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{
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{
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"structure_string": "Yb12 Si8 Cl4 O32\n1.0\n6.252856 0.010613 0.007981\n0.011723 6.955592 -0.024092\n0.022093 -0.061870 18.064142\nYb Si Cl O\n12 8 4 32\ndirect\n0.128834 0.016597 0.094061 Yb\n0.627565 0.481125 0.905453 Yb\n0.370217 0.519129 0.405841 Yb\n0.884598 0.287317 0.249793 Yb\n0.115156 0.711332 0.749805 Yb\n0.617573 0.789232 0.248718 Yb\n0.868402 0.981531 0.905259 Yb\n0.382349 0.211077 0.750339 Yb\n0.376593 0.519652 0.095171 Yb\n0.124477 0.025425 0.405622 Yb\n0.629182 0.479511 0.594386 Yb\n0.874511 0.975471 0.593960 Yb\n0.632468 0.015265 0.397702 Si\n0.629574 0.014964 0.101450 Si\n0.366251 0.985424 0.898747 Si\n0.369093 0.982160 0.601377 Si\n0.129598 0.479191 0.601287 Si\n0.873125 0.512866 0.100904 Si\n0.870881 0.523203 0.399640 Si\n0.128722 0.487268 0.899857 Si\n0.233888 0.572476 0.249650 Cl\n0.733912 0.929239 0.749632 Cl\n0.270112 0.075823 0.250298 Cl\n0.765191 0.426767 0.750402 Cl\n0.287006 0.469265 0.827779 O\n0.034389 0.332101 0.117387 O\n0.030177 0.341653 0.381612 O\n0.716356 0.510152 0.472136 O\n0.526576 0.800257 0.908559 O\n0.780383 0.001793 0.027818 O\n0.789537 0.030344 0.325771 O\n0.033059 0.706056 0.409401 O\n0.969690 0.660833 0.618604 O\n0.528512 0.164860 0.618195 O\n0.970140 0.301498 0.910190 O\n0.289003 0.464983 0.673148 O\n0.283423 0.488942 0.528403 O\n0.468337 0.835833 0.118385 O\n0.215845 0.993903 0.528701 O\n0.211413 0.967884 0.673610 O\n0.783362 0.006676 0.471071 O\n0.209199 0.002082 0.970678 O\n0.036594 0.694441 0.090548 O\n0.791852 0.030704 0.172295 O\n0.530923 0.163485 0.882849 O\n0.967783 0.296304 0.590685 O\n0.719193 0.498124 0.028330 O\n0.284774 0.507301 0.972030 O\n0.209083 0.969539 0.826537 O\n0.962901 0.664244 0.883291 O\n0.464801 0.194789 0.407639 O\n0.534958 0.801302 0.592130 O\n0.468589 0.198808 0.090874 O\n0.710139 0.537390 0.327777 O\n0.473772 0.831556 0.381107 O\n0.715967 0.530854 0.173105 O\n",
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{
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"structure_string": "Ca9 Al6 O18\n1.0\n7.667807 0.000000 0.000000\n0.000000 7.667807 0.000000\n0.000000 0.000000 7.667807\nCa Al O\n9 6 18\ndirect\n0.792239 0.792239 0.207761 Ca\n0.207761 0.207761 0.792239 Ca\n0.792239 0.792239 0.792239 Ca\n0.792239 0.207761 0.207761 Ca\n0.500000 0.500000 0.500000 Ca\n0.792239 0.207761 0.792239 Ca\n0.207761 0.792239 0.792239 Ca\n0.207761 0.792239 0.207761 Ca\n0.207761 0.207761 0.207761 Ca\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.733252 O\n0.000000 0.266748 0.000000 O\n0.000000 0.500000 0.737295 O\n0.500000 0.737295 0.000000 O\n0.262705 0.000000 0.500000 O\n0.737295 0.000000 0.500000 O\n0.733252 0.000000 0.000000 O\n0.000000 0.000000 0.266748 O\n0.000000 0.500000 0.262705 O\n0.500000 0.262705 0.000000 O\n0.000000 0.737295 0.500000 O\n0.500000 0.000000 0.737295 O\n0.262705 0.500000 0.000000 O\n0.266748 0.000000 0.000000 O\n0.000000 0.733252 0.000000 O\n0.000000 0.262705 0.500000 O\n0.737295 0.500000 0.000000 O\n0.500000 0.000000 0.262705 O\n",
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{
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{
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{
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{
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"updated_at": "2021-11-28T01:34:45.042000Z",
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},
{
"id": "mp-1204059",
"created_at": "2022-09-04T14:39:05.620368Z",
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Ag\n0.903864 0.759685 0.645980 Ag\n0.687852 0.214643 0.188717 Ag\n0.187852 0.785357 0.311283 Ag\n0.312148 0.785357 0.811283 Ag\n0.812148 0.214643 0.688717 Ag\n0.654188 0.251518 0.328308 Ag\n0.154188 0.748482 0.171692 Ag\n0.345812 0.748482 0.671692 Ag\n0.845812 0.251518 0.828308 Ag\n0.857646 0.540635 0.352850 Ag\n0.357646 0.459365 0.147150 Ag\n0.142354 0.459365 0.647150 Ag\n0.642354 0.540635 0.852850 Ag\n0.009512 0.453950 0.255500 P\n0.509512 0.546050 0.244500 P\n0.990488 0.546050 0.744500 P\n0.490488 0.453950 0.755500 P\n0.004846 0.049307 0.245411 P\n0.504846 0.950693 0.254589 P\n0.995154 0.950693 0.754589 P\n0.495154 0.049307 0.745411 P\n0.888648 0.520922 0.164892 P\n0.388648 0.479078 0.335108 P\n0.111352 0.479078 0.835108 P\n0.611352 0.520922 0.664892 P\n0.882340 0.970968 0.334456 P\n0.382340 0.029032 0.165544 P\n0.117660 0.029032 0.665544 P\n0.617660 0.970968 0.834456 P\n0.408537 0.257059 0.442002 P\n0.908537 0.742941 0.057998 P\n0.591463 0.742941 0.557998 P\n0.091463 0.257059 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O\n0.660534 0.892175 0.234997 O\n0.839466 0.892175 0.734997 O\n0.339466 0.107825 0.765003 O\n0.888230 0.427450 0.211013 O\n0.388230 0.572550 0.288987 O\n0.111770 0.572550 0.788987 O\n0.611770 0.427450 0.711013 O\n0.880285 0.069434 0.289591 O\n0.380285 0.930566 0.210409 O\n0.119715 0.930566 0.710409 O\n0.619715 0.069434 0.789591 O\n0.845029 0.670871 0.182131 O\n0.345029 0.329129 0.317869 O\n0.154971 0.329129 0.817869 O\n0.654971 0.670871 0.682131 O\n0.830699 0.823848 0.316361 O\n0.330699 0.176152 0.183639 O\n0.169301 0.176152 0.683639 O\n0.669301 0.823848 0.816361 O\n0.052083 0.514407 0.143506 O\n0.552083 0.485593 0.356494 O\n0.947917 0.485593 0.856494 O\n0.447917 0.514407 0.643506 O\n0.046627 0.973098 0.354754 O\n0.546627 0.026902 0.145246 O\n0.953373 0.026902 0.645246 O\n0.453373 0.973098 0.854754 O\n0.757920 0.453662 0.134472 O\n0.257920 0.546338 0.365528 O\n0.242080 0.546338 0.865528 O\n0.742080 0.453662 0.634472 O\n0.754152 0.039180 0.366084 O\n0.254152 0.960820 0.133916 O\n0.245848 0.960820 0.633916 O\n0.745848 0.039180 0.866084 O\n0.576446 0.228778 0.423817 O\n0.076446 0.771222 0.076183 O\n0.423554 0.771222 0.576183 O\n0.923554 0.228778 0.923817 O\n0.922837 0.271262 0.574471 O\n0.422837 0.728738 0.925529 O\n0.077163 0.728738 0.425529 O\n0.577163 0.271262 0.074471 O\n0.377340 0.414289 0.449545 O\n0.877340 0.585711 0.050455 O\n0.622660 0.585711 0.550455 O\n0.122660 0.414289 0.949545 O\n0.119779 0.083539 0.548910 O\n0.619779 0.916461 0.951090 O\n0.880221 0.916461 0.451090 O\n0.380221 0.083539 0.048910 O\n0.282152 0.182673 0.413734 O\n0.782152 0.817327 0.086266 O\n0.717848 0.817327 0.586266 O\n0.217848 0.182673 0.913734 O\n0.215404 0.314675 0.584640 O\n0.715404 0.685325 0.915360 O\n0.784596 0.685325 0.415360 O\n0.284596 0.314675 0.084640 O\n0.593711 0.799629 0.504999 O\n0.093711 0.200371 0.995001 O\n0.406289 0.200371 0.495001 O\n0.906289 0.799629 0.004999 O\n0.093574 0.296772 0.502808 O\n0.593574 0.703228 0.997192 O\n0.906426 0.703228 0.497192 O\n0.406426 0.296772 0.002808 O\n0.323360 0.901230 0.494096 O\n0.823360 0.098770 0.005904 O\n0.676640 0.098770 0.505904 O\n0.176640 0.901230 0.994096 O\n0.824859 0.403092 0.493896 O\n0.324859 0.596908 0.006104 O\n0.175141 0.596908 0.506104 O\n0.675141 0.403092 0.993896 O\n0.412011 0.695569 0.441135 O\n0.912011 0.304431 0.058865 O\n0.587989 0.304431 0.558865 O\n0.087989 0.695569 0.941135 O\n0.907596 0.198508 0.439272 O\n0.407596 0.801492 0.060728 O\n0.092404 0.801492 0.560728 O\n0.592404 0.198508 0.939272 O\n0.540175 0.926772 0.432806 O\n0.040175 0.073228 0.067194 O\n0.459825 0.073228 0.567194 O\n0.959825 0.926772 0.932806 O\n0.037997 0.428991 0.431285 O\n0.537997 0.571009 0.068715 O\n0.962003 0.571009 0.568715 O\n0.462003 0.428991 0.931285 O\n",
"nsites": 184,
"nelements": 4,
"elements": [
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"Ag",
"P",
"O"
],
"chemical_system": "Ag-Fe-O-P",
"density": 4.557973722148303,
"density_atomic": 0.07801866594436462,
"volume": 2358.409975007917,
"volume_molar": 7.718846108307478,
"formula_full": "Fe12 Ag28 P32 O112",
"formula_reduced": "Fe3Ag7(P2O7)4",
"formula_anonymous": "A3B7C8D28",
"energy": -1279.48295848,
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"formation_energy": null,
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"updated_at": "2021-11-28T01:34:33.579000Z",
"spacegroup": 14
},
{
"id": "mp-1228953",
"created_at": "2022-09-04T14:39:05.621749Z",
"structure_string": "Al4 Ga2 N6\n1.0\n1.577382 5.783143 0.000000\n-1.577382 5.783143 0.000000\n0.000000 1.911866 7.222200\nAl Ga N\n4 2 6\ndirect\n0.056189 0.056189 0.389080 Al\n0.111122 0.111122 0.776834 Al\n0.777511 0.777511 0.444756 Al\n0.445489 0.445489 0.112664 Al\n0.722310 0.722310 0.057920 Ga\n0.390370 0.390370 0.721742 Ga\n0.852293 0.852293 0.185126 N\n0.518718 0.518718 0.852724 N\n0.182136 0.182136 0.515322 N\n0.235195 0.235195 0.901408 N\n0.905310 0.905310 0.563996 N\n0.567993 0.567993 0.243229 N\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Al-Ga-N",
"density": 4.176547961642124,
"density_atomic": 0.09107117241948609,
"volume": 131.7650764912346,
"volume_molar": 6.612565315686513,
"formula_full": "Al4 Ga2 N6",
"formula_reduced": "Al2GaN3",
"formula_anonymous": "AB2C3",
"energy": -86.27258241999999,
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"updated_at": "2021-11-28T01:34:25.184000Z",
"spacegroup": 8
}
]
}