Basic Information
Formula
YbTm2Zn11
MP-ID
mp-3295357
Elements
3
Sites
14
Density
8.5437
g/cm³
Volume
239.14
ų
Cell a
4.3077
Å
Cell b
8.0099
Å
Cell c
8.0099
Å
α Angle
66.10
°
β Angle
74.30
°
γ Angle
74.30
°
Space Group
Immm
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oI
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 |
|---|---|---|---|
| 13.94 | 6.3543 | 3.8 | (0,1,1) |
| 20.33 | 4.3683 | 9.2 | (0,1,-1) |
| 23.02 | 3.8636 | 17.9 | (1,0,1) |
| 23.02 | 3.8636 | 17.9 | (1,1,0) |
| 23.34 | 3.8117 | 13.8 | (0,2,1) |
| 24.73 | 3.5998 | 2.6 | (0,2,0) |
| 28.09 | 3.1771 | 1.1 | (0,2,2) |
| 29.54 | 3.0237 | 23.9 | (1,2,2) |
| 29.61 | 3.0171 | 23.9 | (1,-1,-1) |
| 29.96 | 2.9827 | 1.5 | (1,0,2) |
| 29.96 | 2.9827 | 1.5 | (1,2,0) |
| 29.98 | 2.9805 | 1.5 | (1,-1,1) |
| 29.98 | 2.9805 | 1.5 | (1,1,-1) |
| 31.52 | 2.8386 | 3.5 | (0,2,-1) |
| 34.92 | 2.5694 | 65.2 | (0,3,1) |
| 36.13 | 2.4862 | 100.0 | (1,3,1) |
| 36.18 | 2.4825 | 49.6 | (1,-2,0) |
| 36.18 | 2.4825 | 49.6 | (1,0,-2) |
| 36.58 | 2.4563 | 18.3 | (1,2,3) |
| 36.58 | 2.4563 | 18.3 | (1,3,2) |
| 36.66 | 2.4516 | 36.4 | (1,-1,-2) |
| 36.83 | 2.4405 | 6.5 | (0,3,2) |
| 37.27 | 2.4126 | 42.3 | (1,-1,2) |
| 37.27 | 2.4126 | 42.3 | (1,2,-1) |
Energy Properties
Formation Energy/atom
-0.35416
eV/atom
Energy/atom
-14.98188
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.9819
eV/atom
Volume/atom
17.08
ų
c/a Ratio
1.8595
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0007
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.786
Element Family
N/A
Solute Fraction
0.214
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.762
Family
Zn-based Alloy
Matrix Element
Zn · 0.786
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295357
Reference Citation
The crystal structure and related material properties of YbTm2Zn11 were obtained from the Materials Project database (MP-ID: mp-3295357, 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_YbTm2Zn11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30766462
_cell_length_b 8.00988554
_cell_length_c 8.00988610
_cell_angle_alpha 66.09957608
_cell_angle_beta 74.29780690
_cell_angle_gamma 74.29783177
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbTm2Zn11
_chemical_formula_sum 'Yb1 Tm2 Zn11'
_cell_volume 239.14042397
_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 0.00000000 1.0
Tm Tm1 1 0.70487322 0.29511892 0.29511988 1.0
Tm Tm2 1 0.29512678 0.70488108 0.70488012 1.0
Zn Zn3 1 0.00000000 0.50000000 0.50000000 1.0
Zn Zn4 1 0.50000770 0.68309475 0.31690295 1.0
Zn Zn5 1 0.49999230 0.31690525 0.68309705 1.0
Zn Zn6 1 0.66230551 0.69551670 0.97920214 1.0
Zn Zn7 1 0.33769449 0.30448330 0.02079786 1.0
Zn Zn8 1 0.66230451 0.97920320 0.69551863 1.0
Zn Zn9 1 0.33769549 0.02079680 0.30448137 1.0
Zn Zn10 1 0.86514455 0.41815167 0.85284420 1.0
Zn Zn11 1 0.13485545 0.58184833 0.14715580 1.0
Zn Zn12 1 0.86514735 0.85284256 0.41814997 1.0
Zn Zn13 1 0.13485265 0.14715744 0.58185003 1.0
