Nd2U(MnC2)2
Alexandria ALEXAlex-ID: agm004560552 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_134_spg12
Nd12(MnC3)5 UMn3C Nd(MnC)2 U2Mn2C3
2022-06-19 11:22:30.861070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004560552).
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 agm004560552
data_agm004560552
_cell_length_a 3.42810
_cell_length_b 6.77050
_cell_length_c 6.05972
_cell_angle_alpha 107.85375
_cell_angle_beta 90.00000
_cell_angle_gamma 104.66487
_cell_volume 129.05053
_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
Nd1 Nd 0.86392 0.72783 0.45455 1.00000
Nd2 Nd 0.13608 0.27217 0.54545 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.31536 0.63071 0.99822 1.00000
Mn2 Mn 0.68464 0.36929 0.00178 1.00000
C1 C 0.78251 0.56502 0.81661 1.00000
C2 C 0.21749 0.43498 0.18339 1.00000
C3 C 0.46022 0.92044 0.22082 1.00000
C4 C 0.53978 0.07956 0.77918 1.00000
Get direct link