Ac2Tm(CN3)2
Alexandria ALEXAlex-ID: agm004578747 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_0_spg12
AcN2 Ac2(CN2)3 TmN AcN
2022-06-23 08:00:13.888462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004578747).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004578747
data_agm004578747
_cell_length_a 5.40471
_cell_length_b 5.54213
_cell_length_c 6.62154
_cell_angle_alpha 117.46834
_cell_angle_beta 90.00000
_cell_angle_gamma 119.18313
_cell_volume 147.02315
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ac1 Ac 0.71528 0.43057 0.19881 1.00000
Ac2 Ac 0.28472 0.56943 0.80119 1.00000
Tm1 Tm 0.50000 0.00000 0.50000 1.00000
C1 C 0.93875 0.87750 0.74439 1.00000
C2 C 0.06125 0.12250 0.25561 1.00000
N1 N 0.77744 0.55488 0.66856 1.00000
N2 N 0.19846 0.95925 0.22397 1.00000
N3 N 0.23921 0.04075 0.77603 1.00000
N4 N 0.80154 0.04075 0.77603 1.00000
N5 N 0.76079 0.95925 0.22397 1.00000
N6 N 0.22256 0.44512 0.33144 1.00000
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