097868 0.646794 P\n",
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"formula_full": "Rb6 B2 P4",
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"spacegroup": 15
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{
"id": "mp-20179",
"created_at": "2022-09-04T14:44:26.277350Z",
"structure_string": "U4 V4 O20\n1.0\n4.118612 0.000000 0.000000\n0.000000 7.265472 0.000000\n0.000000 0.000000 12.640323\nU V O\n4 4 20\ndirect\n0.991591 0.750000 0.527680 U\n0.991591 0.250000 0.972320 U\n0.008409 0.250000 0.472320 U\n0.008409 0.750000 0.027680 U\n0.901127 0.500000 0.250000 V\n0.098873 0.000000 0.750000 V\n0.098873 0.500000 0.750000 V\n0.901127 0.000000 0.250000 V\n0.012955 0.448144 0.595579 O\n0.012955 0.551856 0.904421 O\n0.987045 0.948144 0.404421 O\n0.987045 0.051856 0.095579 O\n0.987045 0.551856 0.404421 O\n0.987045 0.448144 0.095579 O\n0.012955 0.051856 0.595579 O\n0.012955 0.948144 0.904421 O\n0.508309 0.750000 0.026841 O\n0.508309 0.250000 0.473159 O\n0.491691 0.250000 0.973159 O\n0.491691 0.750000 0.526841 O\n0.499741 0.000000 0.250000 O\n0.500259 0.500000 0.750000 O\n0.500259 0.000000 0.750000 O\n0.499741 0.500000 0.250000 O\n0.995764 0.750000 0.197509 O\n0.995764 0.250000 0.302491 O\n0.004236 0.250000 0.802491 O\n0.004236 0.750000 0.697509 O\n",
"nsites": 28,
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"elements": [
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{
"id": "mp-1215984",
"created_at": "2022-09-04T14:44:26.367957Z",
"structure_string": "Y1 Tm3 Sn4 Pd8\n1.0\n15.606611 -2.399082 0.000000\n15.606611 2.399082 0.000000\n15.237819 0.000000 4.138935\nY Tm Sn Pd\n1 3 4 8\ndirect\n0.500000 0.500000 0.500000 Y\n0.749993 0.749993 0.749993 Tm\n0.000000 0.000000 0.000000 Tm\n0.250007 0.250007 0.250007 Tm\n0.625003 0.625003 0.625003 Sn\n0.374997 0.374997 0.374997 Sn\n0.875107 0.875107 0.875107 Sn\n0.124893 0.124893 0.124893 Sn\n0.937517 0.937517 0.937517 Pd\n0.687475 0.687475 0.687475 Pd\n0.187991 0.187991 0.187991 Pd\n0.436967 0.436967 0.436967 Pd\n0.563033 0.563033 0.563033 Pd\n0.312525 0.312525 0.312525 Pd\n0.812009 0.812009 0.812009 Pd\n0.062483 0.062483 0.062483 Pd\n",
"nsites": 16,
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],
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"density": 10.296971267072122,
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"volume": 309.93619683832327,
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"formula_full": "Y1 Tm3 Sn4 Pd8",
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"spacegroup": 166
},
{
"id": "mp-568889",
"created_at": "2022-09-04T14:44:26.574879Z",
"structure_string": "Ag8 Se4\n1.0\n4.582241 0.000000 0.000000\n0.000000 7.348443 0.000000\n0.000000 0.000000 7.937636\nAg Se\n8 4\ndirect\n0.005544 0.102896 0.244146 Ag\n0.994456 0.102896 0.755854 Ag\n0.500000 0.609052 0.000000 Ag\n0.494456 0.897104 0.244146 Ag\n0.000000 0.390948 0.000000 Ag\n0.000000 0.385067 0.500000 Ag\n0.505544 0.897104 0.755854 Ag\n0.500000 0.614933 0.500000 Ag\n0.519981 0.294451 0.250649 Se\n0.480019 0.294451 0.749351 Se\n0.019981 0.705549 0.749351 Se\n0.980019 0.705549 0.250649 Se\n",
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"density": 7.323513446110628,
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{
"id": "mp-1201300",
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"structure_string": "Re4 Rh4 Br24 N20 Cl4\n1.0\n8.293983 0.000000 0.000000\n0.203985 11.544247 0.000000\n0.160042 3.896133 15.550239\nRe Rh Br N Cl\n4 4 24 20 4\ndirect\n0.246255 0.297453 0.636948 Re\n0.753745 0.702547 0.363052 Re\n0.752059 0.716651 0.860048 Re\n0.247941 0.283349 0.139952 Re\n0.266621 0.780211 0.142354 Rh\n0.733379 0.219789 0.857646 Rh\n0.242459 0.778822 0.618028 Rh\n0.757541 0.221178 0.381972 Rh\n0.255907 0.339308 0.480553 Br\n0.744093 0.660692 0.519447 Br\n0.030255 0.157396 0.640430 Br\n0.969745 0.842604 0.359570 Br\n0.450488 0.141571 0.647270 Br\n0.549512 0.858429 0.352730 Br\n0.458176 0.447389 0.633848 Br\n0.541824 0.552611 0.366152 Br\n0.044391 0.462164 0.627018 Br\n0.955609 0.537836 0.372982 Br\n0.237335 0.262527 0.795153 Br\n0.762665 0.737473 0.204847 Br\n0.739202 0.591474 0.753535 Br\n0.260798 0.408526 0.246465 Br\n0.766180 0.895894 0.741168 Br\n0.233820 0.104106 0.258832 Br\n0.459016 0.731666 0.857824 Br\n0.540984 0.268334 0.142176 Br\n0.738526 0.530669 0.975334 Br\n0.261474 0.469331 0.024666 Br\n0.045586 0.695981 0.856662 Br\n0.954414 0.304019 0.143338 Br\n0.766348 0.835774 0.964534 Br\n0.233652 0.164226 0.035466 Br\n0.272096 0.703225 0.247025 N\n0.727904 0.296775 0.752975 N\n0.107114 0.912196 0.135015 N\n0.892886 0.087804 0.864985 N\n0.095340 0.703863 0.087306 N\n0.904660 0.296137 0.912694 N\n0.421780 0.698871 0.078092 N\n0.578220 0.301129 0.921908 N\n0.433218 0.905197 0.126683 N\n0.566782 0.094803 0.873317 N\n0.235259 0.649491 0.695672 N\n0.764741 0.350509 0.304328 N\n0.285336 0.737727 0.506769 N\n0.714664 0.262273 0.493231 N\n0.016846 0.814452 0.575436 N\n0.983154 0.185548 0.424564 N\n0.204785 0.910342 0.678574 N\n0.795215 0.089658 0.321426 N\n0.473339 0.827236 0.612391 N\n0.526661 0.172764 0.387609 N\n0.250689 0.897769 0.976222 Cl\n0.749311 0.102231 0.023778 Cl\n0.256143 0.982206 0.499309 Cl\n0.743857 0.017794 0.500691 Cl\n",
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"formula_full": "Re4 Rh4 Br24 N20 Cl4",
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},
{
"id": "mp-1110867",
"created_at": "2022-09-04T14:44:26.140939Z",
"structure_string": "K2 Li1 Nd1 Cl6\n1.0\n0.000000 5.287763 5.287763\n5.287763 0.000000 5.287763\n5.287763 5.287763 0.000000\nK Li Nd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nd\n0.742946 0.257054 0.257054 Cl\n0.257054 0.257054 0.742946 Cl\n0.257054 0.742946 0.742946 Cl\n0.257054 0.742946 0.257054 Cl\n0.742946 0.257054 0.742946 Cl\n0.742946 0.742946 0.257054 Cl\n",
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"formula_full": "K2 Li1 Nd1 Cl6",
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{
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{
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