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"structure_string": "K1 Mn1 H24 C14 N8\n1.0\n-4.327790 4.327790 6.055276\n4.327790 -4.327790 6.055276\n4.327790 4.327790 -6.055276\nK Mn H C N\n1 1 24 14 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mn\n0.461635 0.184195 0.385878 H\n0.798317 0.075757 0.614122 H\n0.075757 0.461635 0.277440 H\n0.538365 0.815805 0.614122 H\n0.201683 0.924244 0.385878 H\n0.815805 0.201683 0.277440 H\n0.924244 0.538365 0.722560 H\n0.627654 0.293173 0.673194 H\n0.619979 -0.045540 0.326806 H\n0.293173 0.619979 0.665519 H\n-0.045540 0.627654 0.334481 H\n0.184195 0.798317 0.722560 H\n0.380021 0.045540 0.673194 H\n0.706827 0.380021 0.334481 H\n0.045540 0.372346 0.665519 H\n0.596351 0.433777 0.567341 H\n0.866436 0.029009 0.432659 H\n0.433777 0.866436 0.837427 H\n0.029009 0.596351 0.162573 H\n0.403650 0.566223 0.432659 H\n0.133564 -0.029009 0.567341 H\n0.372347 0.706827 0.326806 H\n0.566223 0.133564 0.162573 H\n-0.029009 0.403649 0.837427 H\n0.403310 0.706269 0.465979 C\n0.062669 0.596690 0.302959 C\n0.596690 0.293731 0.534021 C\n0.759710 0.062669 0.465979 C\n0.240290 0.937331 0.534021 C\n0.293731 0.759710 0.697041 C\n0.706269 0.240290 0.302959 C\n0.134579 0.185033 0.319612 C\n0.865422 0.814967 0.680388 C\n0.814967 0.134579 0.949546 C\n0.185033 0.865422 0.050454 C\n0.163788 0.163788 -0.000000 C\n0.836213 0.836213 -0.000000 C\n0.937331 0.403310 0.697041 C\n0.750000 0.250000 0.500000 N\n0.739270 0.739270 -0.000000 N\n0.260730 0.260730 0.000000 N\n0.292013 0.781802 0.073814 N\n0.707988 0.218198 0.926186 N\n0.218198 0.292012 0.510210 N\n0.781802 0.707988 0.489790 N\n0.250000 0.750000 0.500000 N\n",
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{
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"structure_string": "Ca8 Ti8 O24\n1.0\n0.000000 7.692849 0.002511\n7.666889 0.000000 0.000000\n0.000000 -0.142989 -7.691546\nCa Ti O\n8 8 24\ndirect\n0.723131 0.250000 0.767503 Ca\n0.276869 0.750000 0.232497 Ca\n0.232499 0.250000 0.776867 Ca\n0.767501 0.750000 0.223133 Ca\n0.732498 0.250000 0.276871 Ca\n0.267502 0.750000 0.723130 Ca\n0.223131 0.250000 0.267502 Ca\n0.776869 0.750000 0.732499 Ca\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.541643 0.958251 0.250423 O\n0.250419 0.041749 0.041641 O\n0.749581 0.541749 0.958360 O\n0.549832 0.250000 0.029742 O\n0.450168 0.750000 0.970258 O\n0.970259 0.250000 0.950170 O\n0.029741 0.750000 0.049830 O\n0.541643 0.541750 0.250423 O\n0.458357 0.041750 0.749578 O\n0.458357 0.458251 0.749578 O\n0.750423 0.458251 0.541641 O\n0.950169 0.750000 0.470260 O\n0.249577 0.541750 0.458359 O\n0.750423 0.041749 0.541641 O\n0.958357 0.458251 0.249577 O\n0.041642 0.958252 0.750424 O\n0.041642 0.541749 0.750424 O\n0.958357 0.041749 0.249577 O\n0.250419 0.458251 0.041641 O\n0.049831 0.250000 0.529741 O\n0.529743 0.750000 0.549831 O\n0.470257 0.250000 0.450169 O\n0.249577 0.958251 0.458359 O\n0.749581 0.958251 0.958360 O\n",
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{
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"structure_string": "Mn6 P24\n1.0\n4.819766 0.000000 -0.011639\n0.000000 13.711430 0.000000\n-1.471053 0.000000 6.867963\nMn P\n6 24\ndirect\n0.000000 0.500000 0.500000 Mn\n0.130140 0.335666 0.857490 Mn\n0.000000 0.000000 0.000000 Mn\n0.130140 0.164334 0.357490 Mn\n0.869861 0.835666 0.642509 Mn\n0.869861 0.664334 0.142509 Mn\n0.489977 0.278539 0.446831 P\n0.641985 0.890990 0.868951 P\n0.737453 0.113846 0.791649 P\n0.510024 0.778539 0.053169 P\n0.788349 0.448740 0.748114 P\n0.641985 0.609010 0.368951 P\n0.630423 0.556605 0.936745 P\n0.737453 0.386154 0.291649 P\n0.788349 0.051260 0.248115 P\n0.630423 0.943395 0.436745 P\n0.369578 0.443395 0.063255 P\n0.262548 0.886154 0.208351 P\n0.358016 0.109010 0.131049 P\n0.921125 0.224892 0.616197 P\n0.489977 0.221461 0.946831 P\n0.369578 0.056605 0.563255 P\n0.358017 0.390990 0.631048 P\n0.211652 0.551260 0.251885 P\n0.262549 0.613846 0.708350 P\n0.211652 0.948740 0.751885 P\n0.078876 0.775108 0.383803 P\n0.078877 0.724892 0.883803 P\n0.510024 0.721461 0.553168 P\n0.921125 0.275108 0.116197 P\n",
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{
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"structure_string": "Ca4 Sn4 S12\n1.0\n6.648226 -0.000000 0.000000\n-0.000000 7.093764 0.000000\n0.000000 0.000000 9.618045\nCa Sn S\n4 4 12\ndirect\n0.463769 0.403988 0.750000 Ca\n0.036231 0.903988 0.750000 Ca\n0.536231 0.596011 0.250000 Ca\n0.963770 0.096011 0.250000 Ca\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.681450 0.312817 0.433949 S\n0.818551 0.812817 0.066050 S\n0.681450 0.312817 0.066050 S\n0.818551 0.812817 0.433949 S\n0.318551 0.687183 0.566050 S\n0.859998 0.547447 0.750000 S\n0.140002 0.452553 0.250000 S\n0.359998 0.952553 0.250000 S\n0.181449 0.187183 0.566050 S\n0.640002 0.047447 0.750000 S\n0.181449 0.187183 0.933949 S\n0.318551 0.687183 0.933949 S\n",
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{
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{
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],
"chemical_system": "Al-Li-Na-P",
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{
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"created_at": "2022-09-04T14:35:48.074464Z",
"updated_at": "2022-09-04T14:35:48.074488Z",
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}