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Rb(Tm2Zn)4

Alexandria ALEX

Alex-ID: agm097362837 · Space group: Pm (#6)

Basic Information

Formula
Rb(Tm2Zn)4
Alex-ID
agm097362837
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
357.45
ų
Cell a
3.5667
Å
Cell b
10.5666
Å
Cell c
10.4300
Å
α angle
65.41
°
β angle
89.99
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(Tm2Zn)4
Rb
1.00 · 7.7%
Tm
8.00 · 61.5%
Zn
4.00 · 30.8%

Energy & Stability

Energy above hull
0.2075
eV/atom
Formation energy
-0.0134
eV/atom
Corrected total energy
-42.0269
eV
Raw total energy
-42.0269
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.3434
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1615_spg8

Decomposition

Tm2Zn Rb

Computed at

2025-06-19 22:31:31

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: agm097362837).

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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm097362837
data_agm097362837
_cell_length_a     3.56670
_cell_length_b     10.56661
_cell_length_c     10.42999
_cell_angle_alpha  65.41337
_cell_angle_beta   89.99252
_cell_angle_gamma  89.98530
_cell_volume       357.44511
_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
  Rb1 Rb 0.73331 0.10478 0.97789 1.00000
  Tm1 Tm 0.73058 0.12671 0.34253 1.00000
  Tm2 Tm 0.73087 0.54199 0.96060 1.00000
  Tm3 Tm 0.73036 0.78214 0.62213 1.00000
  Tm4 Tm 0.73009 0.25553 0.59228 1.00000
  Tm5 Tm 0.23045 0.81667 0.32094 1.00000
  Tm6 Tm 0.23023 0.44952 0.29007 1.00000
  Tm7 Tm 0.23054 0.47352 0.71497 1.00000
  Tm8 Tm 0.23060 0.83154 0.88827 1.00000
  Zn1 Zn 0.73051 0.71279 0.14446 1.00000
  Zn2 Zn 0.23150 0.30239 0.09802 1.00000
  Zn3 Zn 0.73049 0.56936 0.45729 1.00000
  Zn4 Zn 0.23046 0.03306 0.59055 1.00000
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