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{
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"results": [
{
"id": "mp-865103",
"created_at": "2022-09-04T14:43:13.909436Z",
"structure_string": "Dy2 Ga6\n1.0\n3.134669 -5.429407 0.000000\n3.134669 5.429407 0.000000\n0.000000 0.000000 4.581081\nDy Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.148715 0.297429 0.250000 Ga\n0.702571 0.851285 0.250000 Ga\n0.148715 0.851285 0.250000 Ga\n0.851285 0.702571 0.750000 Ga\n0.297429 0.148715 0.750000 Ga\n0.851285 0.148715 0.750000 Ga\n",
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{
"id": "mp-1205478",
"created_at": "2022-09-04T14:43:13.914342Z",
"structure_string": "Sb16 Se80 F96\n1.0\n-0.027365 0.000000 -13.741546\n0.000000 -16.681615 0.000000\n-19.321396 0.000000 6.734984\nSb Se F\n16 80 96\ndirect\n0.504387 0.925842 0.130637 Sb\n0.995613 0.425842 0.869363 Sb\n0.495613 0.074158 0.869363 Sb\n0.004387 0.574158 0.130637 Sb\n0.457201 0.401221 0.857102 Sb\n0.042799 0.901221 0.142898 Sb\n0.542799 0.598779 0.142898 Sb\n0.957201 0.098779 0.857102 Sb\n0.402570 0.924722 0.633222 Sb\n0.097430 0.424722 0.366778 Sb\n0.597429 0.075278 0.366778 Sb\n0.902571 0.575278 0.633222 Sb\n0.336796 0.595938 0.638735 Sb\n0.163204 0.095938 0.361265 Sb\n0.663204 0.404062 0.361265 Sb\n0.836796 0.904062 0.638735 Sb\n0.462004 0.259334 0.484266 Se\n0.037996 0.759334 0.515734 Se\n0.537996 0.740666 0.515734 Se\n0.962004 0.240666 0.484266 Se\n0.436976 0.387920 0.535085 Se\n0.063024 0.887920 0.464915 Se\n0.563024 0.612080 0.464915 Se\n0.936976 0.112080 0.535085 Se\n0.602286 0.427634 0.596228 Se\n0.897714 0.927634 0.403772 Se\n0.397714 0.572366 0.403772 Se\n0.102286 0.072366 0.596228 Se\n0.614520 0.388084 0.711191 Se\n0.885480 0.888084 0.288809 Se\n0.385480 0.611916 0.288809 Se\n0.114520 0.111916 0.711191 Se\n0.735009 0.287190 0.735604 Se\n0.764991 0.787190 0.264396 Se\n0.264991 0.712810 0.264396 Se\n0.235009 0.212810 0.735604 Se\n0.634266 0.162398 0.709862 Se\n0.865734 0.662398 0.290138 Se\n0.365734 0.837602 0.290138 Se\n0.134266 0.337602 0.709862 Se\n0.454899 0.217302 0.660749 Se\n0.045101 0.717302 0.339251 Se\n0.545101 0.782698 0.339251 Se\n0.954899 0.282698 0.660749 Se\n0.401842 0.160824 0.554095 Se\n0.098158 0.660824 0.445905 Se\n0.598158 0.839176 0.445905 Se\n0.901842 0.339176 0.554095 Se\n0.648252 0.237014 0.543022 Se\n0.851748 0.737014 0.456978 Se\n0.351748 0.762986 0.456978 Se\n0.148252 0.262986 0.543022 Se\n0.649648 0.118576 0.599471 Se\n0.850352 0.618576 0.400529 Se\n0.350352 0.881424 0.400529 Se\n0.149648 0.381424 0.599471 Se\n0.277092 0.257924 0.979627 Se\n0.222908 0.757924 0.020373 Se\n0.722908 0.742076 0.020373 Se\n0.777092 0.242076 0.979627 Se\n0.355214 0.384883 0.033100 Se\n0.144786 0.884883 0.966900 Se\n0.644786 0.615117 0.966900 Se\n0.855214 0.115117 0.033100 Se\n0.253328 0.422513 0.097130 Se\n0.246672 0.922513 0.902870 Se\n0.746672 0.577487 0.902870 Se\n0.753328 0.077487 0.097130 Se\n0.352555 0.377394 0.210472 Se\n0.147445 0.877394 0.789528 Se\n0.647445 0.622606 0.789528 Se\n0.852555 0.122606 0.210472 Se\n0.249107 0.279906 0.232514 Se\n0.250893 0.779906 0.767486 Se\n0.750893 0.720094 0.767486 Se\n0.749107 0.220094 0.232514 Se\n0.316154 0.152736 0.202045 Se\n0.183846 0.652736 0.797955 Se\n0.683846 0.847264 0.797955 Se\n0.816154 0.347264 0.202045 Se\n0.190425 0.116408 0.090001 Se\n0.309575 0.616408 0.909999 Se\n0.809575 0.883592 0.909999 Se\n0.690425 0.383592 0.090001 Se\n0.145952 0.238121 0.036633 Se\n0.354048 0.738121 0.963367 Se\n0.854048 0.761879 0.963367 Se\n0.645952 0.261879 0.036633 Se\n0.401556 0.155628 0.047418 Se\n0.098444 0.655628 0.952582 Se\n0.598444 0.844372 0.952582 Se\n0.901556 0.344372 0.047418 Se\n0.451425 0.205961 0.156465 Se\n0.048575 0.705961 0.843535 Se\n0.548575 0.794039 0.843535 Se\n0.951425 0.294039 0.156465 Se\n0.402456 0.983003 0.157734 F\n0.097544 0.483003 0.842266 F\n0.597544 0.016997 0.842266 F\n0.902456 0.516997 0.157734 F\n0.418681 0.933230 0.034879 F\n0.081319 0.433230 0.965121 F\n0.581319 0.066770 0.965121 F\n0.918681 0.566770 0.034879 F\n0.437160 0.826458 0.137152 F\n0.062840 0.326458 0.862848 F\n0.562840 0.173542 0.862848 F\n0.937160 0.673542 0.137152 F\n0.566779 0.027318 0.122728 F\n0.933221 0.527318 0.877272 F\n0.433221 0.972682 0.877272 F\n0.066779 0.472682 0.122728 F\n0.592035 0.912572 0.224449 F\n0.907965 0.412572 0.775551 F\n0.407965 0.087428 0.775551 F\n0.092035 0.587428 0.224449 F\n0.607272 0.873304 0.100463 F\n0.892728 0.373304 0.899537 F\n0.392728 0.126696 0.899537 F\n0.107272 0.626696 0.100463 F\n0.584271 0.348691 0.863344 F\n0.915729 0.848691 0.136656 F\n0.415729 0.651309 0.136656 F\n0.084271 0.151309 0.863344 F\n0.520560 0.447892 0.947427 F\n0.979440 0.947892 0.052573 F\n0.479440 0.552108 0.052573 F\n0.020560 0.052108 0.947427 F\n0.392535 0.351256 0.768162 F\n0.107465 0.851256 0.231838 F\n0.607465 0.648744 0.231838 F\n0.892535 0.148744 0.768162 F\n0.329535 0.454360 0.848663 F\n0.170465 0.954360 0.151337 F\n0.670465 0.545640 0.151337 F\n0.829535 0.045640 0.848663 F\n0.501170 0.492073 0.816955 F\n0.998830 0.992073 0.183045 F\n0.498830 0.507927 0.183045 F\n0.001170 0.007927 0.816955 F\n0.413690 0.312351 0.901401 F\n0.086310 0.812351 0.098599 F\n0.586310 0.687649 0.098599 F\n0.913690 0.187649 0.901401 F\n0.490098 0.831609 0.652187 F\n0.009902 0.331609 0.347813 F\n0.509902 0.168391 0.347813 F\n0.990098 0.668391 0.652187 F\n0.518458 0.989821 0.682362 F\n0.981542 0.489821 0.317638 F\n0.481542 0.010179 0.317638 F\n0.018458 0.510179 0.682362 F\n0.317890 0.020202 0.615703 F\n0.182110 0.520202 0.384297 F\n0.682110 0.979798 0.384297 F\n0.817890 0.479798 0.615703 F\n0.284317 0.862704 0.581089 F\n0.215683 0.362704 0.418911 F\n0.715683 0.137296 0.418911 F\n0.784317 0.637296 0.581089 F\n0.370602 0.902856 0.716136 F\n0.129398 0.402856 0.283864 F\n0.629398 0.097144 0.283864 F\n0.870602 0.597144 0.716136 F\n0.433409 0.943005 0.549156 F\n0.066591 0.443005 0.450844 F\n0.566591 0.056995 0.450844 F\n0.933409 0.556995 0.549156 F\n0.388785 0.662012 0.719859 F\n0.111215 0.162012 0.280141 F\n0.611215 0.337988 0.280141 F\n0.888785 0.837988 0.719859 F\n0.282305 0.530373 0.557363 F\n0.217695 0.030373 0.442637 F\n0.717695 0.469627 0.442637 F\n0.782305 0.969627 0.557363 F\n0.417946 0.653521 0.592884 F\n0.082054 0.153521 0.407116 F\n0.582054 0.346479 0.407116 F\n0.917946 0.846479 0.592884 F\n0.226251 0.671324 0.600574 F\n0.273749 0.171324 0.399426 F\n0.773749 0.328676 0.399426 F\n0.726251 0.828676 0.600574 F\n0.254371 0.538307 0.682693 F\n0.245629 0.038307 0.317307 F\n0.745629 0.461693 0.317307 F\n0.754371 0.961693 0.682693 F\n0.448219 0.522003 0.674161 F\n0.051782 0.022003 0.325839 F\n0.551782 0.477997 0.325839 F\n0.948218 0.977997 0.674161 F\n",
"nsites": 192,
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"elements": [
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"Se",
"F"
],
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"density": 3.7798567691296645,
"density_atomic": 0.04331992271720436,
"volume": 4432.140870919602,
"volume_molar": 13.901550100430644,
"formula_full": "Sb16 Se80 F96",
"formula_reduced": "SbSe5F6",
"formula_anonymous": "AB5C6",
"energy": -834.67562436,
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"updated_at": "2021-11-28T01:36:11.651000Z",
"spacegroup": 14
},
{
"id": "mp-1228524",
"created_at": "2022-09-04T14:43:13.521350Z",
"structure_string": "Al4 Te6\n1.0\n3.700443 6.490961 0.000000\n-3.700443 6.490961 0.000000\n0.000000 4.124847 6.958114\nAl Te\n4 6\ndirect\n0.179569 0.983588 0.497412 Al\n0.811174 0.676216 0.505938 Al\n0.983588 0.179569 0.997412 Al\n0.676216 0.811174 0.005938 Al\n0.296622 0.136668 0.112323 Te\n0.979088 0.781990 0.120260 Te\n0.616739 0.454942 0.139018 Te\n0.136668 0.296622 0.612323 Te\n0.781990 0.979088 0.620260 Te\n0.454942 0.616739 0.639018 Te\n",
"nsites": 10,
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"density": 4.339510625551456,
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"volume": 334.25988094999394,
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"formula_full": "Al4 Te6",
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"energy": -40.62331094,
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"spacegroup": 9
},
{
"id": "mp-542463",
"created_at": "2022-09-04T14:43:13.525147Z",
"structure_string": "Mg2 Al4 Cl16\n1.0\n4.104776 8.909371 0.000000\n-4.104776 8.909371 0.000000\n0.000000 7.258324 9.171939\nMg Al Cl\n2 4 16\ndirect\n0.001837 0.998163 0.750000 Mg\n0.998163 0.001837 0.250000 Mg\n0.159220 0.668786 0.531811 Al\n0.331214 0.840780 0.968189 Al\n0.840780 0.331214 0.468189 Al\n0.668786 0.159220 0.031811 Al\n0.306818 0.383224 0.548978 Cl\n0.616776 0.693182 0.951022 Cl\n0.693182 0.616776 0.451022 Cl\n0.383224 0.306818 0.048978 Cl\n0.878217 0.824255 0.512871 Cl\n0.175745 0.121783 0.987129 Cl\n0.121783 0.175745 0.487129 Cl\n0.824255 0.878217 0.012871 Cl\n0.141876 0.688946 0.717318 Cl\n0.311054 0.858124 0.782682 Cl\n0.858124 0.311054 0.282682 Cl\n0.688946 0.141876 0.217318 Cl\n0.280617 0.839122 0.328465 Cl\n0.160878 0.719383 0.171535 Cl\n0.719383 0.160878 0.671535 Cl\n0.839122 0.280617 0.828465 Cl\n",
"nsites": 22,
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],
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"volume": 670.853453403541,
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"formula_full": "Mg2 Al4 Cl16",
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"spacegroup": 15
},
{
"id": "mp-1100345",
"created_at": "2022-09-04T14:43:15.055683Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n9.368545 0.000000 0.000000\n0.000000 4.133447 0.000000\n0.000000 0.000058 6.509038\nCa Sn S\n2 2 6\ndirect\n0.768667 0.991309 0.038142 Ca\n0.268667 0.008691 0.961858 Ca\n0.998483 0.501715 0.501872 Sn\n0.498483 0.498285 0.498128 Sn\n0.751458 0.493075 0.336012 S\n0.251458 0.506925 0.663988 S\n0.046717 0.001270 0.284977 S\n0.434675 0.506228 0.136304 S\n0.546717 0.998730 0.715023 S\n0.934675 0.493772 0.863696 S\n",
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"volume": 252.0584884446196,
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"formula_full": "Ca2 Sn2 S6",
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"spacegroup": 4
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{
"id": "mp-555487",
"created_at": "2022-09-04T14:43:13.932766Z",
"structure_string": "Sn12 O24\n1.0\n4.806421 0.000000 0.000000\n0.000000 5.823709 0.000000\n0.000000 0.000000 16.101267\nSn O\n12 24\ndirect\n0.996976 0.343664 0.416044 Sn\n0.503024 0.156336 0.916044 Sn\n0.003024 0.343664 0.083956 Sn\n0.000000 0.020772 0.250000 Sn\n0.996976 0.656336 0.916044 Sn\n0.496976 0.843664 0.083956 Sn\n0.496976 0.156336 0.583956 Sn\n0.500000 0.479228 0.750000 Sn\n0.503024 0.843664 0.416044 Sn\n0.500000 0.520772 0.250000 Sn\n0.003024 0.656336 0.583956 Sn\n0.000000 0.979228 0.750000 Sn\n0.210856 0.934119 0.862199 O\n0.272886 0.205174 0.694730 O\n0.789144 0.934119 0.637801 O\n0.706251 0.123828 0.470511 O\n0.227114 0.294826 0.194730 O\n0.289144 0.434119 0.862199 O\n0.710856 0.565881 0.137801 O\n0.793749 0.376172 0.970511 O\n0.706251 0.876172 0.970511 O\n0.206251 0.623828 0.029489 O\n0.289144 0.565881 0.362199 O\n0.710856 0.434119 0.637801 O\n0.293749 0.123828 0.029489 O\n0.293749 0.876172 0.529489 O\n0.772886 0.705174 0.805270 O\n0.210856 0.065881 0.362199 O\n0.789144 0.065881 0.137801 O\n0.272886 0.794826 0.194730 O\n0.727114 0.205174 0.805270 O\n0.772886 0.294826 0.305270 O\n0.727114 0.794826 0.305270 O\n0.206251 0.376172 0.529489 O\n0.793749 0.623828 0.470511 O\n0.227114 0.705174 0.694730 O\n",
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},
{
"id": "mp-16529",
"created_at": "2022-09-04T14:43:13.537850Z",
"structure_string": "Al12 Ru2\n1.0\n3.279928 -3.750942 0.000000\n3.279928 3.750942 0.000000\n0.000000 0.000000 9.039062\nAl Ru\n12 2\ndirect\n0.680820 0.319180 0.000000 Al\n0.319180 0.680820 0.500000 Al\n0.319180 0.680820 0.000000 Al\n0.680820 0.319180 0.500000 Al\n0.140545 0.140545 0.099563 Al\n0.859455 0.859455 0.599563 Al\n0.140545 0.140545 0.400437 Al\n0.859455 0.859455 0.900437 Al\n0.978127 0.618150 0.250000 Al\n0.021873 0.381850 0.750000 Al\n0.618150 0.978127 0.250000 Al\n0.381850 0.021873 0.750000 Al\n0.463568 0.463568 0.250000 Ru\n0.536432 0.536432 0.750000 Ru\n",
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