Basic Information
Formula
Tm5Sb2Os
MP-ID
mp-3293608
Elements
3
Sites
32
Density
10.2411
g/cm³
Volume
829.15
ų
Cell a
7.7320
Å
Cell b
8.8072
Å
Cell c
12.1760
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 13.57 | 6.5272 | 13.9 | (1,0,1) |
| 14.55 | 6.0880 | 14.4 | (0,0,2) |
| 15.25 | 5.8105 | 6.7 | (1,1,0) |
| 20.16 | 4.4036 | 5.3 | (0,2,0) |
| 21.14 | 4.2033 | 3.1 | (1,1,2) |
| 23.01 | 3.8660 | 3.6 | (2,0,0) |
| 24.38 | 3.6505 | 1.9 | (1,2,1) |
| 24.78 | 3.5937 | 4.2 | (1,0,3) |
| 26.22 | 3.3992 | 1.0 | (2,1,1) |
| 27.33 | 3.2636 | 2.8 | (2,0,2) |
| 27.53 | 3.2397 | 35.5 | (1,2,2) |
| 29.18 | 3.0602 | 2.9 | (2,1,2) |
| 29.34 | 3.0440 | 9.5 | (0,0,4) |
| 30.78 | 2.9053 | 4.3 | (2,2,0) |
| 31.59 | 2.8324 | 70.1 | (1,0,4) |
| 31.66 | 2.8259 | 100.0 | (2,2,1) |
| 31.97 | 2.7993 | 32.5 | (2,0,3) |
| 32.15 | 2.7842 | 55.1 | (1,2,3) |
| 32.63 | 2.7446 | 19.4 | (1,3,0) |
| 33.23 | 2.6964 | 13.0 | (1,1,4) |
| 33.47 | 2.6774 | 2.3 | (1,3,1) |
| 33.90 | 2.6444 | 5.6 | (0,3,2) |
| 34.20 | 2.6220 | 79.5 | (2,2,2) |
| 35.61 | 2.5215 | 27.9 | (3,0,1) |
Energy Properties
Formation Energy/atom
-0.87488
eV/atom
Energy/atom
-35.87527
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-35.8753
eV/atom
Volume/atom
25.91
ų
c/a Ratio
1.5748
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0384
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000050
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Tm · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.600
Family
Tm-rich Multi-Component
Matrix Element
Tm · 0.625
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293608
Reference Citation
The crystal structure and related material properties of Tm5Sb2Os were obtained from the Materials Project database (MP-ID: mp-3293608, 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_Tm5Sb2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73197289
_cell_length_b 8.80724375
_cell_length_c 12.17601146
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm5Sb2Os
_chemical_formula_sum 'Tm20 Sb8 Os4'
_cell_volume 829.15435666
_cell_formula_units_Z 4
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
Tm Tm0 1 0.32630323 0.53664971 0.43116563 1.0
Tm Tm1 1 0.86746890 0.25000000 0.80891619 1.0
Tm Tm2 1 0.17369677 0.53664971 0.93116563 1.0
Tm Tm3 1 0.32630323 0.96335029 0.43116563 1.0
Tm Tm4 1 0.13253110 0.75000000 0.19108381 1.0
Tm Tm5 1 0.83636427 0.75000000 0.79048419 1.0
Tm Tm6 1 0.36746890 0.75000000 0.69108381 1.0
Tm Tm7 1 0.94503969 0.75000000 0.50332558 1.0
Tm Tm8 1 0.44503969 0.25000000 0.99667442 1.0
Tm Tm9 1 0.67369677 0.46335029 0.56883437 1.0
Tm Tm10 1 0.82630323 0.03664971 0.06883437 1.0
Tm Tm11 1 0.66363573 0.75000000 0.29048419 1.0
Tm Tm12 1 0.55496031 0.75000000 0.00332558 1.0
Tm Tm13 1 0.05496031 0.25000000 0.49667442 1.0
Tm Tm14 1 0.67369677 0.03664971 0.56883437 1.0
Tm Tm15 1 0.17369677 0.96335029 0.93116563 1.0
Tm Tm16 1 0.63253110 0.25000000 0.30891619 1.0
Tm Tm17 1 0.33636427 0.25000000 0.70951581 1.0
Tm Tm18 1 0.82630323 0.46335029 0.06883437 1.0
Tm Tm19 1 0.16363573 0.25000000 0.20951581 1.0
Sb Sb20 1 0.93938941 0.49458764 0.32850304 1.0
Sb Sb21 1 0.43938941 0.50541236 0.17149696 1.0
Sb Sb22 1 0.43938941 0.99458764 0.17149696 1.0
Sb Sb23 1 0.56061059 0.49458764 0.82850304 1.0
Sb Sb24 1 0.06061059 0.50541236 0.67149696 1.0
Sb Sb25 1 0.56061059 0.00541236 0.82850304 1.0
Sb Sb26 1 0.93938941 0.00541236 0.32850304 1.0
Sb Sb27 1 0.06061059 0.99458764 0.67149696 1.0
Os Os28 1 0.93113194 0.75000000 0.00790104 1.0
Os Os29 1 0.56886806 0.75000000 0.50790104 1.0
Os Os30 1 0.06886806 0.25000000 0.99209896 1.0
Os Os31 1 0.43113194 0.25000000 0.49209896 1.0
