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{
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{
"id": "mp-1247860",
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"structure_string": "Ag5 Au3 S4\n1.0\n5.828090 0.270868 0.447065\n0.190029 4.589111 1.180080\n0.945301 2.108266 12.790995\nAg Au S\n5 3 4\ndirect\n0.121033 0.545087 0.418336 Ag\n0.367738 0.918638 0.811527 Ag\n0.901413 0.485244 0.001054 Ag\n0.634902 0.407914 0.485452 Ag\n0.739797 0.032515 0.325447 Ag\n0.722887 0.236864 0.858525 Au\n0.776098 0.819788 0.142735 Au\n0.731561 0.754096 0.604919 Au\n0.025510 0.003981 0.969513 S\n0.036809 0.995154 0.468328 S\n0.510631 0.552502 0.294767 S\n0.431619 0.498218 0.744398 S\n",
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"formula_full": "Ag5 Au3 S4",
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"spacegroup": 1
},
{
"id": "mp-568540",
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"structure_string": "Ag5 Hg4 P8 Cl5\n1.0\n5.575547 7.324769 0.000000\n-5.575547 7.324769 0.000000\n0.000000 1.494064 6.183029\nAg Hg P Cl\n5 4 8 5\ndirect\n0.146523 0.853477 0.000000 Ag\n0.795504 0.795504 0.945339 Ag\n0.204496 0.204496 0.054661 Ag\n0.853477 0.146523 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.482136 0.825084 0.467024 Hg\n0.517864 0.174916 0.532976 Hg\n0.825084 0.482136 0.467024 Hg\n0.174916 0.517864 0.532976 Hg\n0.098485 0.796155 0.400314 P\n0.203845 0.901515 0.599686 P\n0.858241 0.858241 0.554255 P\n0.796155 0.098485 0.400314 P\n0.759636 0.759636 0.341161 P\n0.141759 0.141759 0.445745 P\n0.901515 0.203845 0.599686 P\n0.240364 0.240364 0.658839 P\n0.196430 0.526292 0.023037 Cl\n0.803570 0.473708 0.976963 Cl\n0.473708 0.803570 0.976963 Cl\n0.526292 0.196430 0.023037 Cl\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 22,
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],
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"formula_full": "Ag5 Hg4 P8 Cl5",
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"updated_at": "2021-11-28T01:35:17.474000Z",
"spacegroup": 12
},
{
"id": "mp-559847",
"created_at": "2022-09-04T14:43:24.476877Z",
"structure_string": "Ag5 P1 S4 Cl2\n1.0\n3.166754 -5.621989 0.000000\n3.166754 5.621989 0.000000\n0.000000 0.000000 7.487536\nAg P S Cl\n5 1 4 2\ndirect\n0.320112 0.938166 0.781275 Ag\n0.595320 0.595320 0.500000 Ag\n0.320112 0.938166 0.218726 Ag\n0.938166 0.320112 0.218726 Ag\n0.938166 0.320112 0.781274 Ag\n0.538883 0.538883 0.000000 P\n0.349978 0.349978 0.772189 S\n0.349978 0.349978 0.227811 S\n0.885266 0.589305 0.000000 S\n0.589305 0.885266 0.000000 S\n0.712006 0.056519 0.500000 Cl\n0.056519 0.712006 0.500000 Cl\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ag-Cl-P-S",
"density": 4.792626948079725,
"density_atomic": 0.04500989580526413,
"volume": 266.6080377505904,
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"formula_full": "Ag5 P1 S4 Cl2",
"formula_reduced": "Ag5P(S2Cl)2",
"formula_anonymous": "AB2C4D5",
"energy": -46.397140750000005,
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"total_magnetization": 5.3e-06,
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"updated_at": "2021-11-28T01:36:15.221000Z",
"spacegroup": 38
},
{
"id": "mp-22286",
"created_at": "2022-09-04T14:45:15.409229Z",
"structure_string": "Ag5 Pb2 O6\n1.0\n3.035648 -5.257897 0.000000\n3.035648 5.257897 0.000000\n0.000000 0.000000 6.527926\nAg Pb O\n5 2 6\ndirect\n0.000000 0.000000 0.236980 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.763020 Ag\n0.500000 0.500000 0.000000 Ag\n0.666667 0.333333 0.500000 Pb\n0.333333 0.666667 0.500000 Pb\n0.622690 0.622690 0.308143 O\n0.377310 0.377310 0.691857 O\n0.000000 0.622690 0.691857 O\n0.622690 0.000000 0.691857 O\n0.000000 0.377310 0.308143 O\n0.377310 0.000000 0.308143 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Ag-O-Pb",
"density": 8.36490598369441,
"density_atomic": 0.06238420550129691,
"volume": 208.3860793855865,
"volume_molar": 9.653310019111816,
"formula_full": "Ag5 Pb2 O6",
"formula_reduced": "Ag5(PbO3)2",
"formula_anonymous": "A2B5C6",
"energy": -61.7571196,
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"updated_at": "2021-11-28T01:36:56.506000Z",
"spacegroup": 162
},
{
"id": "mp-555565",
"created_at": "2022-09-04T14:46:55.269261Z",
"structure_string": "Ag5 Pb2 O6\n1.0\n3.032948 -5.253221 0.000000\n3.032948 5.253221 0.000000\n0.000000 0.000000 6.529279\nAg Pb O\n5 2 6\ndirect\n0.500865 0.000000 0.521456 Ag\n0.000000 0.000000 0.273776 Ag\n0.499135 0.499135 0.521456 Ag\n0.000000 0.500865 0.521456 Ag\n0.000000 0.000000 0.737707 Ag\n0.333333 0.666667 0.020341 Pb\n0.666667 0.333333 0.020341 Pb\n0.000000 0.621832 0.212743 O\n0.376115 0.000000 0.829079 O\n0.621832 0.000000 0.212743 O\n0.378168 0.378168 0.212743 O\n0.000000 0.376115 0.829079 O\n0.623885 0.623885 0.829079 O\n",
"nsites": 13,
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"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.378068551580496,
"density_atomic": 0.06248236994469066,
"volume": 208.0586893792215,
"volume_molar": 9.638143952175298,
"formula_full": "Ag5 Pb2 O6",
"formula_reduced": "Ag5(PbO3)2",
"formula_anonymous": "A2B5C6",
"energy": -61.75506749,
"energy_per_atom": -4.750389806923077,
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"updated_at": "2021-11-28T01:37:39.774000Z",
"spacegroup": 157
},
{
"id": "mp-1229311",
"created_at": "2022-09-04T14:41:57.616536Z",
"structure_string": "Ag5 Sb23 Pb12 S48\n1.0\n8.695419 0.000000 0.000000\n-0.044003 13.295957 0.000000\n-0.007660 -0.101782 19.624588\nAg Sb Pb S\n5 23 12 48\ndirect\n0.379922 0.818977 0.857529 Ag\n0.881350 0.676475 0.359468 Ag\n0.617876 0.177837 0.140694 Ag\n0.118555 0.321621 0.641287 Ag\n0.882985 0.851459 0.867960 Ag\n0.877623 0.855253 0.631155 Sb\n0.379343 0.650587 0.127818 Sb\n0.120807 0.149423 0.371928 Sb\n0.620174 0.349428 0.870609 Sb\n0.355378 0.871551 0.648659 Sb\n0.857450 0.626576 0.147693 Sb\n0.643794 0.129095 0.351575 Sb\n0.141748 0.375168 0.850512 Sb\n0.380197 0.120991 0.555489 Sb\n0.880044 0.378486 0.055125 Sb\n0.619727 0.878993 0.444914 Sb\n0.120669 0.623441 0.942662 Sb\n0.864997 0.132077 0.552386 Sb\n0.365107 0.367186 0.051832 Sb\n0.132090 0.867953 0.447572 Sb\n0.636972 0.635062 0.946717 Sb\n0.859115 0.117995 0.945736 Sb\n0.361030 0.380346 0.446419 Sb\n0.140177 0.880749 0.052489 Sb\n0.640443 0.619863 0.553974 Sb\n0.377810 0.649787 0.370195 Sb\n0.122066 0.149514 0.130763 Sb\n0.621330 0.351036 0.630861 Sb\n0.097925 0.076223 0.751565 Pb\n0.602512 0.418518 0.251590 Pb\n0.895839 0.919123 0.250795 Pb\n0.397746 0.585965 0.752784 Pb\n0.613716 0.091032 0.746324 Pb\n0.107285 0.406685 0.245831 Pb\n0.391933 0.905125 0.255199 Pb\n0.893037 0.599923 0.757317 Pb\n0.372331 0.108558 0.949076 Pb\n0.872132 0.387662 0.451341 Pb\n0.632264 0.887792 0.046614 Pb\n0.127521 0.613958 0.549501 Pb\n0.357246 0.763246 0.496003 S\n0.852029 0.736005 0.997029 S\n0.645351 0.237141 0.502693 S\n0.146297 0.265312 0.004027 S\n0.860434 0.937478 0.745468 S\n0.360782 0.563776 0.245485 S\n0.138555 0.063952 0.254212 S\n0.638097 0.436007 0.754702 S\n0.356987 0.950331 0.766486 S\n0.857168 0.548762 0.266783 S\n0.643147 0.049676 0.233264 S\n0.140641 0.451046 0.733717 S\n0.849680 0.217657 0.665066 S\n0.349614 0.282897 0.165532 S\n0.151018 0.784182 0.334004 S\n0.643461 0.712293 0.834541 S\n0.408564 0.239149 0.833705 S\n0.904301 0.258773 0.333126 S\n0.591532 0.759687 0.166890 S\n0.094378 0.742228 0.666897 S\n0.418585 0.752537 0.984202 S\n0.915950 0.747214 0.480856 S\n0.581466 0.250488 0.017639 S\n0.082525 0.250845 0.516922 S\n0.071667 0.017213 0.898583 S\n0.575469 0.481735 0.397995 S\n0.927190 0.982736 0.102206 S\n0.425287 0.517241 0.600868 S\n0.656675 0.998044 0.910583 S\n0.156630 0.501810 0.409225 S\n0.343934 0.000762 0.089870 S\n0.845965 0.498103 0.589716 S\n0.576653 0.998893 0.599912 S\n0.074637 0.501519 0.102855 S\n0.422527 0.001334 0.398956 S\n0.925055 0.496846 0.899781 S\n0.387688 0.224582 0.661635 S\n0.886673 0.275504 0.161511 S\n0.612600 0.777611 0.337310 S\n0.115078 0.721671 0.838686 S\n0.837829 0.228182 0.840765 S\n0.341232 0.269915 0.341104 S\n0.160975 0.771419 0.157992 S\n0.660447 0.729703 0.659633 S\n0.161226 0.001061 0.604588 S\n0.662129 0.498245 0.105948 S\n0.841511 0.998927 0.394042 S\n0.340094 0.498770 0.895027 S\n",
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"elements": [
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"density": 5.39052782763443,
"density_atomic": 0.03878573344633782,
"volume": 2268.8754905654373,
"volume_molar": 15.52669042170354,
"formula_full": "Ag5 Sb23 Pb12 S48",
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"energy": -402.25962601,
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"spacegroup": 1
},
{
"id": "mp-679950",
"created_at": "2022-09-04T14:47:40.253285Z",
"structure_string": "Ag64 Ge24 O80\n1.0\n10.938728 0.000000 0.000000\n0.000000 12.357884 0.000000\n0.000000 0.738873 18.853221\nAg Ge O\n64 24 80\ndirect\n0.362077 0.778467 0.052030 Ag\n0.381725 0.656813 0.612520 Ag\n0.362157 0.529251 0.969633 Ag\n0.393236 0.434527 0.524677 Ag\n0.887189 0.661572 0.810473 Ag\n0.108485 0.294409 0.568439 Ag\n0.861282 0.195566 0.622400 Ag\n0.637843 0.529251 0.469633 Ag\n0.387386 0.060008 0.781760 Ag\n0.606764 0.434527 0.024677 Ag\n0.349416 0.353469 0.699132 Ag\n0.612614 0.060008 0.281760 Ag\n0.114723 0.154851 0.324311 Ag\n0.112811 0.661572 0.310473 Ag\n0.857700 0.707146 0.623449 Ag\n0.379687 0.239762 0.244521 Ag\n0.609741 0.244039 0.568358 Ag\n0.606423 0.563105 0.271365 Ag\n0.141814 0.565632 0.477893 Ag\n0.636712 0.872105 0.179991 Ag\n0.133125 0.000377 0.848363 Ag\n0.618275 0.656813 0.112520 Ag\n0.648538 0.154533 0.116124 Ag\n0.637923 0.778467 0.552030 Ag\n0.863114 0.851810 0.913183 Ag\n0.372356 0.946732 0.513119 Ag\n0.117260 0.482079 0.852611 Ag\n0.650584 0.353469 0.199132 Ag\n0.367849 0.720884 0.245146 Ag\n0.359293 0.014447 0.968551 Ag\n0.891515 0.294409 0.068439 Ag\n0.120477 0.067913 0.482655 Ag\n0.121722 0.774611 0.579123 Ag\n0.627644 0.946732 0.013119 Ag\n0.363288 0.872105 0.679991 Ag\n0.873943 0.225781 0.261863 Ag\n0.623993 0.494025 0.829408 Ag\n0.644324 0.959151 0.854996 Ag\n0.632151 0.720884 0.745146 Ag\n0.846720 0.362705 0.895358 Ag\n0.882740 0.482079 0.352611 Ag\n0.390259 0.244039 0.068358 Ag\n0.866875 0.000377 0.348363 Ag\n0.351462 0.154533 0.616124 Ag\n0.136886 0.851810 0.413183 Ag\n0.113167 0.477105 0.025654 Ag\n0.858186 0.565632 0.977893 Ag\n0.126057 0.225781 0.761863 Ag\n0.393577 0.563105 0.771365 Ag\n0.885277 0.154851 0.824311 Ag\n0.355676 0.959151 0.354996 Ag\n0.640707 0.014447 0.468551 Ag\n0.153280 0.362705 0.395358 Ag\n0.879523 0.067913 0.982655 Ag\n0.376007 0.494025 0.329408 Ag\n0.138148 0.760854 0.738858 Ag\n0.878278 0.774611 0.079123 Ag\n0.620313 0.239762 0.744521 Ag\n0.142300 0.707146 0.123449 Ag\n0.138718 0.195566 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