Y4TaCr7B24
Alexandria ALEXAlex-ID: agm021304392 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7D24_4_spg6
CrB4 YCrB4 Ta2B3 CrB
2024-11-14 02:26:35.692980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021304392).
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 agm021304392
data_agm021304392
_cell_length_a 3.34353
_cell_length_b 8.84903
_cell_length_c 11.20275
_cell_angle_alpha 89.92341
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 331.45532
_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
Y1 Y 0.00000 0.18016 0.58525 1.00000
Y2 Y 0.00000 0.81904 0.41638 1.00000
Y3 Y 0.00000 0.32253 0.08476 1.00000
Y4 Y 0.00000 0.67798 0.91305 1.00000
Ta1 Ta 0.00000 0.94545 0.12862 1.00000
Cr1 Cr 0.00000 0.14401 0.31573 1.00000
Cr2 Cr 0.00000 0.85593 0.68497 1.00000
Cr3 Cr 0.00000 0.35504 0.81494 1.00000
Cr4 Cr 0.00000 0.64444 0.18408 1.00000
Cr5 Cr 0.00000 0.05473 0.87232 1.00000
Cr6 Cr 0.00000 0.55511 0.63027 1.00000
Cr7 Cr 0.00000 0.44562 0.37294 1.00000
B1 B 0.50000 0.13099 0.18138 1.00000
B2 B 0.50000 0.87313 0.81865 1.00000
B3 B 0.50000 0.37394 0.67965 1.00000
B4 B 0.50000 0.62469 0.32073 1.00000
B5 B 0.50000 0.98208 0.28650 1.00000
B6 B 0.50000 0.01876 0.71549 1.00000
B7 B 0.50000 0.51829 0.78391 1.00000
B8 B 0.50000 0.48180 0.21572 1.00000
B9 B 0.50000 0.30045 0.26532 1.00000
B10 B 0.50000 0.70095 0.73541 1.00000
B11 B 0.50000 0.20136 0.76368 1.00000
B12 B 0.50000 0.79595 0.23742 1.00000
B13 B 0.50000 0.25983 0.41693 1.00000
B14 B 0.50000 0.73989 0.58380 1.00000
B15 B 0.50000 0.24179 0.91549 1.00000
B16 B 0.50000 0.75483 0.08194 1.00000
B17 B 0.50000 0.59349 0.47621 1.00000
B18 B 0.50000 0.40574 0.52469 1.00000
B19 B 0.50000 0.90521 0.97152 1.00000
B20 B 0.50000 0.09784 0.02194 1.00000
B21 B 0.50000 0.05655 0.43302 1.00000
B22 B 0.50000 0.94424 0.56853 1.00000
B23 B 0.50000 0.44394 0.93111 1.00000
B24 B 0.50000 0.55421 0.06765 1.00000
