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{
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{
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"updated_at": "2022-09-04T14:36:12.927271Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n",
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"structure_string": "Na2 Ni2 P2 O8\n1.0\n2.655590 4.182965 -0.000000\n-2.655590 4.182965 -0.000000\n0.000000 -0.000000 6.702768\nNa Ni P O\n2 2 2 8\ndirect\n0.312594 0.312594 0.750000 Na\n0.687407 0.687407 0.250000 Na\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.337514 0.337514 0.250000 P\n0.662487 0.662487 0.750000 P\n0.209647 0.689332 0.250000 O\n0.310669 0.790354 0.750000 O\n0.232765 0.232765 0.436521 O\n0.767236 0.767236 0.563480 O\n0.232765 0.232765 0.063479 O\n0.767236 0.767236 0.936521 O\n0.790354 0.310669 0.750000 O\n0.689332 0.209647 0.250000 O\n",
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{
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"created_at": "2022-09-04T14:36:53.302628Z",
"updated_at": "2022-09-04T14:36:53.302653Z",
"structure_string": "Na1 Ti1 O2\n1.0\n2.920512 0.022279 4.958193\n1.368735 2.580011 4.958193\n0.036721 0.022279 5.754279\nNa Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 0.500000 Ti\n0.763256 0.763259 0.763259 O\n0.236741 0.236742 0.236742 O\n",
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{
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"updated_at": "2022-09-04T14:38:01.883803Z",
"structure_string": "O2\n1.0\n-2.199177 -2.199177 -0.000000\n-2.199177 0.000000 -2.199177\n-0.000000 -2.199177 -2.199177\nO\n2\ndirect\n0.750001 0.750001 0.750001 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:55.183680Z",
"updated_at": "2022-09-04T14:38:55.183721Z",
"structure_string": "K2 Be4 B6 O14\n1.0\n6.562363 -0.001858 2.136503\n0.338606 6.553622 2.136503\n0.029427 0.027938 6.447967\nK Be B O\n2 4 6 14\ndirect\n0.178916 0.821084 0.750000 K\n0.821084 0.178915 0.250000 K\n0.057360 0.635530 0.341277 Be\n0.364471 0.942641 0.158723 Be\n0.942641 0.364470 0.658723 Be\n0.635530 0.057359 0.841277 Be\n0.733743 0.770528 0.182690 B\n0.229472 0.266258 0.317310 B\n0.266258 0.229472 0.817310 B\n0.770529 0.733742 0.682690 B\n0.548603 0.451397 0.750000 B\n0.451397 0.548603 0.250000 B\n0.077099 0.220104 0.807058 O\n0.779897 0.922901 0.692942 O\n0.650123 0.579368 0.234292 O\n0.420632 0.349877 0.265707 O\n0.349878 0.420631 0.765708 O\n0.579369 0.650123 0.734292 O\n0.299145 0.700855 0.250000 O\n0.055926 0.387255 0.380015 O\n0.387256 0.055926 0.880016 O\n0.944075 0.612744 0.619984 O\n0.700855 0.299145 0.750000 O\n0.220104 0.077099 0.307058 O\n0.612745 0.944074 0.119984 O\n0.922901 0.779896 0.192942 O\n",
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{
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"created_at": "2022-09-04T14:38:26.534336Z",
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"structure_string": "Na2 Mn4 O8\n1.0\n5.951856 -0.001168 0.000950\n-2.975589 4.203129 2.975921\n-0.001006 -0.000119 5.952607\nNa Mn O\n2 4 8\ndirect\n0.000027 0.000043 -0.000019 Na\n0.749977 0.499961 0.750017 Na\n0.374998 0.249999 0.375003 Mn\n0.875001 0.249996 0.375002 Mn\n0.375002 0.750001 0.374998 Mn\n0.375001 0.750002 0.875001 Mn\n0.144512 0.289026 0.145018 O\n0.605484 0.210971 0.184042 O\n0.565965 0.710969 0.144517 O\n0.144998 0.710966 0.144516 O\n0.605486 0.210970 0.604986 O\n0.144515 0.289026 0.565956 O\n0.605001 0.789037 0.605483 O\n0.184032 0.789030 0.605484 O\n",
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"volume_molar": 6.403834306961626,
"formula_full": "Fe5 O4 F8",
"formula_reduced": "Fe5(OF2)4",
"formula_anonymous": "A4B5C8",
"energy_above_hull": 1.7806796329411765,
"spacegroup": 65
}
]
}