Configuration Set

ZIF-4_crystal_1500K_-2_volume_deform__CS_ko6gcmjnnslt_0




Name ZIF-4_crystal_1500K_-2_volume_deform
Extended ID ZIF-4_crystal_1500K_-2_volume_deform__CS_ko6gcmjnnslt_0
Description Crystal configurations from ZIF-4_Amorphous_Zeolitic_Imidazolate_Frameworks_2023 calculated at 1500K at -2% volume deformation
Elements C (35.29%)
H (35.29%)
N (23.53%)
Zn (5.88%)
Number of Configurations 160,374
Number of Atoms 43,621,728
Configurations