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{
"id": "mp-758621",
"created_at": "2022-09-04T14:48:22.564737Z",
"structure_string": "V4 C8 O24\n1.0\n-5.011878 5.011878 4.635057\n5.011878 -5.011878 4.635057\n5.011878 5.011878 -4.635057\nV C O\n4 8 24\ndirect\n0.404700 0.875000 0.029700 V\n0.125000 0.154700 0.529700 V\n0.845300 0.375000 0.970300 V\n0.625000 0.595300 0.470300 V\n0.947123 0.608211 0.765745 C\n0.391789 0.157534 0.338912 C\n0.431378 0.592466 0.734255 C\n0.842466 0.181378 0.234255 C\n0.818622 0.052877 0.661088 C\n0.302877 0.568622 0.161088 C\n0.407534 0.141789 0.838912 C\n0.858211 0.697123 0.265745 C\n0.529286 0.312535 0.357593 O\n0.134857 0.687672 0.856439 O\n0.482508 0.765686 0.847497 O\n0.828307 0.470714 0.783248 O\n0.331811 0.984314 0.216822 O\n0.528418 0.581233 0.643561 O\n0.015686 0.232508 0.347497 O\n0.295059 0.437465 0.716752 O\n0.687465 0.045059 0.216752 O\n0.954941 0.171693 0.642407 O\n0.312328 0.168767 0.447185 O\n0.421693 0.704941 0.142407 O\n0.721582 0.865143 0.552815 O\n0.115143 0.471582 0.052815 O\n0.937672 0.884857 0.356439 O\n0.562535 0.279286 0.857593 O\n0.234314 0.081811 0.716822 O\n0.364989 0.517492 0.283178 O\n0.418767 0.062328 0.947185 O\n0.918189 0.635011 0.152503 O\n0.720714 0.578307 0.283248 O\n0.767492 0.114989 0.783178 O\n0.885011 0.668189 0.652503 O\n0.831233 0.278418 0.143561 O\n",
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{
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"formula_full": "Fe10 O4 F16",
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{
"id": "mp-758207",
"created_at": "2022-09-04T14:48:23.768764Z",
"structure_string": "Li2 Mn3 P9 O28\n1.0\n7.084481 0.000000 0.000000\n-1.310221 8.792202 0.000000\n-2.985740 -3.719933 7.845126\nLi Mn P O\n2 3 9 28\ndirect\n0.711867 0.961332 0.227385 Li\n0.288133 0.038668 0.772615 Li\n0.500000 0.500000 0.000000 Mn\n0.240571 0.985790 0.240607 Mn\n0.759429 0.014210 0.759393 Mn\n0.301097 0.754767 0.445896 P\n0.785938 0.761335 0.931423 P\n0.689086 0.707633 0.421400 P\n0.157184 0.681196 0.893222 P\n0.000000 0.500000 0.500000 P\n0.310914 0.292367 0.578600 P\n0.842816 0.318804 0.106778 P\n0.698903 0.245233 0.554104 P\n0.214062 0.238665 0.068577 P\n0.400849 0.908190 0.616671 O\n0.902320 0.907687 0.107531 O\n0.285215 0.863314 0.022063 O\n0.810633 0.886493 0.560267 O\n0.726774 0.811857 0.784545 O\n0.227837 0.790647 0.289780 O\n0.655474 0.709249 0.251139 O\n0.119369 0.665443 0.707639 O\n0.587650 0.648297 0.911146 O\n0.107312 0.627757 0.428570 O\n0.463716 0.648187 0.426140 O\n0.931472 0.642525 0.896412 O\n0.235880 0.546224 0.934090 O\n0.781610 0.567931 0.458101 O\n0.764120 0.453776 0.065910 O\n0.218390 0.432069 0.541899 O\n0.536284 0.351813 0.573860 O\n0.068528 0.357475 0.103588 O\n0.412350 0.351703 0.088854 O\n0.892688 0.372243 0.571430 O\n0.344526 0.290751 0.748861 O\n0.880631 0.334557 0.292361 O\n0.273226 0.188143 0.215455 O\n0.772163 0.209353 0.710220 O\n0.714785 0.136686 0.977937 O\n0.189367 0.113507 0.439733 O\n0.599151 0.091810 0.383329 O\n0.097680 0.092313 0.892469 O\n",
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"volume": 488.658683306326,
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"formula_full": "Li2 Mn3 P9 O28",
"formula_reduced": "Li2Mn3P9O28",
"formula_anonymous": "A2B3C9D28",
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{
"id": "mp-1246260",
"created_at": "2022-09-04T14:48:22.705005Z",
"structure_string": "Sr40 Mn8 N32\n1.0\n9.796729 0.000000 -1.363538\n0.000000 15.636074 0.000000\n-3.938385 0.000000 12.772236\nSr Mn N\n40 8 32\ndirect\n0.431175 0.750000 0.718517 Sr\n0.568825 0.250000 0.281483 Sr\n0.486432 0.750000 0.166554 Sr\n0.513568 0.250000 0.833446 Sr\n0.150173 0.596661 0.772954 Sr\n0.849827 0.096661 0.227046 Sr\n0.849827 0.403339 0.227046 Sr\n0.150173 0.903339 0.772954 Sr\n0.728422 0.371066 0.562059 Sr\n0.271578 0.871066 0.437941 Sr\n0.271578 0.628934 0.437941 Sr\n0.728422 0.128934 0.562059 Sr\n0.863544 0.250000 0.820495 Sr\n0.136456 0.750000 0.179505 Sr\n0.204790 0.501119 0.031547 Sr\n0.795210 0.001119 0.968453 Sr\n0.795210 0.498881 0.968453 Sr\n0.204790 0.998881 0.031547 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.490026 0.386818 0.020179 Sr\n0.509974 0.886818 0.979821 Sr\n0.509974 0.613182 0.979821 Sr\n0.490026 0.113182 0.020179 Sr\n0.166010 0.355531 0.764552 Sr\n0.833990 0.855531 0.235448 Sr\n0.833990 0.644469 0.235448 Sr\n0.166010 0.144469 0.764552 Sr\n0.768955 0.632572 0.712202 Sr\n0.231045 0.132572 0.287798 Sr\n0.231045 0.367428 0.287798 Sr\n0.768955 0.867428 0.712202 Sr\n0.788646 0.750000 0.957251 Sr\n0.211354 0.250000 0.042749 Sr\n0.564956 0.485167 0.285046 Sr\n0.435045 0.985167 0.714955 Sr\n0.435045 0.514833 0.714955 Sr\n0.564956 0.014833 0.285046 Sr\n0.965235 0.250000 0.483764 Sr\n0.034765 0.750000 0.516236 Sr\n0.912528 0.456374 0.791421 Mn\n0.087472 0.956374 0.208579 Mn\n0.087472 0.543626 0.208579 Mn\n0.912528 0.043626 0.791421 Mn\n0.641542 0.750000 0.443749 Mn\n0.358458 0.250000 0.556251 Mn\n0.826583 0.250000 0.065145 Mn\n0.173417 0.750000 0.934855 Mn\n0.900060 0.250000 0.648269 N\n0.099940 0.750000 0.351731 N\n0.006508 0.750000 0.819372 N\n0.993492 0.250000 0.180628 N\n0.372629 0.371916 0.175244 N\n0.627371 0.871916 0.824756 N\n0.627371 0.628084 0.824756 N\n0.372629 0.128084 0.175244 N\n0.345690 0.484434 0.858335 N\n0.654310 0.984434 0.141665 N\n0.654310 0.515566 0.141665 N\n0.345690 0.015566 0.858335 N\n0.929012 0.490901 0.677175 N\n0.070988 0.990901 0.322825 N\n0.070988 0.509099 0.322825 N\n0.929012 0.009099 0.677175 N\n0.737535 0.340062 0.003226 N\n0.262465 0.840062 0.996774 N\n0.262465 0.659938 0.996774 N\n0.737535 0.159938 0.003226 N\n0.988095 0.608751 0.104033 N\n0.011905 0.108751 0.895967 N\n0.011905 0.391249 0.895967 N\n0.988095 0.891249 0.104033 N\n0.665598 0.750000 0.089462 N\n0.334402 0.250000 0.910538 N\n0.791117 0.383256 0.395961 N\n0.208883 0.883256 0.604039 N\n0.208883 0.616744 0.604039 N\n0.791117 0.116744 0.395961 N\n0.742144 0.750000 0.363381 N\n0.257856 0.250000 0.636619 N\n",
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"volume": 1872.5136343180088,
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"formula_full": "Sr40 Mn8 N32",
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"energy": -454.9119564900001,
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{
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"structure_string": "Sc3 Fe1 C4\n1.0\n-1.696812 2.178115 6.056786\n1.696812 -2.178115 6.056786\n1.696812 2.178115 -6.056786\nSc Fe C\n3 1 4\ndirect\n0.500000 0.000000 0.500000 Sc\n0.188500 0.188500 0.000000 Sc\n0.811500 0.811500 0.000000 Sc\n0.000000 0.500000 0.500000 Fe\n0.210283 0.376084 0.834199 C\n0.789717 0.623916 0.165801 C\n0.458115 0.623916 0.834199 C\n0.541885 0.376084 0.165801 C\n",
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"formula_full": "Sc3 Fe1 C4",
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{
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"structure_string": "Er4 Mn2 C8\n1.0\n-2.504427 3.773505 4.723655\n2.504427 -3.773505 4.723655\n2.504427 3.773505 -4.723655\nEr Mn C\n4 2 8\ndirect\n0.509554 0.854848 0.654705 Er\n0.490446 0.145152 0.345295 Er\n0.799857 0.645152 0.154705 Er\n0.200143 0.354848 0.845295 Er\n0.000000 0.250000 0.250000 Mn\n0.000000 0.750000 0.750000 Mn\n0.251092 0.579294 0.671799 C\n0.748908 0.420706 0.328201 C\n0.092505 0.920706 0.171799 C\n0.907495 0.079294 0.828201 C\n0.472263 0.629182 0.843080 C\n0.527737 0.370818 0.156920 C\n0.786102 0.129182 0.656920 C\n0.213898 0.870818 0.343080 C\n",
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{
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"structure_string": "Ce2 Ag2 Pb2\n1.0\n2.469219 -4.276813 0.000000\n2.469219 4.276813 0.000000\n0.000000 0.000000 7.616610\nCe Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.000657 Ce\n0.000000 0.000000 0.500657 Ce\n0.666667 0.333333 0.304315 Ag\n0.333333 0.666667 0.804315 Ag\n0.333333 0.666667 0.222128 Pb\n0.666667 0.333333 0.722128 Pb\n",
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{
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"structure_string": "Ti2 Nb6 S12\n1.0\n2.901761 -5.025998 0.000000\n2.901761 5.025998 0.000000\n0.000000 0.000000 12.556707\nTi Nb S\n2 6 12\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666667 0.998029 Nb\n0.666667 0.333333 0.001971 Nb\n0.666667 0.333333 0.498029 Nb\n0.333333 0.666667 0.501971 Nb\n0.331972 0.334172 0.373525 S\n0.665828 0.997800 0.373525 S\n0.002200 0.668028 0.373525 S\n0.334172 0.331972 0.626475 S\n0.997800 0.665828 0.626475 S\n0.668028 0.002200 0.626475 S\n0.668028 0.665828 0.873525 S\n0.334172 0.002200 0.873525 S\n0.997800 0.331972 0.873525 S\n0.665828 0.668028 0.126475 S\n0.002200 0.334172 0.126475 S\n0.331972 0.997800 0.126475 S\n",
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{
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