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{
"id": "mp-38021",
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"structure_string": "Cr2 As1 Se1\n1.0\n3.766159 0.000000 0.000000\n-1.883079 3.261589 0.000000\n0.000000 0.000000 6.234445\nCr As Se\n2 1 1\ndirect\n0.000000 0.000000 0.992003 Cr\n0.000000 0.000000 0.507997 Cr\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 Se\n",
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{
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"formula_full": "Cr2 Ag6 Cl2 O8",
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{
"id": "mp-1226303",
"created_at": "2022-09-04T14:45:22.024626Z",
"structure_string": "Cr2 Ag2 Sn2 Se8\n1.0\n-3.896418 3.980972 5.549001\n3.896418 -3.980972 5.549001\n3.896418 3.980972 -5.549001\nCr Ag Sn Se\n2 2 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.882547 0.632547 0.250000 Ag\n0.117453 0.367453 0.750000 Ag\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.729941 0.738124 0.508183 Se\n0.729941 0.221758 0.991817 Se\n0.717185 0.753112 0.964073 Se\n0.289039 0.753112 0.535927 Se\n0.270059 0.261876 0.491817 Se\n0.270059 0.778242 0.008183 Se\n0.282815 0.246888 0.035927 Se\n0.710961 0.246888 0.464073 Se\n",
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"formula_full": "Cr2 Ag2 Sn2 Se8",
"formula_reduced": "CrAgSnSe4",
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"spacegroup": 74
},
{
"id": "mp-1226317",
"created_at": "2022-09-04T14:44:54.002002Z",
"structure_string": "Cr2 Ag2 Sn2 Se4 S4\n1.0\n-3.800529 3.889300 5.415622\n3.800529 -3.889300 5.415622\n3.800529 3.889300 -5.415622\nCr Ag Sn Se S\n2 2 2 4 4\ndirect\n0.370488 0.629711 0.259223 Cr\n0.370488 0.111266 0.740777 Cr\n0.758239 0.258239 0.500000 Ag\n0.993866 0.993866 0.000000 Ag\n0.887136 0.629763 0.257373 Sn\n0.372390 0.629763 0.742627 Sn\n0.605429 0.363157 0.757728 Se\n0.605429 0.847701 0.242272 Se\n0.163364 0.378141 0.785224 Se\n0.592917 0.378141 0.214776 Se\n0.145621 0.883503 0.737881 S\n0.145621 0.407740 0.262119 S\n0.581033 0.869505 0.711527 S\n0.157978 0.869505 0.288473 S\n",
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"formula_full": "Cr2 Ag2 Sn2 Se4 S4",
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},
{
"id": "mp-1226291",
"created_at": "2022-09-04T14:42:44.220848Z",
"structure_string": "Cr2 Ag2 Sn2 S8\n1.0\n-3.678388 3.788110 5.265035\n3.678388 -3.788110 5.265035\n3.678388 3.788110 -5.265035\nCr Ag Sn S\n2 2 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.884819 0.634819 0.250000 Ag\n0.115181 0.365181 0.750000 Ag\n0.500000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.730000 0.740012 0.510012 S\n0.730000 0.219988 0.989988 S\n0.718458 0.755039 0.963420 S\n0.291619 0.755039 0.536580 S\n0.270000 0.259988 0.489988 S\n0.270000 0.780012 0.010012 S\n0.281542 0.244961 0.036580 S\n0.708381 0.244961 0.463420 S\n",
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"density_atomic": 0.04770750044343893,
"volume": 293.45490478165215,
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"formula_full": "Cr2 Ag2 Sn2 S8",
"formula_reduced": "CrAgSnS4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:35:54.922000Z",
"spacegroup": 74
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{
"id": "mp-4182",
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"structure_string": "Cr2 Ag2 S4\n1.0\n2.938308 1.771264 0.859948\n-2.938310 1.771265 -0.859944\n-5.836523 0.000017 12.501413\nCr Ag S\n2 2 4\ndirect\n0.499408 0.500587 0.499472 Cr\n0.999406 0.000605 0.999469 Cr\n0.076261 0.923736 0.230222 Ag\n0.576262 0.423736 0.730228 Ag\n0.135067 0.864934 0.408845 S\n0.635063 0.364940 0.908845 S\n0.366665 0.633333 0.097859 S\n0.866668 0.133329 0.597860 S\n",
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"formula_full": "Cr2 Ag2 S4",
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},
{
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"structure_string": "Cr2 Ag2 P4 S12\n1.0\n10.679795 0.000000 0.000000\n0.000000 5.969653 0.000000\n0.000000 1.853186 7.130705\nCr Ag P S\n2 2 4 12\ndirect\n0.917791 0.750000 0.000000 Cr\n0.082209 0.250000 0.000000 Cr\n0.561349 0.750000 0.000000 Ag\n0.438651 0.250000 0.000000 Ag\n0.244356 0.792661 0.844373 P\n0.755644 0.207339 0.155627 P\n0.755644 0.292661 0.844373 P\n0.244356 0.707339 0.155627 P\n0.074279 0.984114 0.795820 S\n0.769048 0.520820 0.218645 S\n0.230952 0.479180 0.781355 S\n0.393062 0.524060 0.263009 S\n0.925721 0.015886 0.204180 S\n0.230952 0.020820 0.218645 S\n0.606938 0.475940 0.736991 S\n0.925721 0.484114 0.795820 S\n0.074279 0.515886 0.204180 S\n0.393062 0.975940 0.736991 S\n0.606938 0.024060 0.263009 S\n0.769048 0.979180 0.781355 S\n",
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{
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"structure_string": "Cr2 Ag2 O8\n1.0\n2.932119 -4.229873 0.000000\n2.932119 4.229873 0.000000\n0.000000 0.000000 7.109523\nCr Ag O\n2 2 8\ndirect\n0.647344 0.352656 0.250000 Cr\n0.352656 0.647344 0.750000 Cr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.297934 0.230889 0.250000 O\n0.230889 0.297934 0.750000 O\n0.243890 0.756110 0.554742 O\n0.756110 0.243890 0.054742 O\n0.243890 0.756110 0.945258 O\n0.756110 0.243890 0.445258 O\n0.702066 0.769111 0.750000 O\n0.769111 0.702066 0.250000 O\n",
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"formula_full": "Cr2 Ag2 O8",
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{
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"updated_at": "2021-11-28T01:36:09.649000Z",
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{
"id": "mp-1238831",
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"structure_string": "Cr2 Ag1 S4\n1.0\n3.469941 0.000000 0.000000\n0.000000 5.948090 0.000000\n0.000000 0.205691 6.379460\nCr Ag S\n2 1 4\ndirect\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ag\n0.000000 0.330076 0.205954 S\n0.500000 0.825620 0.209019 S\n0.500000 0.174380 0.790981 S\n0.000000 0.669924 0.794046 S\n",
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"formula_full": "Cr2 Ag1 S4",
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{
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"structure_string": "Cr2 Ag1 S4\n1.0\n1.738912 6.905576 0.000000\n-1.738912 6.905576 0.000000\n0.000000 2.399375 5.398270\nCr Ag S\n2 1 4\ndirect\n0.759073 0.759073 0.223102 Cr\n0.240927 0.240927 0.776898 Cr\n0.500000 0.500000 0.500000 Ag\n0.362214 0.362214 0.974021 S\n0.637786 0.637786 0.025979 S\n0.847133 0.847133 0.495729 S\n0.152867 0.152867 0.504271 S\n",
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{
"id": "mp-559885",
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"structure_string": "Cr2 Ag1 Bi1 O8\n1.0\n-2.569849 2.569849 5.913139\n2.569849 -2.569849 5.913139\n2.569849 2.569849 -5.913139\nCr Ag Bi O\n2 1 1 8\ndirect\n0.250000 0.750000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000000 Bi\n0.452010 0.589319 0.381067 O\n0.794534 0.169905 0.114771 O\n0.929058 0.547990 0.137309 O\n0.410681 0.791749 0.862691 O\n0.830095 0.944867 0.624630 O\n0.208251 0.070942 0.618933 O\n0.320237 0.205466 0.375370 O\n0.055133 0.679763 0.885229 O\n",
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}
]
}