Tm4Cr4B3Ru12C
Alexandria ALEXAlex-ID: agm010979990 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D4E12_2_spg187
TmRu3C TmRu2 Cr7C3 CrB Ru
2024-05-28 09:42:02.716363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010979990).
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 agm010979990
data_agm010979990
_cell_length_a 5.41671
_cell_length_b 5.41671
_cell_length_c 13.83897
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 351.64595
_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
Tm1 Tm 0.33333 0.66667 0.74906 1.00000
Tm2 Tm 0.33333 0.66667 0.25094 1.00000
Tm3 Tm 0.33333 0.66667 0.50000 1.00000
Tm4 Tm 0.33333 0.66667 0.00000 1.00000
Cr1 Cr 0.66667 0.33333 0.75099 1.00000
Cr2 Cr 0.66667 0.33333 0.24901 1.00000
Cr3 Cr 0.00000 0.00000 0.25251 1.00000
Cr4 Cr 0.00000 0.00000 0.74749 1.00000
B1 B 0.66667 0.33333 0.00000 1.00000
B2 B 0.00000 0.00000 0.50000 1.00000
B3 B 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.83218 0.66436 0.60664 1.00000
Ru2 Ru 0.83340 0.66680 0.11045 1.00000
Ru3 Ru 0.33564 0.16782 0.60664 1.00000
Ru4 Ru 0.33320 0.16660 0.11045 1.00000
Ru5 Ru 0.83218 0.16782 0.60664 1.00000
Ru6 Ru 0.83340 0.16660 0.11045 1.00000
Ru7 Ru 0.83218 0.66436 0.39336 1.00000
Ru8 Ru 0.83340 0.66680 0.88955 1.00000
Ru9 Ru 0.33564 0.16782 0.39336 1.00000
Ru10 Ru 0.33320 0.16660 0.88955 1.00000
Ru11 Ru 0.83218 0.16782 0.39336 1.00000
Ru12 Ru 0.83340 0.16660 0.88955 1.00000
C1 C 0.66667 0.33333 0.50000 1.00000
