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{
"id": "mp-1225586",
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{
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{
"id": "mp-18525",
"created_at": "2022-09-04T14:39:38.873286Z",
"structure_string": "Tb4 Mn8 O20\n1.0\n5.793280 0.000000 0.000000\n0.000000 7.384931 0.000000\n0.000000 0.000000 8.592286\nTb Mn O\n4 8 20\ndirect\n0.000000 0.361971 0.670808 Tb\n0.000000 0.638029 0.329192 Tb\n0.000000 0.861971 0.829192 Tb\n0.000000 0.138029 0.170808 Tb\n0.500000 0.088778 0.848782 Mn\n0.500000 0.911222 0.151218 Mn\n0.500000 0.588778 0.651218 Mn\n0.500000 0.411222 0.348782 Mn\n0.253998 0.500000 0.000000 Mn\n0.746002 0.000000 0.500000 Mn\n0.746002 0.500000 0.000000 Mn\n0.253998 0.000000 0.500000 Mn\n0.241102 0.894144 0.293072 O\n0.241102 0.105856 0.706928 O\n0.758898 0.394144 0.206928 O\n0.758898 0.605856 0.793072 O\n0.758898 0.105856 0.706928 O\n0.758898 0.894144 0.293072 O\n0.241102 0.605856 0.793072 O\n0.241102 0.394144 0.206928 O\n0.500000 0.348911 0.930988 O\n0.500000 0.651089 0.069012 O\n0.500000 0.848911 0.569012 O\n0.500000 0.151089 0.430988 O\n0.271058 0.000000 0.000000 O\n0.728942 0.500000 0.500000 O\n0.728942 0.000000 0.000000 O\n0.271058 0.500000 0.500000 O\n0.000000 0.163070 0.443314 O\n0.000000 0.836930 0.556686 O\n0.000000 0.663070 0.056686 O\n0.000000 0.336930 0.943314 O\n",
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"formula_full": "Tb4 Mn8 O20",
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{
"id": "mp-8760",
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"structure_string": "Dy5 P12 Ru19\n1.0\n6.266573 -10.854023 0.000000\n6.266573 10.854023 0.000000\n0.000000 0.000000 3.984727\nDy P Ru\n5 12 19\ndirect\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.000000 Dy\n0.816165 0.000000 0.500000 Dy\n0.183835 0.183835 0.500000 Dy\n0.000000 0.816165 0.500000 Dy\n0.626778 0.000000 0.000000 P\n0.373222 0.373222 0.000000 P\n0.000000 0.626778 0.000000 P\n0.694231 0.522766 0.500000 P\n0.828536 0.305769 0.500000 P\n0.305769 0.828536 0.500000 P\n0.522766 0.694231 0.500000 P\n0.184542 0.000000 0.000000 P\n0.815458 0.815458 0.000000 P\n0.000000 0.184542 0.000000 P\n0.477234 0.171464 0.500000 P\n0.171464 0.477234 0.500000 P\n0.623213 0.808312 0.000000 Ru\n0.185099 0.376787 0.000000 Ru\n0.376787 0.185099 0.000000 Ru\n0.191688 0.814901 0.000000 Ru\n0.808312 0.623213 0.000000 Ru\n0.873867 0.507567 0.500000 Ru\n0.492433 0.366300 0.500000 Ru\n0.633700 0.126133 0.500000 Ru\n0.126133 0.633700 0.500000 Ru\n0.366300 0.492433 0.500000 Ru\n0.507567 0.873867 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.717370 0.717370 0.500000 Ru\n0.000000 0.282630 0.500000 Ru\n0.445011 0.000000 0.000000 Ru\n0.554989 0.554989 0.000000 Ru\n0.000000 0.445011 0.000000 Ru\n0.814901 0.191688 0.000000 Ru\n0.282630 0.000000 0.500000 Ru\n",
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"elements": [
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"chemical_system": "Dy-P-Ru",
"density": 9.510283672393257,
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"formula_full": "Dy5 P12 Ru19",
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"energy": -295.3053776,
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{
"id": "mp-862747",
"created_at": "2022-09-04T14:39:39.113382Z",
"structure_string": "Sr2 Pt1 Au1\n1.0\n0.000000 3.766351 3.766351\n3.766351 0.000000 3.766351\n3.766351 3.766351 0.000000\nSr Pt Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
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{
"id": "mp-866539",
"created_at": "2022-09-04T14:39:38.929903Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n3.783912 0.000000 0.000000\n0.000000 12.579130 0.000000\n0.000000 0.000000 14.017623\nCa Sn S\n8 4 16\ndirect\n0.250000 0.101919 0.913687 Ca\n0.250000 0.601919 0.586313 Ca\n0.750000 0.898081 0.086313 Ca\n0.750000 0.398081 0.413687 Ca\n0.250000 0.066482 0.372977 Ca\n0.250000 0.566482 0.127023 Ca\n0.750000 0.933518 0.627023 Ca\n0.750000 0.433518 0.872977 Ca\n0.250000 0.777074 0.334476 Sn\n0.250000 0.277074 0.165524 Sn\n0.750000 0.222926 0.665524 Sn\n0.750000 0.722926 0.834476 Sn\n0.250000 0.292692 0.795635 S\n0.250000 0.792692 0.704365 S\n0.750000 0.707308 0.204365 S\n0.750000 0.207308 0.295635 S\n0.250000 0.369277 0.563221 S\n0.250000 0.869277 0.936779 S\n0.750000 0.630723 0.436779 S\n0.750000 0.130723 0.063221 S\n0.250000 0.936026 0.221876 S\n0.250000 0.436026 0.278124 S\n0.750000 0.063974 0.778124 S\n0.750000 0.563974 0.721876 S\n0.250000 0.103923 0.570068 S\n0.250000 0.603923 0.929932 S\n0.750000 0.896077 0.429932 S\n0.750000 0.396077 0.070068 S\n",
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"formula_full": "Ca8 Sn4 S16",
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{
"id": "mp-1226377",
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"structure_string": "Cr2 Fe8 Sb20\n1.0\n0.000000 0.000000 3.182701\n5.905735 -0.000814 0.000000\n-0.004494 33.007528 0.000000\nCr Fe Sb\n2 8 20\ndirect\n0.500000 0.500102 0.099802 Cr\n0.500000 0.499898 0.300198 Cr\n0.500000 0.499678 0.500144 Fe\n0.500000 0.500000 0.700000 Fe\n0.500000 0.500322 0.899856 Fe\n0.000000 0.998884 0.998508 Fe\n0.000000 0.000000 0.200000 Fe\n0.000000 0.001116 0.401492 Fe\n0.000000 0.000045 0.600008 Fe\n0.000000 0.999955 0.799992 Fe\n0.500000 0.694948 0.026567 Sb\n0.500000 0.695100 0.227214 Sb\n0.500000 0.690772 0.429748 Sb\n0.500000 0.690753 0.629264 Sb\n0.500000 0.691018 0.829018 Sb\n0.500000 0.304900 0.172786 Sb\n0.500000 0.305052 0.373433 Sb\n0.500000 0.308982 0.570982 Sb\n0.500000 0.309247 0.770736 Sb\n0.500000 0.309228 0.970252 Sb\n0.000000 0.178286 0.068713 Sb\n0.000000 0.177967 0.269562 Sb\n0.000000 0.191400 0.471572 Sb\n0.000000 0.190958 0.670805 Sb\n0.000000 0.191221 0.870713 Sb\n0.000000 0.822033 0.130438 Sb\n0.000000 0.821714 0.331287 Sb\n0.000000 0.808779 0.529287 Sb\n0.000000 0.809042 0.729195 Sb\n0.000000 0.808600 0.928428 Sb\n",
"nsites": 30,
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"volume": 620.4157128435256,
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"formula_full": "Cr2 Fe8 Sb20",
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{
"id": "mp-8829",
"created_at": "2022-09-04T14:39:38.957351Z",
"structure_string": "Cr4 Ga4 Se12\n1.0\n3.796335 0.000000 0.000000\n0.000000 10.389217 0.000000\n0.000000 0.000000 12.572385\nCr Ga Se\n4 4 12\ndirect\n0.250000 0.404773 0.610426 Cr\n0.750000 0.595227 0.389574 Cr\n0.250000 0.904773 0.889574 Cr\n0.750000 0.095227 0.110426 Cr\n0.750000 0.266656 0.794070 Ga\n0.250000 0.733344 0.205930 Ga\n0.750000 0.766656 0.705930 Ga\n0.250000 0.233344 0.294070 Ga\n0.250000 0.928421 0.094221 Se\n0.750000 0.071579 0.905779 Se\n0.250000 0.428421 0.405779 Se\n0.750000 0.571579 0.594221 Se\n0.750000 0.088528 0.317544 Se\n0.250000 0.911472 0.682456 Se\n0.750000 0.588528 0.182456 Se\n0.250000 0.411472 0.817544 Se\n0.250000 0.260755 0.103555 Se\n0.750000 0.739245 0.896445 Se\n0.250000 0.760755 0.396445 Se\n0.750000 0.239245 0.603555 Se\n",
"nsites": 20,
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"volume": 495.86678452583163,
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"formula_full": "Cr4 Ga4 Se12",
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"spacegroup": 62
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{
"id": "mp-1225218",
"created_at": "2022-09-04T14:39:38.975538Z",
"structure_string": "Er1 Fe10 Mo2\n1.0\n0.000000 0.000000 4.739960\n-4.274062 4.260333 2.369980\n-4.274062 -4.260333 -2.369980\nEr Fe Mo\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.717606 0.782394 0.217606 Fe\n0.282394 0.217606 0.782394 Fe\n0.500000 0.778057 0.778057 Fe\n0.500000 0.221943 0.221943 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.641366 0.358634 0.641366 Fe\n0.358634 0.641366 0.358634 Fe\n0.000000 0.357124 0.357124 Mo\n0.000000 0.642876 0.642876 Mo\n",
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{
"id": "mp-686056",
"created_at": "2022-09-04T14:39:38.991871Z",
"structure_string": "Fe2 Mo12 Se16\n1.0\n6.836795 0.000000 0.000000\n-0.976793 9.565344 0.000000\n-0.197066 -0.075514 9.720576\nFe Mo Se\n2 12 16\ndirect\n0.116981 0.773378 0.261740 Fe\n0.883019 0.226622 0.738260 Fe\n0.457128 0.673926 0.093524 Mo\n0.764232 0.519564 0.071334 Mo\n0.417496 0.390987 0.156303 Mo\n0.582368 0.107578 0.345569 Mo\n0.468179 0.175030 0.597251 Mo\n0.233285 0.984647 0.432429 Mo\n0.766715 0.015353 0.567571 Mo\n0.531821 0.824970 0.402749 Mo\n0.417632 0.892422 0.654431 Mo\n0.582504 0.609013 0.843697 Mo\n0.235768 0.480436 0.928666 Mo\n0.542872 0.326074 0.906476 Mo\n0.793011 0.779240 0.010186 Se\n0.126326 0.536322 0.179415 Se\n0.626997 0.571396 0.309238 Se\n0.727166 0.257143 0.127914 Se\n0.277238 0.245651 0.379718 Se\n0.379742 0.935678 0.178768 Se\n0.797825 0.285181 0.501907 Se\n0.866166 0.945227 0.318835 Se\n0.133834 0.054773 0.681165 Se\n0.202175 0.714819 0.498093 Se\n0.620258 0.064322 0.821232 Se\n0.722762 0.754349 0.620282 Se\n0.272834 0.742857 0.872086 Se\n0.373003 0.428604 0.690762 Se\n0.873674 0.463678 0.820585 Se\n0.206989 0.220760 0.989814 Se\n",
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"elements": [
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