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UZn(H4Pt)2

Alexandria ALEX

Alex-ID: agm007446764 · Space group: Cm (#8)

Basic Information

Formula
UZn(H4Pt)2
Alex-ID
agm007446764
Elements
4
Sites
12
Space group
Cm (#8)
Crystal system
monoclinic
Volume
118.18
ų
Cell a
3.6918
Å
Cell b
4.3977
Å
Cell c
8.2870
Å
α angle
77.70
°
β angle
77.49
°
γ angle
65.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
UZn(H4Pt)2
U
1.00 · 8.3%
Zn
1.00 · 8.3%
H
8.00 · 66.7%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1079
eV/atom
Formation energy
-0.1528
eV/atom
Corrected total energy
-52.4936
eV
Raw total energy
-52.4936
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0027
eV
DOS at Fermi level
6.6064
Total magnetisation
2.0628
μB

Additional Information

Prototype ID

ABC2D8_2739_spg8

Decomposition

U4H15 U(H3Pt)4 H10Pt ZnPt

Computed at

2025-05-28 06:07:56

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: agm007446764).

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 agm007446764
data_agm007446764
_cell_length_a     3.69178
_cell_length_b     4.39767
_cell_length_c     8.28698
_cell_angle_alpha  77.70137
_cell_angle_beta   77.48719
_cell_angle_gamma  65.29888
_cell_volume       118.18415
_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
  U1 U 0.00748 0.91788 0.02702 1.00000
  Zn1 Zn 0.10606 0.17144 0.57140 1.00000
  H1 H 0.32211 0.29276 0.02533 1.00000
  H2 H 0.50913 0.08842 0.84947 1.00000
  H3 H 0.87931 0.63446 0.55001 1.00000
  H4 H 0.73776 0.53637 0.94719 1.00000
  H5 H 0.02534 0.61337 0.30295 1.00000
  H6 H 0.45994 0.81522 0.22951 1.00000
  H7 H 0.73707 0.22018 0.27108 1.00000
  H8 H 0.24519 0.72402 0.73665 1.00000
  Pt1 Pt 0.72947 0.75562 0.73735 1.00000
  Pt2 Pt 0.24112 0.23025 0.25204 1.00000
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