Basic Information
Formula
Er10OsRh3
MP-ID
mp-3295792
Elements
3
Sites
14
Density
10.3014
g/cm³
Volume
350.04
ų
Cell a
6.3917
Å
Cell b
7.1016
Å
Cell c
8.4289
Å
α Angle
96.44
°
β Angle
112.81
°
γ Angle
90.08
°
Space Group
P1
Point Group
1
Crystal System
Triclinic
Bravais Lattice
aP
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 |
|---|---|---|---|
| 11.47 | 7.7116 | 10.9 | (0,0,1) |
| 12.56 | 7.0484 | 4.3 | (0,1,0) |
| 14.95 | 5.9243 | 2.9 | (1,0,-1) |
| 15.05 | 5.8848 | 10.0 | (1,0,0) |
| 15.96 | 5.5515 | 3.4 | (0,1,-1) |
| 18.06 | 4.9123 | 2.0 | (0,1,1) |
| 19.14 | 4.6380 | 1.9 | (1,1,-1) |
| 19.17 | 4.6304 | 1.9 | (1,-1,0) |
| 20.00 | 4.4388 | 26.7 | (1,-1,-1) |
| 20.13 | 4.4121 | 26.5 | (1,1,0) |
| 22.29 | 3.9876 | 1.2 | (1,0,1) |
| 23.07 | 3.8558 | 2.6 | (0,0,2) |
| 24.42 | 3.6457 | 1.1 | (1,1,-2) |
| 25.27 | 3.5242 | 3.1 | (0,2,0) |
| 26.52 | 3.3615 | 4.9 | (1,-1,-2) |
| 26.73 | 3.3356 | 7.2 | (1,1,1) |
| 27.92 | 3.1957 | 5.9 | (2,0,-1) |
| 28.88 | 3.0910 | 47.3 | (1,-2,0) |
| 28.90 | 3.0898 | 39.8 | (1,2,-1) |
| 29.12 | 3.0668 | 33.9 | (0,2,1) |
| 30.08 | 2.9713 | 18.3 | (1,-2,-1) |
| 30.17 | 2.9622 | 7.5 | (2,0,-2) |
| 30.19 | 2.9602 | 7.2 | (1,2,0) |
| 30.38 | 2.9424 | 5.8 | (2,0,0) |
Energy Properties
Formation Energy/atom
-0.59545
eV/atom
Energy/atom
-33.78461
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-33.7846
eV/atom
Volume/atom
25.00
ų
c/a Ratio
1.3187
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0402
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000110
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.669
Family
Er-rich Multi-Component
Matrix Element
Er · 0.714
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3295792
Reference Citation
The crystal structure and related material properties of Er10OsRh3 were obtained from the Materials Project database (MP-ID: mp-3295792, 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_Er10OsRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39168421
_cell_length_b 7.10162458
_cell_length_c 8.42889546
_cell_angle_alpha 96.43510179
_cell_angle_beta 112.80752250
_cell_angle_gamma 90.08446445
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er10OsRh3
_chemical_formula_sum 'Er10 Os1 Rh3'
_cell_volume 350.04057915
_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
Er Er0 1 0.78692103 0.58235300 0.81016708 1.0
Er Er1 1 0.97037160 0.91534060 0.17770305 1.0
Er Er2 1 0.20964346 0.41552826 0.18868801 1.0
Er Er3 1 0.02402643 0.08481020 0.81261104 1.0
Er Er4 1 0.21893578 0.68763992 0.56370433 1.0
Er Er5 1 0.65051603 0.81656738 0.44186245 1.0
Er Er6 1 0.78655071 0.31543841 0.43706855 1.0
Er Er7 1 0.34998345 0.18185592 0.56349334 1.0
Er Er8 1 0.42632001 0.75016559 0.99915911 1.0
Er Er9 1 0.57359983 0.25012525 0.99970205 1.0
Os Os10 1 0.61274585 0.92799450 0.78737339 1.0
Rh Rh11 1 0.82621118 0.57082371 0.22360639 1.0
Rh Rh12 1 0.39143191 0.07190349 0.21751244 1.0
Rh Rh13 1 0.17274177 0.42945177 0.77734979 1.0
