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{
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"results": [
{
"id": "mp-686458",
"created_at": "2022-09-04T14:42:18.865578Z",
"structure_string": "Rb11 Al14 Si10 Ag3 O48\n1.0\n12.446710 0.000000 0.000000\n0.026632 12.470322 0.000000\n0.065004 0.023158 12.716281\nRb Al Si Ag O\n11 14 10 3 48\ndirect\n0.257250 0.753158 0.737892 Rb\n0.503306 0.001511 0.510083 Rb\n0.003959 0.493375 0.488458 Rb\n0.257080 0.265585 0.289131 Rb\n0.248743 0.751990 0.258859 Rb\n0.731748 0.742257 0.291573 Rb\n0.730166 0.268201 0.292086 Rb\n0.134898 0.091883 0.114115 Rb\n0.907341 0.865233 0.122519 Rb\n0.863102 0.133624 0.102462 Rb\n0.519526 0.486776 0.980389 Rb\n0.370598 0.999851 0.821672 Al\n0.996641 0.804071 0.629034 Al\n0.190067 0.998308 0.624913 Al\n0.002905 0.198557 0.631566 Al\n0.808813 0.000653 0.632039 Al\n0.996064 0.807015 0.381837 Al\n0.187172 0.998439 0.375218 Al\n0.999802 0.190719 0.379199 Al\n0.810749 0.003109 0.378379 Al\n0.998512 0.625174 0.176776 Al\n0.999080 0.373059 0.177328 Al\n0.375166 0.998142 0.175908 Al\n0.625517 0.998261 0.177198 Al\n0.810752 0.375556 0.995599 Al\n0.004834 0.373759 0.823329 Si\n0.624540 0.002041 0.821818 Si\n0.003678 0.626975 0.825771 Si\n0.187009 0.372905 0.995830 Si\n0.188433 0.625811 0.998705 Si\n0.375750 0.809534 0.996519 Si\n0.370342 0.188052 0.995285 Si\n0.627135 0.815079 0.995515 Si\n0.619692 0.187715 0.995109 Si\n0.811240 0.627211 0.993955 Si\n0.504643 0.661919 0.495617 Ag\n0.505021 0.337861 0.500956 Ag\n0.640373 0.499875 0.504924 Ag\n0.502975 0.764547 0.997060 O\n0.298516 0.301002 0.995472 O\n0.708016 0.710810 0.985565 O\n0.758485 0.508284 0.989446 O\n0.694130 0.294049 0.992041 O\n0.116500 0.651109 0.893196 O\n0.350496 0.877144 0.892166 O\n0.339573 0.113846 0.897831 O\n0.895685 0.651287 0.896342 O\n0.117803 0.352076 0.890142 O\n0.645544 0.893636 0.895097 O\n0.644643 0.109139 0.895749 O\n0.899937 0.347540 0.892887 O\n0.007025 0.502176 0.790551 O\n0.503776 0.001335 0.778687 O\n0.296303 0.984771 0.709793 O\n0.009542 0.309270 0.714516 O\n0.706077 0.003275 0.724859 O\n0.009775 0.700250 0.722923 O\n0.111974 0.882617 0.642723 O\n0.111790 0.112138 0.650032 O\n0.886238 0.885997 0.651454 O\n0.891603 0.113833 0.652338 O\n0.998589 0.740204 0.504389 O\n0.250219 0.996954 0.498131 O\n0.750234 0.006401 0.504617 O\n0.998044 0.252918 0.503290 O\n0.113742 0.880440 0.363523 O\n0.114571 0.115181 0.353774 O\n0.881344 0.883767 0.359360 O\n0.879974 0.123089 0.354188 O\n0.010916 0.285989 0.281332 O\n0.274137 0.998225 0.267972 O\n0.723527 0.002283 0.271178 O\n0.993443 0.720556 0.273883 O\n0.499660 0.992766 0.232084 O\n0.006218 0.499731 0.229338 O\n0.118085 0.655629 0.101179 O\n0.349158 0.878203 0.101259 O\n0.349598 0.123576 0.105969 O\n0.876821 0.651263 0.102277 O\n0.119061 0.341079 0.100318 O\n0.657027 0.877850 0.103414 O\n0.643652 0.119939 0.102557 O\n0.876925 0.345206 0.113119 O\n0.230316 0.499510 0.996877 O\n0.301455 0.696555 0.993727 O\n0.494932 0.234610 0.991909 O\n",
"nsites": 86,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-Al-O-Rb-Si",
"density": 2.26339515901652,
"density_atomic": 0.04357185968858735,
"volume": 1973.7509625398368,
"volume_molar": 13.821169908837655,
"formula_full": "Rb11 Al14 Si10 Ag3 O48",
"formula_reduced": "Rb11Al14Si10(AgO16)3",
"formula_anonymous": "A3B10C11D14E48",
"energy": -605.84895772,
"energy_per_atom": -7.044755322325582,
"energy_above_hull": null,
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"energy_uncorrected": -572.87295772,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.607000Z",
"spacegroup": 1
},
{
"id": "mp-1251571",
"created_at": "2022-09-04T14:44:24.812041Z",
"structure_string": "Rb11 Al14 Si10 Ag3 O48\n1.0\n13.032631 -0.067860 -0.017658\n-0.068351 12.176042 -0.026678\n-0.015694 -0.027380 12.298682\nRb Al Si Ag O\n11 14 10 3 48\ndirect\n0.268035 0.259197 0.253890 Rb\n0.425300 0.498188 0.996423 Rb\n0.547523 0.995647 0.500943 Rb\n0.720097 0.268117 0.722544 Rb\n0.744831 0.243438 0.243188 Rb\n0.718883 0.706473 0.257145 Rb\n0.735480 0.751886 0.754239 Rb\n0.854169 0.108143 0.899187 Rb\n0.850092 0.901885 0.112261 Rb\n0.145824 0.902682 0.890295 Rb\n0.040598 0.529893 0.525954 Rb\n0.171198 0.362682 0.001355 Al\n0.369769 0.994625 0.198743 Al\n0.377009 0.195622 0.003382 Al\n0.375608 0.003682 0.796531 Al\n0.374064 0.804153 0.996085 Al\n0.608879 0.990905 0.198587 Al\n0.615566 0.194113 0.001013 Al\n0.610951 0.008043 0.806389 Al\n0.613610 0.804539 0.003747 Al\n0.819645 0.997354 0.373496 Al\n0.822497 0.997124 0.633986 Al\n0.823172 0.371372 0.001326 Al\n0.823844 0.631658 0.995765 Al\n0.001899 0.813102 0.627383 Al\n0.174304 0.005868 0.627286 Si\n0.173565 0.628284 0.992818 Si\n0.169573 0.007910 0.369548 Si\n0.000983 0.186649 0.629493 Si\n0.998461 0.188304 0.373307 Si\n0.003068 0.375419 0.188941 Si\n0.999853 0.363306 0.819718 Si\n0.004723 0.632167 0.179409 Si\n0.003862 0.625288 0.813891 Si\n0.999488 0.817956 0.367483 Si\n0.514227 0.481093 0.302844 Ag\n0.476687 0.517050 0.689582 Ag\n0.479896 0.587559 0.486544 Ag\n0.997187 0.506149 0.229220 O\n0.003215 0.302580 0.698551 O\n0.014070 0.711210 0.286732 O\n0.010333 0.770347 0.489534 O\n0.011024 0.685862 0.696882 O\n0.108677 0.126974 0.351382 O\n0.111612 0.351451 0.131445 O\n0.087448 0.315874 0.898332 O\n0.089950 0.908025 0.337364 O\n0.107301 0.119856 0.646952 O\n0.107855 0.647799 0.106219 O\n0.099366 0.670168 0.891336 O\n0.105406 0.900233 0.662915 O\n0.202676 0.000454 0.497209 O\n0.202122 0.501328 0.977925 O\n0.288820 0.301089 0.014821 O\n0.277242 0.011039 0.698549 O\n0.276100 0.702284 0.992028 O\n0.270078 0.011076 0.295819 O\n0.359923 0.112496 0.118130 O\n0.361975 0.113646 0.887253 O\n0.353765 0.881825 0.113143 O\n0.352854 0.890011 0.882723 O\n0.490053 0.998527 0.267126 O\n0.498541 0.263913 0.014703 O\n0.493769 0.736036 0.990541 O\n0.495904 0.997253 0.731710 O\n0.623819 0.104140 0.111900 O\n0.626714 0.134423 0.872289 O\n0.627829 0.865020 0.132574 O\n0.621991 0.893449 0.891645 O\n0.719695 0.005577 0.723548 O\n0.728950 0.271108 0.012074 O\n0.727665 0.729168 0.994292 O\n0.716072 0.002175 0.285174 O\n0.774467 0.501406 0.008687 O\n0.773031 0.007996 0.503690 O\n0.902563 0.111015 0.338973 O\n0.905381 0.343243 0.114371 O\n0.885847 0.342969 0.872388 O\n0.887778 0.872758 0.341479 O\n0.900309 0.117496 0.667214 O\n0.902177 0.667245 0.112947 O\n0.896511 0.649457 0.874843 O\n0.887870 0.876162 0.659936 O\n0.993022 0.227789 0.501557 O\n0.997838 0.304804 0.305114 O\n0.017876 0.493415 0.786740 O\n",
"nsites": 86,
"nelements": 5,
"elements": [
"Rb",
"Al",
"Si",
"Ag",
"O"
],
"chemical_system": "Ag-Al-O-Rb-Si",
"density": 2.2891355293520532,
"density_atomic": 0.04406737890896045,
"volume": 1951.5569595747652,
"volume_molar": 13.665756641531239,
"formula_full": "Rb11 Al14 Si10 Ag3 O48",
"formula_reduced": "Rb11Al14Si10(AgO16)3",
"formula_anonymous": "A3B10C11D14E48",
"energy": -608.15698638,
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"updated_at": "2021-11-28T01:36:40.066000Z",
"spacegroup": 1
},
{
"id": "mp-1228941",
"created_at": "2022-09-04T14:45:14.462769Z",
"structure_string": "Al2 Si6 Ag2 O16\n1.0\n-0.053502 0.126624 -7.278291\n-3.681831 -6.596027 2.183777\n-3.708338 6.409739 1.529922\nAl Si Ag O\n2 6 2 16\ndirect\n0.210984 0.178573 0.828833 Al\n0.789016 0.821427 0.171167 Al\n0.321192 0.803945 0.573026 Si\n0.678808 0.196055 0.426974 Si\n0.237770 0.825394 0.181209 Si\n0.762230 0.174606 0.818791 Si\n0.364188 0.575996 0.802194 Si\n0.635812 0.424004 0.197806 Si\n0.128698 0.258993 0.263468 Ag\n0.871302 0.741007 0.736532 Ag\n0.970738 0.139157 0.860347 O\n0.029262 0.860843 0.139653 O\n0.433313 0.049460 0.311631 O\n0.566687 0.950540 0.688369 O\n0.188800 0.924843 0.676030 O\n0.811200 0.075157 0.323970 O\n0.289005 0.596511 0.592808 O\n0.710995 0.403489 0.407192 O\n0.248307 0.682114 0.955845 O\n0.751693 0.317886 0.044155 O\n0.387940 0.298338 0.084996 O\n0.612060 0.701662 0.915004 O\n0.246202 0.712744 0.320467 O\n0.753798 0.287256 0.679533 O\n0.281808 0.332471 0.719925 O\n0.718192 0.667529 0.280075 O\n",
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"elements": [
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],
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"volume": 350.7703827790692,
"volume_molar": 8.124571613594748,
"formula_full": "Al2 Si6 Ag2 O16",
"formula_reduced": "AlSi3AgO8",
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},
{
"id": "mp-1228164",
"created_at": "2022-09-04T14:44:51.774442Z",
"structure_string": "Al6 Si6 Ag6 O24\n1.0\n6.511815 -6.535068 0.000000\n6.511815 6.535068 0.000000\n-0.046590 0.000000 9.225436\nAl Si Ag O\n6 6 6 24\ndirect\n0.997308 0.749419 0.502663 Al\n0.502663 0.997308 0.749419 Al\n0.749419 0.502663 0.997308 Al\n0.497308 0.002663 0.249419 Al\n0.249419 0.497308 0.002663 Al\n0.002663 0.249419 0.497308 Al\n0.501857 0.748861 0.999110 Si\n0.999110 0.501857 0.748861 Si\n0.748861 0.999110 0.501857 Si\n0.001857 0.499110 0.248861 Si\n0.248861 0.001857 0.499110 Si\n0.499110 0.248861 0.001857 Si\n0.256938 0.742420 0.257149 Ag\n0.742420 0.257149 0.256938 Ag\n0.257149 0.256938 0.742420 Ag\n0.242420 0.756938 0.757149 Ag\n0.757149 0.242420 0.756938 Ag\n0.756938 0.757149 0.242420 Ag\n0.959798 0.639713 0.649842 O\n0.649842 0.959798 0.639713 O\n0.639713 0.649842 0.959798 O\n0.043502 0.641666 0.350000 O\n0.350125 0.953269 0.360460 O\n0.358310 0.651102 0.043890 O\n0.953269 0.360460 0.350125 O\n0.651102 0.043890 0.358310 O\n0.641666 0.350000 0.043502 O\n0.043890 0.358310 0.651102 O\n0.350000 0.043502 0.641666 O\n0.360460 0.350125 0.953269 O\n0.453269 0.850125 0.860460 O\n0.151102 0.858310 0.543890 O\n0.141666 0.543502 0.850000 O\n0.543890 0.151102 0.858310 O\n0.850000 0.141666 0.543502 O\n0.860460 0.453269 0.850125 O\n0.459798 0.149842 0.139713 O\n0.149842 0.139713 0.459798 O\n0.139713 0.459798 0.149842 O\n0.543502 0.850000 0.141666 O\n0.850124 0.860460 0.453269 O\n0.858310 0.543890 0.151102 O\n",
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"formula_full": "Al6 Si6 Ag6 O24",
"formula_reduced": "AlSiAgO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:36:43.519000Z",
"spacegroup": 161
},
{
"id": "mp-1337071",
"created_at": "2022-09-04T14:40:43.129003Z",
"structure_string": "Al2 Si6 Ag2 O16\n1.0\n7.279589 0.000000 0.000000\n-1.390901 7.432535 0.000000\n-2.271061 -3.826843 6.483046\nAl Si Ag O\n2 6 2 16\ndirect\n0.967589 0.349740 0.821427 Al\n0.032411 0.650260 0.178573 Al\n0.482753 0.230919 0.196055 Si\n0.517247 0.769081 0.803945 Si\n0.587624 0.644185 0.174606 Si\n0.412376 0.355815 0.825394 Si\n0.211807 0.773802 0.424004 Si\n0.788193 0.226198 0.575996 Si\n0.130294 0.995525 0.741007 Ag\n0.869706 0.004475 0.258993 Ag\n0.168419 0.278809 0.860843 O\n0.831581 0.721191 0.139157 O\n0.616148 0.737830 0.950540 O\n0.383852 0.262170 0.049460 O\n0.736043 0.248813 0.075157 O\n0.263957 0.751187 0.924843 O\n0.307505 0.003703 0.403489 O\n0.692495 0.996297 0.596511 O\n0.433806 0.726269 0.317886 O\n0.566194 0.273731 0.682114 O\n0.910397 0.213342 0.701662 O\n0.089603 0.786658 0.298338 O\n0.466542 0.392278 0.287256 O\n0.533458 0.607722 0.712744 O\n0.050663 0.612546 0.667529 O\n0.949337 0.387454 0.332471 O\n",
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"formula_full": "Al2 Si6 Ag2 O16",
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},
{
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