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{
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{
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{
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"structure_string": "Na4 V8 O16\n1.0\n5.092221 -0.000028 -0.000288\n-0.000027 6.065161 -0.000043\n-0.000621 -0.000101 11.493601\nNa V O\n4 8 16\ndirect\n0.026146 0.750004 0.249796 Na\n0.973874 0.249999 0.750209 Na\n0.350377 0.750011 0.750245 Na\n0.649646 0.249991 0.249741 Na\n0.009007 0.250001 0.491998 V\n0.990957 0.749998 0.508024 V\n0.500042 0.000003 0.500036 V\n0.500041 0.499995 0.500034 V\n0.009217 0.249996 0.008114 V\n0.990784 0.749999 0.991878 V\n0.500011 0.500000 0.999962 V\n0.500022 0.000004 0.999959 V\n0.322367 0.249996 0.093758 O\n0.322527 0.250008 0.406540 O\n0.677351 0.750045 0.593503 O\n0.677588 0.749948 0.906202 O\n0.313352 0.750000 0.083448 O\n0.313087 0.750008 0.416592 O\n0.686929 0.249991 0.583388 O\n0.686643 0.250003 0.916522 O\n0.158462 0.003286 0.592656 O\n0.158670 0.003333 0.907191 O\n0.158446 0.496716 0.592657 O\n0.158679 0.496665 0.907192 O\n0.841549 0.996762 0.407363 O\n0.841567 0.503235 0.407360 O\n0.841336 0.996666 0.092816 O\n0.841323 0.503335 0.092813 O\n",
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{
"id": "mp-624218",
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"structure_string": "P12 S4 N16 Cl20 O4\n1.0\n8.080117 0.000000 0.000000\n0.000000 9.170885 0.000000\n0.000000 0.000000 17.569614\nP S N Cl O\n12 4 16 20 4\ndirect\n0.283091 0.901992 0.855080 P\n0.216909 0.598008 0.355080 P\n0.527673 0.750000 0.933955 P\n0.716909 0.098008 0.144920 P\n0.283091 0.598008 0.855080 P\n0.716909 0.401992 0.144920 P\n0.027673 0.250000 0.566045 P\n0.972327 0.750000 0.433955 P\n0.472327 0.250000 0.066045 P\n0.216909 0.901992 0.355080 P\n0.783091 0.401992 0.644920 P\n0.783091 0.098008 0.644920 P\n0.609661 0.250000 0.913208 S\n0.390339 0.750000 0.086792 S\n0.890339 0.250000 0.413208 S\n0.109661 0.750000 0.586792 S\n0.698121 0.250000 0.666335 N\n0.049420 0.899596 0.402929 N\n0.301879 0.750000 0.333665 N\n0.450580 0.600404 0.902929 N\n0.032706 0.250000 0.470358 N\n0.967294 0.750000 0.529642 N\n0.950580 0.399596 0.597071 N\n0.532706 0.750000 0.029642 N\n0.450580 0.899596 0.902929 N\n0.467294 0.250000 0.970358 N\n0.549420 0.100404 0.097071 N\n0.801879 0.250000 0.166335 N\n0.549420 0.399596 0.097071 N\n0.198121 0.750000 0.833665 N\n0.049420 0.600404 0.402929 N\n0.950580 0.100404 0.597071 N\n0.384448 0.470967 0.407850 Cl\n0.884448 0.970967 0.092150 Cl\n0.320326 0.019059 0.759035 Cl\n0.771809 0.750000 0.911460 Cl\n0.728191 0.750000 0.411460 Cl\n0.884448 0.529033 0.092150 Cl\n0.115552 0.029033 0.907850 Cl\n0.384448 0.029033 0.407850 Cl\n0.115552 0.470967 0.907850 Cl\n0.179674 0.480941 0.259035 Cl\n0.271809 0.250000 0.588540 Cl\n0.179674 0.019059 0.259035 Cl\n0.679674 0.519059 0.240965 Cl\n0.679674 0.980941 0.240965 Cl\n0.320326 0.480941 0.759035 Cl\n0.228191 0.250000 0.088540 Cl\n0.820326 0.519059 0.740965 Cl\n0.820326 0.980941 0.740965 Cl\n0.615552 0.970967 0.592150 Cl\n0.615552 0.529033 0.592150 Cl\n0.219581 0.750000 0.058875 O\n0.780419 0.250000 0.941125 O\n0.719581 0.250000 0.441125 O\n0.280419 0.750000 0.558875 O\n",
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"formula_full": "P12 S4 N16 Cl20 O4",
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{
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"created_at": "2022-09-04T14:46:12.309920Z",
"structure_string": "Cr6 P2 N2\n1.0\n1.582692 -4.694213 0.000000\n1.582692 4.694213 0.000000\n0.000000 0.000000 7.105107\nCr P N\n6 2 2\ndirect\n0.939703 0.060297 0.250000 Cr\n0.060297 0.939703 0.750000 Cr\n0.626846 0.373154 0.449591 Cr\n0.373154 0.626846 0.550409 Cr\n0.626846 0.373154 0.050409 Cr\n0.373154 0.626846 0.949591 Cr\n0.252234 0.747766 0.250000 P\n0.747766 0.252234 0.750000 P\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Sm18 C18 O72\n1.0\n6.188111 -10.718123 0.000000\n6.188111 10.718123 0.000000\n0.000000 0.000000 9.821997\nSm C O\n18 18 72\ndirect\n0.785030 0.221788 0.760066 Sm\n0.436758 0.214970 0.760066 Sm\n0.778212 0.563242 0.760066 Sm\n0.785030 0.221788 0.239934 Sm\n0.436758 0.214970 0.239934 Sm\n0.778212 0.563242 0.239934 Sm\n0.451120 0.555546 0.743263 Sm\n0.104426 0.548880 0.743263 Sm\n0.444454 0.895574 0.743263 Sm\n0.451120 0.555546 0.256737 Sm\n0.104426 0.548880 0.256737 Sm\n0.444454 0.895574 0.256737 Sm\n0.770090 0.891230 0.743656 Sm\n0.121139 0.229910 0.743656 Sm\n0.108770 0.878861 0.743656 Sm\n0.770090 0.891230 0.256344 Sm\n0.121139 0.229910 0.256344 Sm\n0.108770 0.878861 0.256344 Sm\n0.313704 0.470513 0.000000 C\n0.156810 0.686296 0.000000 C\n0.529487 0.843190 0.000000 C\n0.869592 0.424054 0.000000 C\n0.554461 0.130408 0.000000 C\n0.575946 0.445539 0.000000 C\n0.830258 0.029042 0.000000 C\n0.198785 0.169742 0.000000 C\n0.970958 0.801215 0.000000 C\n0.537194 0.781693 0.500000 C\n0.244499 0.462806 0.500000 C\n0.218307 0.755501 0.500000 C\n0.903796 0.795661 0.500000 C\n0.891865 0.096204 0.500000 C\n0.204339 0.108135 0.500000 C\n0.868643 0.354421 0.500000 C\n0.485778 0.131357 0.500000 C\n0.645579 0.514222 0.500000 C\n0.421300 0.573337 0.000000 O\n0.152038 0.578700 0.000000 O\n0.426663 0.847962 0.000000 O\n0.264231 0.421819 0.884238 O\n0.157587 0.735769 0.884238 O\n0.578181 0.842413 0.884238 O\n0.264231 0.421819 0.115762 O\n0.157587 0.735769 0.115762 O\n0.578181 0.842413 0.115762 O\n0.807576 0.303063 0.000000 O\n0.495487 0.192424 0.000000 O\n0.696937 0.504513 0.000000 O\n0.582893 0.100513 0.884733 O\n0.517620 0.417107 0.884733 O\n0.899487 0.482380 0.884733 O\n0.582893 0.100513 0.115267 O\n0.517620 0.417107 0.115267 O\n0.899487 0.482380 0.115267 O\n0.825521 0.922107 0.000000 O\n0.096586 0.174479 0.000000 O\n0.077893 0.903414 0.000000 O\n0.830375 0.078980 0.884863 O\n0.248605 0.169625 0.884863 O\n0.921020 0.751395 0.884863 O\n0.830375 0.078980 0.115137 O\n0.248605 0.169625 0.115137 O\n0.921020 0.751395 0.115137 O\n0.364816 0.529150 0.500000 O\n0.164334 0.635184 0.500000 O\n0.470850 0.835666 0.500000 O\n0.570265 0.755258 0.614602 O\n0.184993 0.429735 0.614602 O\n0.244742 0.815007 0.614602 O\n0.570265 0.755258 0.385398 O\n0.184993 0.429735 0.385398 O\n0.244742 0.815007 0.385398 O\n0.827099 0.975094 0.500000 O\n0.147995 0.172901 0.500000 O\n0.024906 0.852005 0.500000 O\n0.845223 0.768453 0.615100 O\n0.923230 0.154777 0.615100 O\n0.231547 0.076770 0.615100 O\n0.845223 0.768453 0.384900 O\n0.923230 0.154777 0.384900 O\n0.231547 0.076770 0.384900 O\n0.765122 0.248342 0.500000 O\n0.483220 0.234878 0.500000 O\n0.751658 0.516780 0.500000 O\n0.918591 0.404452 0.614932 O\n0.485860 0.081409 0.614932 O\n0.595548 0.514140 0.614932 O\n0.918591 0.404452 0.385068 O\n0.485860 0.081409 0.385068 O\n0.595548 0.514140 0.385068 O\n0.666667 0.333333 0.741600 O\n0.666667 0.333333 0.258400 O\n0.333333 0.666667 0.753472 O\n0.333333 0.666667 0.246528 O\n0.000000 0.000000 0.756373 O\n0.000000 0.000000 0.243627 O\n0.343977 0.336054 0.691511 O\n0.992077 0.656023 0.691511 O\n0.663946 0.007923 0.691511 O\n0.343977 0.336054 0.308489 O\n0.992077 0.656023 0.308489 O\n0.663946 0.007923 0.308489 O\n0.668261 0.675773 0.806373 O\n0.007512 0.331739 0.806373 O\n0.324227 0.992488 0.806373 O\n0.668261 0.675773 0.193627 O\n0.007512 0.331739 0.193627 O\n0.324227 0.992488 0.193627 O\n",
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{
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{
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