CeZn11
传统材料 TRAMP-ID: mp-640370 · Space group: I4_1/amd (#141)
Basic Information
Formula
CeZn11
MP-ID
mp-640370
Elements
2
Sites
24
Density
7.6297
g/cm³
Volume
374.18
ų
Cell a
8.1609
Å
Cell b
8.1609
Å
Cell c
8.1609
Å
α Angle
99.99
°
β Angle
99.99
°
γ Angle
130.78
°
Space Group
I4_1/amd
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 23.03 | 3.8617 | 4.4 | (2,-1,0) |
| 23.99 | 3.7099 | 1.5 | (2,-2,0) |
| 28.70 | 3.1100 | 5.4 | (2,-1,-2) |
| 28.90 | 3.0897 | 11.1 | (1,1,-2) |
| 33.50 | 2.6753 | 39.3 | (3,-2,-1) |
| 34.18 | 2.6233 | 9.0 | (2,-2,2) |
| 37.74 | 2.3833 | 5.4 | (3,-2,-2) |
| 37.90 | 2.3742 | 100.0 | (2,0,-3) |
| 38.36 | 2.3463 | 73.0 | (3,-3,1) |
| 40.74 | 2.2146 | 33.5 | (2,1,-2) |
| 43.59 | 2.0766 | 15.7 | (3,-1,-3) |
| 44.40 | 2.0403 | 17.0 | (2,1,-3) |
| 45.22 | 2.0052 | 57.0 | (4,-3,-1) |
| 47.07 | 1.9308 | 32.3 | (4,-2,0) |
| 47.83 | 1.9015 | 2.3 | (3,0,-3) |
| 48.61 | 1.8731 | 12.8 | (4,-3,-2) |
| 51.09 | 1.7877 | 5.4 | (4,-1,-2) |
| 51.95 | 1.7603 | 2.9 | (4,-2,-3) |
| 52.31 | 1.7488 | 3.1 | (3,-3,3) |
| 53.96 | 1.6992 | 1.3 | (2,2,-2) |
| 54.20 | 1.6922 | 9.1 | (3,0,-4) |
| 54.91 | 1.6720 | 4.5 | (4,-3,-3) |
| 55.38 | 1.6591 | 1.1 | (4,-4,2) |
| 56.97 | 1.6165 | 2.7 | (3,1,-3) |
Energy Properties
Formation Energy/atom
-0.19783
eV/atom
Energy/atom
-1.84734
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.9674
eV/atom
Volume/atom
15.59
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
2.5228
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.006740
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.917
Element Family
N/A
Solute Fraction
0.083
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.848
Family
Zn-based Alloy
Matrix Element
Zn · 0.917
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-640370
Reference Citation
The crystal structure and related material properties of CeZn11 were obtained from the Materials Project database (MP-ID: mp-640370, database version v2026.04.13).
Literature Citation
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_CeZn11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16094366
_cell_length_b 8.16094366
_cell_length_c 8.16094366
_cell_angle_alpha 99.98606498
_cell_angle_beta 99.98606498
_cell_angle_gamma 130.78199504
_symmetry_Int_Tables_number 1
_chemical_formula_structural CeZn11
_chemical_formula_sum 'Ce2 Zn22'
_cell_volume 374.17724601
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ce Ce0 1 0.00000000 -0.00000000 0.00000000 1.0
Ce Ce1 1 0.25000000 0.75000000 0.50000000 1.0
Zn Zn2 1 0.75889335 0.17557714 0.82785298 1.0
Zn Zn3 1 0.62500000 0.87500000 0.25000000 1.0
Zn Zn4 1 0.06895963 0.24110665 0.41668379 1.0
Zn Zn5 1 0.34772416 0.17557714 0.41668379 1.0
Zn Zn6 1 0.06895963 0.65227584 0.82785298 1.0
Zn Zn7 1 0.90227584 0.57442286 0.08331621 1.0
Zn Zn8 1 0.34772416 0.93104037 0.17214702 1.0
Zn Zn9 1 0.75000000 0.25000000 0.50000000 1.0
Zn Zn10 1 0.90227584 0.81895963 0.32785298 1.0
Zn Zn11 1 0.50000000 0.50000000 0.00000000 1.0
Zn Zn12 1 0.42557714 0.09772416 0.91668379 1.0
Zn Zn13 1 0.62500000 0.37500000 0.25000000 1.0
Zn Zn14 1 0.49110665 0.57442286 0.67214702 1.0
Zn Zn15 1 0.18104037 0.09772416 0.67214702 1.0
Zn Zn16 1 0.75889335 0.93104037 0.58331621 1.0
Zn Zn17 1 0.82442286 0.65227584 0.58331621 1.0
Zn Zn18 1 0.42557714 0.50889335 0.32785298 1.0
Zn Zn19 1 0.49110665 0.81895963 0.91668379 1.0
Zn Zn20 1 0.18104037 0.50889335 0.08331621 1.0
Zn Zn21 1 0.82442286 0.24110665 0.17214702 1.0
Zn Zn22 1 0.12500000 0.37500000 0.75000000 1.0
Zn Zn23 1 0.62500000 0.37500000 0.75000000 1.0
