Yb20Mg2CdAg9
MP-ID: mp-3293543 · Space group: P422 (#89)
Basic Information
Formula
Yb20Mg2CdAg9
MP-ID
mp-3293543
Elements
4
Sites
32
Density
8.3428
g/cm³
Volume
914.11
ų
Cell a
8.0001
Å
Cell b
8.0001
Å
Cell c
14.2828
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P422
Point Group
422
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
No
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 |
|---|---|---|---|
| 11.06 | 8.0001 | 3.6 | (1,0,0) |
| 12.39 | 7.1414 | 11.1 | (0,0,2) |
| 16.64 | 5.3275 | 1.6 | (1,0,2) |
| 22.22 | 4.0000 | 1.5 | (2,0,0) |
| 24.94 | 3.5707 | 1.5 | (0,0,4) |
| 25.52 | 3.4899 | 5.3 | (2,0,2) |
| 25.67 | 3.4705 | 11.4 | (2,1,1) |
| 29.58 | 3.0195 | 13.1 | (1,1,4) |
| 31.27 | 2.8602 | 100.0 | (2,1,3) |
| 31.63 | 2.8285 | 10.1 | (2,2,0) |
| 33.65 | 2.6638 | 31.4 | (2,0,4) |
| 35.48 | 2.5299 | 46.5 | (3,1,0) |
| 35.52 | 2.5274 | 1.5 | (2,1,4) |
| 37.72 | 2.3846 | 3.8 | (3,1,2) |
| 37.79 | 2.3805 | 9.8 | (0,0,6) |
| 40.41 | 2.2323 | 12.9 | (2,1,5) |
| 41.17 | 2.1925 | 2.5 | (3,2,1) |
| 45.08 | 2.0111 | 2.3 | (3,2,3) |
| 45.34 | 2.0000 | 2.7 | (4,0,0) |
| 47.28 | 1.9226 | 7.5 | (4,1,1) |
| 48.26 | 1.8856 | 6.1 | (3,3,0) |
| 50.08 | 1.8213 | 1.3 | (2,2,6) |
| 50.81 | 1.7968 | 13.5 | (4,1,3) |
| 51.06 | 1.7889 | 6.3 | (4,2,0) |
Energy Properties
Formation Energy/atom
-0.11746
eV/atom
Energy/atom
-29.84353
eV/atom
Energy above Hull
0.1251
eV/atom
Uncorrected Energy
-29.8435
eV/atom
Volume/atom
28.57
ų
c/a Ratio
1.7853
Electronic Properties
Metallic
Non-metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293543
Reference Citation
The crystal structure and related material properties of Yb20Mg2CdAg9 were obtained from the Materials Project database (MP-ID: mp-3293543, 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
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_Yb20Mg2CdAg9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00007979
_cell_length_b 8.00007979
_cell_length_c 14.28276190
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Yb20Mg2CdAg9
_chemical_formula_sum 'Yb20 Mg2 Cd1 Ag9'
_cell_volume 914.11499488
_cell_formula_units_Z 1
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
Yb Yb0 1 0.00000000 0.00000000 0.75357746 1.0
Yb Yb1 1 0.50000000 0.50000000 0.25038258 1.0
Yb Yb2 1 0.00000000 0.00000000 0.24642254 1.0
Yb Yb3 1 0.50000000 0.50000000 0.74961742 1.0
Yb Yb4 1 0.17524590 0.65549181 0.10779121 1.0
Yb Yb5 1 0.66029248 0.17033410 0.61123243 1.0
Yb Yb6 1 0.82475410 0.34450819 0.10779121 1.0
Yb Yb7 1 0.33970752 0.82966590 0.61123243 1.0
Yb Yb8 1 0.34450819 0.17524590 0.10779121 1.0
Yb Yb9 1 0.82966590 0.66029248 0.61123243 1.0
Yb Yb10 1 0.65549181 0.82475410 0.10779121 1.0
Yb Yb11 1 0.17033410 0.33970752 0.61123243 1.0
Yb Yb12 1 0.34450819 0.82475410 0.89220879 1.0
Yb Yb13 1 0.82966590 0.33970752 0.38876757 1.0
Yb Yb14 1 0.65549181 0.17524590 0.89220879 1.0
Yb Yb15 1 0.17033410 0.66029248 0.38876757 1.0
Yb Yb16 1 0.17524590 0.34450819 0.89220879 1.0
Yb Yb17 1 0.66029248 0.82966590 0.38876757 1.0
Yb Yb18 1 0.82475410 0.65549181 0.89220879 1.0
Yb Yb19 1 0.33970752 0.17033410 0.38876757 1.0
Mg Mg20 1 0.00000000 0.00000000 0.50000000 1.0
Mg Mg21 1 0.00000000 0.00000000 0.00000000 1.0
Cd Cd22 1 0.50000000 0.50000000 0.50000000 1.0
Ag Ag23 1 0.62976845 0.12698271 0.24822267 1.0
Ag Ag24 1 0.12698271 0.62976845 0.75177733 1.0
Ag Ag25 1 0.87301729 0.37023155 0.75177733 1.0
Ag Ag26 1 0.37023155 0.87301729 0.24822267 1.0
Ag Ag27 1 0.37023155 0.12698271 0.75177733 1.0
Ag Ag28 1 0.87301729 0.62976845 0.24822267 1.0
Ag Ag29 1 0.12698271 0.37023155 0.24822267 1.0
Ag Ag30 1 0.62976845 0.87301729 0.75177733 1.0
Ag Ag31 1 0.50000000 0.50000000 0.00000000 1.0
