YbTm3
Traditional Materials TRAMP-ID: mp-980196 · Space group: I4/mmm (#139)
Basic Information
Formula
YbTm3
MP-ID
mp-980196
Elements
2
Sites
4
Density
9.4190
g/cm³
Volume
119.85
ų
Cell a
6.0478
Å
Cell b
6.0478
Å
Cell c
6.0478
Å
α Angle
131.97
°
β Angle
131.97
°
γ Angle
70.28
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
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 15)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 31.43 | 2.8466 | 100.0 | (1,1,0) |
| 36.33 | 2.4728 | 17.0 | (2,2,-2) |
| 36.50 | 2.4615 | 33.6 | (1,-1,1) |
| 52.45 | 1.7445 | 24.0 | (3,1,-1) |
| 52.58 | 1.7405 | 11.9 | (0,0,2) |
| 62.32 | 1.4899 | 14.3 | (3,3,-2) |
| 62.55 | 1.4849 | 28.3 | (2,0,1) |
| 65.59 | 1.4233 | 12.3 | (2,2,0) |
| 77.15 | 1.2364 | 1.9 | (4,4,-4) |
| 77.57 | 1.2307 | 3.8 | (2,-2,2) |
| 85.86 | 1.1318 | 12.1 | (4,2,-1) |
| 86.07 | 1.1297 | 6.0 | (1,1,2) |
| 88.50 | 1.1048 | 5.7 | (5,3,-3) |
| 88.80 | 1.1018 | 5.7 | (4,0,0) |
| 88.91 | 1.1008 | 5.6 | (1,-1,3) |
Energy Properties
Formation Energy/atom
0.05312
eV/atom
Energy/atom
-35.42001
eV/atom
Energy above Hull
0.0569
eV/atom
Uncorrected Energy
-35.4200
eV/atom
Volume/atom
29.96
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.603
Family
Binary Alloy
Matrix Element
Tm · 0.750
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-980196
Reference Citation
The crystal structure and related material properties of YbTm3 were obtained from the Materials Project database (MP-ID: mp-980196, 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_YbTm3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04776499
_cell_length_b 6.04776499
_cell_length_c 6.04776499
_cell_angle_alpha 131.96654793
_cell_angle_beta 131.96654793
_cell_angle_gamma 70.28186592
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbTm3
_chemical_formula_sum 'Yb1 Tm3'
_cell_volume 119.85472461
_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 0.75000000 0.25000000 0.50000000 1.0
Tm Tm2 1 0.25000000 0.75000000 0.50000000 1.0
Tm Tm3 1 0.50000000 0.50000000 0.00000000 1.0
