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{
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"structure_string": "Ag16 Te16\n1.0\n4.742659 0.000000 0.000000\n0.000000 8.933630 0.000000\n0.000000 0.000000 20.358743\nAg Te\n16 16\ndirect\n0.363112 0.015168 0.931491 Ag\n0.748611 0.250000 0.155775 Ag\n0.636888 0.515168 0.068509 Ag\n0.248611 0.750000 0.344225 Ag\n0.320104 0.750000 0.552173 Ag\n0.136888 0.015168 0.431491 Ag\n0.820104 0.250000 0.947827 Ag\n0.363112 0.484832 0.931491 Ag\n0.863112 0.515168 0.568509 Ag\n0.179896 0.750000 0.052173 Ag\n0.636888 0.984832 0.068509 Ag\n0.136888 0.484832 0.431491 Ag\n0.251389 0.750000 0.844225 Ag\n0.679896 0.250000 0.447827 Ag\n0.751389 0.250000 0.655775 Ag\n0.863112 0.984832 0.568509 Ag\n0.595687 0.022864 0.342564 Te\n0.095687 0.977136 0.157436 Te\n0.652554 0.750000 0.741000 Te\n0.847446 0.750000 0.241000 Te\n0.095687 0.522864 0.157436 Te\n0.829342 0.750000 0.469401 Te\n0.152554 0.250000 0.759000 Te\n0.595687 0.477136 0.342564 Te\n0.404313 0.522864 0.657436 Te\n0.170658 0.250000 0.530599 Te\n0.404313 0.977136 0.657436 Te\n0.670658 0.750000 0.969401 Te\n0.904313 0.022864 0.842564 Te\n0.347446 0.250000 0.259000 Te\n0.329342 0.250000 0.030599 Te\n0.904313 0.477136 0.842564 Te\n",
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{
"id": "mp-1096812",
"created_at": "2022-09-04T14:46:12.630225Z",
"structure_string": "Ag16 Sn8 Se24\n1.0\n6.487325 3.758764 0.000000\n-6.487325 3.758764 0.000000\n0.000000 2.550418 28.407313\nAg Sn Se\n16 8 24\ndirect\n0.853547 0.684875 0.985628 Ag\n0.684875 0.853547 0.485628 Ag\n0.519777 0.024423 0.985441 Ag\n0.024423 0.519777 0.485441 Ag\n0.886601 0.375370 0.860489 Ag\n0.375370 0.886601 0.360489 Ag\n0.226404 0.062312 0.859838 Ag\n0.062312 0.226404 0.359838 Ag\n0.916148 0.096929 0.735571 Ag\n0.096929 0.916148 0.235571 Ag\n0.586141 0.423668 0.735455 Ag\n0.423668 0.586141 0.235455 Ag\n0.632374 0.125857 0.609692 Ag\n0.125857 0.632374 0.109692 Ag\n0.292284 0.471778 0.610394 Ag\n0.471778 0.292284 0.110394 Ag\n0.167365 0.331020 0.980999 Sn\n0.331020 0.167365 0.480999 Sn\n0.563623 0.714100 0.856345 Sn\n0.714100 0.563623 0.356345 Sn\n0.273080 0.758237 0.730919 Sn\n0.758237 0.273080 0.230919 Sn\n0.957546 0.788226 0.606310 Sn\n0.788226 0.957546 0.106310 Sn\n0.305103 0.141950 0.576150 Se\n0.141950 0.305103 0.076150 Se\n0.517159 0.685236 0.951314 Se\n0.685236 0.517159 0.451314 Se\n0.942198 0.772450 0.701342 Se\n0.772450 0.942198 0.201342 Se\n0.594391 0.101472 0.702438 Se\n0.101472 0.594391 0.202438 Se\n0.264417 0.432843 0.703671 Se\n0.432843 0.264417 0.203671 Se\n0.235128 0.729052 0.826107 Se\n0.729052 0.235128 0.326107 Se\n0.893758 0.051814 0.828435 Se\n0.051814 0.893758 0.328435 Se\n0.863157 0.362241 0.953253 Se\n0.362241 0.863157 0.453253 Se\n0.968258 0.474121 0.577928 Se\n0.474121 0.968258 0.077928 Se\n0.572433 0.398930 0.828081 Se\n0.398930 0.572433 0.328081 Se\n0.193923 0.024355 0.953043 Se\n0.024355 0.193923 0.453043 Se\n0.644728 0.803594 0.578527 Se\n0.803594 0.644728 0.078527 Se\n",
"nsites": 48,
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"elements": [
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"chemical_system": "Ag-Se-Sn",
"density": 5.478384507492141,
"density_atomic": 0.03464737773670758,
"volume": 1385.3862293637833,
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"formula_full": "Ag16 Sn8 Se24",
"formula_reduced": "Ag2SnSe3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:37:27.389000Z",
"spacegroup": 9
},
{
"id": "mp-17984",
"created_at": "2022-09-04T14:46:25.767821Z",
"structure_string": "Ag16 Sn2 Se12\n1.0\n7.944697 0.000000 0.000000\n0.000000 8.127181 0.000000\n0.000000 0.000000 11.222117\nAg Sn Se\n16 2 12\ndirect\n0.623344 0.500000 0.535357 Ag\n0.698743 0.500000 0.965571 Ag\n0.301257 0.000000 0.465571 Ag\n0.830529 0.773550 0.135672 Ag\n0.474585 0.807266 0.260090 Ag\n0.525415 0.692734 0.760090 Ag\n0.830529 0.226450 0.135672 Ag\n0.169471 0.273550 0.635672 Ag\n0.169471 0.726450 0.635672 Ag\n0.525415 0.307266 0.760090 Ag\n0.886726 0.212319 0.865018 Ag\n0.113274 0.287681 0.365018 Ag\n0.113274 0.712319 0.365018 Ag\n0.886726 0.787681 0.865018 Ag\n0.474585 0.192734 0.260090 Ag\n0.376656 0.000000 0.035357 Ag\n0.247120 0.500000 0.015810 Sn\n0.752880 0.000000 0.515810 Sn\n0.289829 0.500000 0.500492 Se\n0.710171 0.000000 0.000492 Se\n0.802282 0.500000 0.744689 Se\n0.197718 0.000000 0.244689 Se\n0.505953 0.500000 0.152140 Se\n0.494047 0.000000 0.652140 Se\n0.004324 0.500000 0.167733 Se\n0.995676 0.000000 0.667733 Se\n0.242857 0.239806 0.888524 Se\n0.757143 0.260194 0.388524 Se\n0.757143 0.739806 0.388524 Se\n0.242857 0.760194 0.888524 Se\n",
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"elements": [
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"volume": 724.5895439486495,
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"formula_full": "Ag16 Sn2 Se12",
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"updated_at": "2021-11-28T01:37:37.827000Z",
"spacegroup": 31
},
{
"id": "mp-1195808",
"created_at": "2022-09-04T14:45:25.468281Z",
"structure_string": "Ag16 Sn12 S32\n1.0\n10.907486 0.000000 0.000000\n0.000000 10.907486 0.000000\n0.000000 0.000000 10.907486\nAg Sn S\n16 12 32\ndirect\n0.375000 0.625000 0.125000 Ag\n0.125000 0.375000 0.625000 Ag\n0.625000 0.125000 0.375000 Ag\n0.875000 0.875000 0.875000 Ag\n0.854760 0.895240 0.375000 Ag\n0.645240 0.104760 0.875000 Ag\n0.145240 0.395240 0.125000 Ag\n0.354760 0.604760 0.625000 Ag\n0.895240 0.375000 0.854760 Ag\n0.104760 0.875000 0.645240 Ag\n0.395240 0.125000 0.145240 Ag\n0.604760 0.625000 0.354760 Ag\n0.375000 0.854760 0.895240 Ag\n0.875000 0.645240 0.104760 Ag\n0.125000 0.145240 0.395240 Ag\n0.625000 0.354760 0.604760 Ag\n0.114040 0.635960 0.375000 Sn\n0.385960 0.364040 0.875000 Sn\n0.885960 0.135960 0.125000 Sn\n0.614040 0.864040 0.625000 Sn\n0.635960 0.375000 0.114040 Sn\n0.364040 0.875000 0.385960 Sn\n0.135960 0.125000 0.885960 Sn\n0.864040 0.625000 0.614040 Sn\n0.375000 0.114040 0.635960 Sn\n0.875000 0.385960 0.364040 Sn\n0.125000 0.885960 0.135960 Sn\n0.625000 0.614040 0.864040 Sn\n0.351049 0.638351 0.387577 S\n0.148951 0.361649 0.887577 S\n0.648951 0.138351 0.112423 S\n0.851049 0.861649 0.612423 S\n0.638351 0.387577 0.351049 S\n0.361649 0.887577 0.148951 S\n0.138351 0.112423 0.648951 S\n0.861649 0.612423 0.851049 S\n0.387577 0.351049 0.638351 S\n0.887577 0.148951 0.361649 S\n0.112423 0.648951 0.138351 S\n0.612423 0.851049 0.861649 S\n0.398951 0.362423 0.111649 S\n0.601049 0.862423 0.388351 S\n0.101049 0.637577 0.611649 S\n0.898951 0.137577 0.888351 S\n0.111649 0.398951 0.362423 S\n0.388351 0.601049 0.862423 S\n0.611649 0.101049 0.637577 S\n0.888351 0.898951 0.137577 S\n0.362423 0.111649 0.398951 S\n0.862423 0.388351 0.601049 S\n0.637577 0.611649 0.101049 S\n0.137577 0.888351 0.898951 S\n0.121080 0.878920 0.378920 S\n0.378920 0.121080 0.878920 S\n0.878920 0.378920 0.121080 S\n0.621080 0.621080 0.621080 S\n0.628920 0.371080 0.871080 S\n0.371080 0.871080 0.628920 S\n0.871080 0.628920 0.371080 S\n0.128920 0.128920 0.128920 S\n",
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"formula_full": "Ag16 Sn12 S32",
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"energy": -256.35121453,
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"spacegroup": 213
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{
"id": "mp-556570",
"created_at": "2022-09-04T14:44:20.978490Z",
"structure_string": "Ag16 Se4 I8 O16\n1.0\n7.281812 0.000000 0.000000\n0.000000 9.526589 0.000000\n0.000000 0.000000 13.241643\nAg Se I O\n16 4 8 16\ndirect\n0.783815 0.124703 0.417159 Ag\n0.038320 0.018850 0.016013 Ag\n0.432400 0.763564 0.807035 Ag\n0.538320 0.481150 0.516013 Ag\n0.932400 0.736436 0.307035 Ag\n0.432400 0.263564 0.692965 Ag\n0.783815 0.624703 0.082841 Ag\n0.932400 0.236436 0.192965 Ag\n0.283815 0.875297 0.582841 Ag\n0.866876 0.041917 0.758653 Ag\n0.038320 0.518850 0.483987 Ag\n0.538320 0.981150 0.983987 Ag\n0.866876 0.541917 0.741347 Ag\n0.366876 0.458083 0.258653 Ag\n0.366876 0.958083 0.241347 Ag\n0.283815 0.375297 0.917159 Ag\n0.781636 0.316635 0.929136 Se\n0.281636 0.183365 0.429136 Se\n0.281636 0.683365 0.070864 Se\n0.781636 0.816635 0.570864 Se\n0.273500 0.543126 0.685575 I\n0.798847 0.266395 0.611091 I\n0.773500 0.956874 0.185575 I\n0.773500 0.456874 0.314425 I\n0.298847 0.733605 0.388909 I\n0.298847 0.233605 0.111091 I\n0.798847 0.766395 0.888909 I\n0.273500 0.043126 0.814425 I\n0.285005 0.864264 0.075509 O\n0.469833 0.124405 0.367675 O\n0.969833 0.375595 0.867675 O\n0.969833 0.875595 0.632325 O\n0.780548 0.366312 0.050610 O\n0.785005 0.635736 0.575509 O\n0.780548 0.866312 0.449390 O\n0.785005 0.135736 0.924491 O\n0.598541 0.377214 0.865462 O\n0.285005 0.364264 0.424491 O\n0.598541 0.877214 0.634538 O\n0.098541 0.622786 0.134538 O\n0.280548 0.133688 0.550610 O\n0.280548 0.633688 0.949390 O\n0.469833 0.624405 0.132325 O\n0.098541 0.122786 0.365462 O\n",
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"I",
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],
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"formula_full": "Ag16 Se4 I8 O16",
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"updated_at": "2021-11-28T01:36:31.849000Z",
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},
{
"id": "mp-1198276",
"created_at": "2022-09-04T14:40:29.823018Z",
"structure_string": "Ag16 Sb48 Pb16 S96\n1.0\n0.026455 0.000000 -13.257310\n0.000000 -17.279359 0.000000\n-19.461453 0.000000 0.041630\nAg Sb Pb S\n16 48 16 96\ndirect\n0.650674 0.313672 0.643943 Ag\n0.849326 0.813672 0.356057 Ag\n0.349326 0.686328 0.356057 Ag\n0.150674 0.186328 0.643943 Ag\n0.165795 0.678039 0.856868 Ag\n0.334205 0.178039 0.143132 Ag\n0.834205 0.321961 0.143132 Ag\n0.665795 0.821961 0.856868 Ag\n0.674598 0.552343 0.644394 Ag\n0.825402 0.052343 0.355606 Ag\n0.325402 0.447657 0.355606 Ag\n0.174598 0.947657 0.644394 Ag\n0.165591 0.432818 0.866921 Ag\n0.334409 0.932818 0.133079 Ag\n0.834409 0.567182 0.133079 Ag\n0.665591 0.067182 0.866921 Ag\n0.153570 0.189828 0.876968 Sb\n0.346430 0.689828 0.123032 Sb\n0.846430 0.810172 0.123032 Sb\n0.653570 0.310172 0.876968 Sb\n0.114128 0.800423 0.044213 Sb\n0.385872 0.300423 0.955787 Sb\n0.885872 0.199577 0.955787 Sb\n0.614128 0.699577 0.044213 Sb\n0.375961 0.316597 0.553925 Sb\n0.124039 0.816597 0.446075 Sb\n0.624039 0.683403 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