Tb10Pd21
Alexandria ALEXAlex-ID: agm007755684 · Space group: C2/m (#12)
Basic Information
Formula
Tb10Pd21
Alex-ID
agm007755684
Elements
2
Sites
62
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
1,189.87
ų
Cell a
12.7684
Å
Cell b
12.7684
Å
Cell c
16.4809
Å
α angle
88.83
°
β angle
88.83
°
γ angle
26.29
°
Composition
Element Composition (atomic fraction)
Composition Info
Formula
Tb10Pd21
Tb
20.00 · 32.3%
Pd
42.00 · 67.7%
Energy & Stability
Energy above hull
0.0000
eV/atom
Formation energy
-0.9038
eV/atom
Corrected total energy
-366.7826
eV
Raw total energy
-366.7826
eV
Electronic Structure
Indirect band gap
0.0000
eV
Direct band gap
0.0090
eV
DOS at Fermi level
18.7100
Total magnetisation
0.0000
μB
Additional Information
Prototype ID
A10B21_0_spg12
Decomposition
Tb10Pd21
Computed at
2024-06-24 11:24:59.891518
Citation
Alexandria website
https://alexandria.icams.rub.de/
Attribution
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007755684).
Reference
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
BibTeX
@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
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Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm007755684
data_agm007755684
_cell_length_a 12.76844
_cell_length_b 12.76844
_cell_length_c 16.48093
_cell_angle_alpha 88.82923
_cell_angle_beta 88.82923
_cell_angle_gamma 26.29115
_cell_volume 1189.86906
_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
Tb1 Tb 0.53226 0.53226 0.72138 1.00000
Tb2 Tb 0.31303 0.31303 0.80377 1.00000
Tb3 Tb 0.46774 0.46774 0.27862 1.00000
Tb4 Tb 0.42846 0.42846 0.98206 1.00000
Tb5 Tb 0.72361 0.72361 0.92209 1.00000
Tb6 Tb 0.23679 0.23679 0.35166 1.00000
Tb7 Tb 0.27639 0.27639 0.07791 1.00000
Tb8 Tb 0.14646 0.14646 0.64303 1.00000
Tb9 Tb 0.64822 0.64822 0.48175 1.00000
Tb10 Tb 0.88261 0.88261 0.13361 1.00000
Tb11 Tb 0.04205 0.04205 0.40705 1.00000
Tb12 Tb 0.35178 0.35178 0.51825 1.00000
Tb13 Tb 0.92627 0.92627 0.81265 1.00000
Tb14 Tb 0.57154 0.57154 0.01794 1.00000
Tb15 Tb 0.07373 0.07373 0.18735 1.00000
Tb16 Tb 0.95795 0.95795 0.59295 1.00000
Tb17 Tb 0.11739 0.11739 0.86639 1.00000
Tb18 Tb 0.76321 0.76321 0.64834 1.00000
Tb19 Tb 0.68697 0.68697 0.19623 1.00000
Tb20 Tb 0.85354 0.85354 0.35697 1.00000
Pd1 Pd 0.59705 0.07141 0.95261 1.00000
Pd2 Pd 0.15050 0.15050 0.47428 1.00000
Pd3 Pd 0.38473 0.38473 0.15963 1.00000
Pd4 Pd 0.03825 0.03825 0.72615 1.00000
Pd5 Pd 0.80339 0.31101 0.56256 1.00000
Pd6 Pd 0.64038 0.64038 0.66327 1.00000
Pd7 Pd 0.61527 0.61527 0.84037 1.00000
Pd8 Pd 0.73607 0.73607 0.35446 1.00000
Pd9 Pd 0.96175 0.96175 0.27385 1.00000
Pd10 Pd 0.87652 0.37870 0.32307 1.00000
Pd11 Pd 0.26393 0.26393 0.64554 1.00000
Pd12 Pd 0.06339 0.06339 0.01753 1.00000
Pd13 Pd 0.81252 0.81252 0.80338 1.00000
Pd14 Pd 0.84950 0.84950 0.52572 1.00000
Pd15 Pd 0.77188 0.77188 0.07800 1.00000
Pd16 Pd 0.76215 0.26796 0.88527 1.00000
Pd17 Pd 0.07141 0.59705 0.95261 1.00000
Pd18 Pd 0.95716 0.44951 0.77351 1.00000
Pd19 Pd 0.35962 0.35962 0.33673 1.00000
Pd20 Pd 0.26796 0.76215 0.88527 1.00000
Pd21 Pd 0.56910 0.56910 0.20569 1.00000
Pd22 Pd 0.54401 0.54401 0.40959 1.00000
Pd23 Pd 0.18748 0.18748 0.19662 1.00000
Pd24 Pd 0.37870 0.87652 0.32307 1.00000
Pd25 Pd 0.73204 0.23785 0.11473 1.00000
Pd26 Pd 0.50000 0.00000 0.50000 1.00000
Pd27 Pd 0.68899 0.19661 0.43744 1.00000
Pd28 Pd 0.12348 0.62130 0.67693 1.00000
Pd29 Pd 0.44951 0.95716 0.77351 1.00000
Pd30 Pd 0.92859 0.40295 0.04739 1.00000
Pd31 Pd 0.22812 0.22812 0.92200 1.00000
Pd32 Pd 0.93661 0.93661 0.98247 1.00000
Pd33 Pd 0.43090 0.43090 0.79431 1.00000
Pd34 Pd 0.62130 0.12348 0.67693 1.00000
Pd35 Pd 0.45599 0.45599 0.59041 1.00000
Pd36 Pd 0.31101 0.80339 0.56256 1.00000
Pd37 Pd 0.40295 0.92859 0.04739 1.00000
Pd38 Pd 0.23785 0.73204 0.11473 1.00000
Pd39 Pd 0.00000 0.50000 0.50000 1.00000
Pd40 Pd 0.55049 0.04284 0.22649 1.00000
Pd41 Pd 0.04284 0.55049 0.22649 1.00000
Pd42 Pd 0.19661 0.68899 0.43744 1.00000
