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{
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{
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"structure_string": "Cr1 S2 N1 O8\n1.0\n2.466389 -4.271911 0.000000\n2.466389 4.271911 0.000000\n0.000000 0.000000 8.558404\nCr S N O\n1 2 1 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.206496 S\n0.666667 0.333333 0.793504 S\n0.000000 0.000000 0.500000 N\n0.084360 0.357372 0.145286 O\n0.642628 0.726988 0.145286 O\n0.357372 0.084360 0.854714 O\n0.273012 0.915640 0.145286 O\n0.726988 0.642628 0.854714 O\n0.915640 0.273012 0.854714 O\n0.333333 0.666667 0.376271 O\n0.666667 0.333333 0.623729 O\n",
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"structure_string": "Li4 Ni4 P12 O36\n1.0\n8.418667 0.000000 0.000000\n0.000000 8.568092 0.000000\n0.000000 0.000000 8.683397\nLi Ni P O\n4 4 12 36\ndirect\n0.151753 0.867169 0.384121 Li\n0.348247 0.132831 0.884121 Li\n0.651753 0.632831 0.615879 Li\n0.848247 0.367169 0.115879 Li\n0.130639 0.145475 0.156729 Ni\n0.369361 0.854525 0.656729 Ni\n0.630639 0.354525 0.843271 Ni\n0.869361 0.645475 0.343271 Ni\n0.969679 0.180065 0.817904 P\n0.816100 0.020531 0.309970 P\n0.796736 0.689783 0.941373 P\n0.703264 0.310217 0.441373 P\n0.030321 0.680065 0.682096 P\n0.183900 0.520531 0.190030 P\n0.203264 0.189783 0.558627 P\n0.296736 0.810217 0.058627 P\n0.316100 0.479469 0.690030 P\n0.469679 0.319935 0.182096 P\n0.530321 0.819935 0.317904 P\n0.683900 0.979469 0.809970 P\n0.959052 0.726805 0.846882 O\n0.911081 0.883904 0.367402 O\n0.896424 0.627744 0.579501 O\n0.883820 0.115734 0.179202 O\n0.040948 0.226805 0.653118 O\n0.088919 0.383904 0.132598 O\n0.103576 0.127744 0.920499 O\n0.116180 0.615734 0.320798 O\n0.134086 0.809707 0.621459 O\n0.140163 0.535599 0.736505 O\n0.159112 0.136670 0.400229 O\n0.188187 0.910204 0.155159 O\n0.223440 0.635991 0.047285 O\n0.276560 0.364009 0.547285 O\n0.311813 0.089796 0.655159 O\n0.340888 0.863330 0.900229 O\n0.359837 0.464401 0.236505 O\n0.365914 0.190293 0.121459 O\n0.383820 0.384266 0.820798 O\n0.396424 0.872256 0.420499 O\n0.411081 0.616096 0.632598 O\n0.459052 0.773195 0.153118 O\n0.540948 0.273195 0.346882 O\n0.588919 0.116096 0.867402 O\n0.603576 0.372256 0.079501 O\n0.616180 0.884266 0.679202 O\n0.634086 0.690293 0.378541 O\n0.640163 0.964401 0.263495 O\n0.659112 0.363330 0.599771 O\n0.688187 0.589796 0.844841 O\n0.723440 0.864009 0.952715 O\n0.776560 0.135991 0.452715 O\n0.811813 0.410204 0.344841 O\n0.840888 0.636670 0.099771 O\n0.859837 0.035599 0.763495 O\n0.865914 0.309707 0.878541 O\n",
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{
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"density_atomic": 0.06912963504083282,
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"formula_full": "Sm6 Nb2 O14",
"formula_reduced": "Sm3NbO7",
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"energy": -198.83193528,
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{
"id": "mp-1223035",
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"structure_string": "La1 Ho3 Mn8 O20\n1.0\n5.793558 0.000000 0.000000\n0.000000 7.434435 0.000000\n0.000000 0.056690 8.619370\nLa Ho Mn O\n1 3 8 20\ndirect\n0.000000 0.362251 0.670390 La\n0.000000 0.642944 0.327095 Ho\n0.000000 0.860425 0.830372 Ho\n0.000000 0.138922 0.170001 Ho\n0.500000 0.085451 0.851446 Mn\n0.500000 0.910330 0.151229 Mn\n0.500000 0.595671 0.649345 Mn\n0.500000 0.413005 0.347043 Mn\n0.744802 0.501171 0.002305 Mn\n0.254400 0.996514 0.498460 Mn\n0.255198 0.501171 0.002305 Mn\n0.745600 0.996514 0.498460 Mn\n0.000000 0.338054 0.951379 O\n0.000000 0.663245 0.057936 O\n0.000000 0.834338 0.556421 O\n0.000000 0.156478 0.437746 O\n0.756638 0.091709 0.708402 O\n0.759593 0.893352 0.292166 O\n0.246079 0.613825 0.795919 O\n0.239899 0.393259 0.207264 O\n0.240407 0.893352 0.292166 O\n0.243362 0.091709 0.708402 O\n0.760101 0.393259 0.207264 O\n0.753921 0.613825 0.795919 O\n0.500000 0.348753 0.932919 O\n0.500000 0.651493 0.069083 O\n0.500000 0.846861 0.562568 O\n0.500000 0.151801 0.434221 O\n0.725037 0.509646 0.493796 O\n0.268621 0.000513 0.002091 O\n0.274963 0.509646 0.493796 O\n0.731379 0.000513 0.002091 O\n",
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"density": 6.23146581808419,
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"volume": 371.2520425339397,
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"formula_full": "La1 Ho3 Mn8 O20",
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}
]
}