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{
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{
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"updated_at": "2021-11-28T01:36:43.565000Z",
"spacegroup": 10
},
{
"id": "mp-1246366",
"created_at": "2022-09-04T14:44:30.729174Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n-3.572438 -6.187687 -0.000045\n-5.300685 3.060364 0.126791\n0.102140 -0.059042 -6.564361\nZr Cr Ag S\n2 2 2 8\ndirect\n0.764711 0.500014 0.499997 Zr\n0.483637 0.000010 0.499995 Zr\n0.247702 0.499999 0.500012 Cr\n0.002044 0.999975 0.499989 Cr\n0.006358 0.000001 0.999996 Ag\n0.493432 0.999993 0.999996 Ag\n0.015287 0.315973 0.286648 S\n0.490967 0.337602 0.280052 S\n0.236071 0.813171 0.282058 S\n0.758740 0.836214 0.277742 S\n0.236065 0.186820 0.717960 S\n0.758737 0.163802 0.722255 S\n0.490959 0.662407 0.719941 S\n0.015288 0.684019 0.713358 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.3902348125518715,
"density_atomic": 0.048786374985319146,
"volume": 286.96536695364017,
"volume_molar": 12.343898807427667,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:36:39.542000Z",
"spacegroup": 3
},
{
"id": "mp-1246696",
"created_at": "2022-09-04T14:40:43.534000Z",
"structure_string": "Zr8 Cr8 Ag8 S32\n1.0\n11.989212 -0.036607 -0.091421\n-0.021613 7.100423 0.015082\n-0.093885 0.025440 13.090698\nZr Cr Ag S\n8 8 8 32\ndirect\n0.118665 0.901828 0.682491 Zr\n0.889269 0.109179 0.186683 Zr\n0.381943 0.890355 0.186642 Zr\n0.607471 0.087141 0.691753 Zr\n0.887566 0.609674 0.835968 Zr\n0.396267 0.382395 0.835955 Zr\n0.624771 0.600071 0.342198 Zr\n0.881203 0.390542 0.493854 Zr\n0.125776 0.364815 0.335159 Cr\n0.157896 0.630520 0.938833 Cr\n0.336976 0.625029 0.439860 Cr\n0.661541 0.368799 0.941575 Cr\n0.126880 0.148505 0.039191 Cr\n0.851950 0.923714 0.470475 Cr\n0.352376 0.116177 0.458041 Cr\n0.622419 0.862607 0.025524 Cr\n0.111989 0.360405 0.658051 Ag\n0.882410 0.615756 0.171076 Ag\n0.390657 0.392933 0.162303 Ag\n0.602618 0.639626 0.672731 Ag\n0.118335 0.877767 0.312470 Ag\n0.886300 0.130022 0.822334 Ag\n0.382302 0.883328 0.809840 Ag\n0.610653 0.122992 0.303987 Ag\n0.031448 0.864068 0.868076 S\n0.974752 0.133629 0.376579 S\n0.462575 0.866457 0.378896 S\n0.534349 0.119127 0.883742 S\n0.042681 0.353630 0.163355 S\n0.964409 0.602627 0.647696 S\n0.469881 0.366654 0.660316 S\n0.543282 0.659619 0.159204 S\n0.024904 0.381233 0.915791 S\n0.989857 0.597264 0.376083 S\n0.472965 0.391888 0.409764 S\n0.531040 0.614001 0.912795 S\n0.025822 0.890125 0.122534 S\n0.954658 0.084883 0.611807 S\n0.460233 0.895770 0.620068 S\n0.521751 0.110515 0.123992 S\n0.221591 0.868790 0.511557 S\n0.765401 0.118530 0.025627 S\n0.264841 0.884879 0.021130 S\n0.715379 0.144189 0.517374 S\n0.226470 0.368009 0.494134 S\n0.770040 0.626741 0.003931 S\n0.269749 0.377819 0.000944 S\n0.733447 0.655360 0.510767 S\n0.233676 0.143992 0.761102 S\n0.774206 0.874961 0.301116 S\n0.269916 0.138798 0.291577 S\n0.743444 0.861029 0.766779 S\n0.239255 0.622607 0.780151 S\n0.765856 0.375081 0.293111 S\n0.257959 0.601003 0.280185 S\n0.735931 0.372538 0.780829 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
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"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.522401346199431,
"density_atomic": 0.05025507229795599,
"volume": 1114.315380305953,
"volume_molar": 11.98315012720604,
"formula_full": "Zr8 Cr8 Ag8 S32",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -357.33478145,
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"formation_energy": null,
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"energy_uncorrected": -341.23878145,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:10.325000Z",
"spacegroup": 1
}
]
}