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{
"id": "mp-1232870",
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"structure_string": "Cr4 Ag4 S8\n1.0\n-2.943553 1.771647 -0.865417\n-5.840305 -3.485863 5.451604\n2.904164 5.205638 7.996140\nCr Ag S\n4 4 8\ndirect\n0.496908 0.502796 0.495708 Cr\n0.253256 0.247622 0.753754 Cr\n0.996958 0.002683 0.995749 Cr\n0.753214 0.747565 0.253708 Cr\n0.965941 0.263458 0.192968 Ag\n0.709315 0.024269 0.441234 Ag\n0.465919 0.763505 0.692959 Ag\n0.209359 0.524181 0.941236 Ag\n0.934365 0.472044 0.338503 S\n0.682551 0.228792 0.592514 S\n0.434216 0.972066 0.838515 S\n0.182491 0.728725 0.092457 S\n0.567181 0.027816 0.162347 S\n0.315279 0.785584 0.416250 S\n0.067165 0.527909 0.662336 S\n0.815281 0.285584 0.916362 S\n",
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{
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"structure_string": "Cr4 Ag2 S8\n1.0\n0.000000 5.091867 5.091867\n5.091867 0.000000 5.091867\n5.091867 5.091867 0.000000\nCr Ag S\n4 2 8\ndirect\n0.125000 0.125000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 Ag\n0.359848 0.359848 0.359848 S\n0.329544 0.890152 0.890152 S\n0.890152 0.890152 0.329544 S\n0.890152 0.329544 0.890152 S\n0.359848 0.359848 0.920456 S\n0.359848 0.920456 0.359848 S\n0.890152 0.890152 0.890152 S\n0.920456 0.359848 0.359848 S\n",
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{
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"structure_string": "Cr10 Ag2 S16\n1.0\n6.945694 0.000000 0.000000\n0.000000 6.058173 0.000000\n0.000000 1.928851 12.472394\nCr Ag S\n10 2 16\ndirect\n0.250000 0.062126 0.780081 Cr\n0.500000 0.500000 0.000000 Cr\n0.497860 0.589079 0.761874 Cr\n0.750000 0.064637 0.777174 Cr\n0.000000 0.500000 0.000000 Cr\n0.002140 0.589079 0.761874 Cr\n0.502140 0.410921 0.238126 Cr\n0.750000 0.937874 0.219919 Cr\n0.997860 0.410921 0.238126 Cr\n0.250000 0.935363 0.222826 Cr\n0.250000 0.161505 0.530165 Ag\n0.750000 0.838495 0.469835 Ag\n0.250000 0.218024 0.334358 S\n0.250000 0.376938 0.886616 S\n0.500688 0.731204 0.324528 S\n0.501404 0.858213 0.883089 S\n0.750000 0.218753 0.335745 S\n0.498596 0.141787 0.116911 S\n0.750000 0.375891 0.885560 S\n0.499312 0.268796 0.675472 S\n0.999312 0.731204 0.324528 S\n0.750000 0.623062 0.113384 S\n0.998596 0.858213 0.883089 S\n0.750000 0.781976 0.665642 S\n0.001404 0.141787 0.116911 S\n0.000688 0.268796 0.675472 S\n0.250000 0.624109 0.114440 S\n0.250000 0.781247 0.664255 S\n",
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"formula_full": "Cr10 Ag2 S16",
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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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},
{
"id": "mp-1232653",
"created_at": "2022-09-04T14:39:45.264560Z",
"structure_string": "Cr4 Ag4 S8\n1.0\n-5.845138 0.002062 -1.702044\n0.002362 -6.961607 0.000443\n-2.946919 1.740991 6.333255\nCr Ag S\n4 4 8\ndirect\n0.000304 0.504834 0.999880 Cr\n0.500131 0.244857 0.999895 Cr\n0.500104 0.745006 0.999930 Cr\n0.000365 0.005028 0.999696 Cr\n0.423408 0.865802 0.461907 Ag\n0.923785 0.615442 0.462056 Ag\n0.423441 0.365873 0.462015 Ag\n0.923856 0.115383 0.462029 Ag\n0.364079 0.949357 0.814255 S\n0.863951 0.707646 0.814505 S\n0.364080 0.449337 0.814367 S\n0.863906 0.207630 0.814419 S\n0.634786 0.545706 0.196483 S\n0.134714 0.302607 0.196653 S\n0.634849 0.045712 0.196551 S\n0.134640 0.802579 0.196561 S\n",
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"formula_full": "Cr4 Ag4 S8",
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{
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"created_at": "2022-09-04T14:46:37.161719Z",
"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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{
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"structure_string": "Cr8 Ag4 S16\n1.0\n5.912045 0.000000 0.000000\n0.000000 6.885653 0.000000\n0.000000 0.000000 13.147424\nCr Ag S\n8 4 16\ndirect\n0.992571 0.000000 0.245395 Cr\n0.992571 0.000000 0.754605 Cr\n0.007429 0.500000 0.254605 Cr\n0.007429 0.500000 0.745395 Cr\n0.500000 0.250000 0.250000 Cr\n0.500000 0.750000 0.750000 Cr\n0.500000 0.750000 0.250000 Cr\n0.500000 0.250000 0.750000 Cr\n0.351228 0.000000 0.000000 Ag\n0.648772 0.500000 0.500000 Ag\n0.035904 0.000000 0.500000 Ag\n0.964096 0.500000 0.000000 Ag\n0.833259 0.251007 0.352510 S\n0.833259 0.748993 0.647490 S\n0.166741 0.751007 0.147490 S\n0.166741 0.248993 0.852510 S\n0.166741 0.248993 0.147490 S\n0.166741 0.751007 0.852510 S\n0.833259 0.748993 0.352510 S\n0.833259 0.251007 0.647490 S\n0.659174 0.000000 0.148908 S\n0.659174 0.000000 0.851092 S\n0.340826 0.500000 0.351092 S\n0.340826 0.500000 0.648908 S\n0.326012 0.000000 0.348002 S\n0.326012 0.000000 0.651998 S\n0.673988 0.500000 0.151998 S\n0.673988 0.500000 0.848002 S\n",
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"formula_full": "Cr8 Ag4 S16",
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{
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"structure_string": "Cr1 Ag1 S2\n1.0\n7.264213 -1.713081 0.000000\n7.264213 1.713081 0.000000\n6.860227 0.000000 2.939512\nCr Ag S\n1 1 2\ndirect\n0.857210 0.857210 0.857210 Cr\n0.014018 0.014018 0.014018 Ag\n0.128029 0.128029 0.128029 S\n0.260742 0.260742 0.260742 S\n",
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{
"id": "mp-3532",
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"structure_string": "Cr1 Ag1 Se2\n1.0\n7.126700 -1.881016 0.000000\n7.126700 1.881016 0.000000\n6.630226 0.000000 3.219965\nCr Ag Se\n1 1 2\ndirect\n0.999842 0.999842 0.999842 Cr\n0.849437 0.849437 0.849437 Ag\n0.728209 0.728209 0.728209 Se\n0.266712 0.266712 0.266712 Se\n",
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"formula_full": "Cr1 Ag1 Se2",
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{
"id": "mp-570708",
"created_at": "2022-09-04T14:42:15.385919Z",
"structure_string": "Cr1 Ag1 Se2\n1.0\n7.689242 -1.792872 0.000000\n7.689242 1.792872 0.000000\n7.271205 0.000000 3.077079\nCr Ag Se\n1 1 2\ndirect\n0.257391 0.257391 0.257391 Cr\n0.747906 0.747906 0.747906 Ag\n0.860483 0.860483 0.860483 Se\n0.994221 0.994221 0.994221 Se\n",
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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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{
"id": "mp-1226317",
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"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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"formula_anonymous": "ABCD2E2",
"energy": -73.31692495,
"energy_per_atom": -5.236923210714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.41692495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.450000Z",
"spacegroup": 44
}
]
}