Basic Information
Formula
Er2Ga10Os3
MP-ID
mp-647247
Elements
3
Sites
30
Density
10.8026
g/cm³
Volume
492.64
ų
Cell a
8.8065
Å
Cell b
8.8065
Å
Cell c
6.3522
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/mbm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
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 |
|---|---|---|---|
| 14.22 | 6.2272 | 2.3 | (1,1,0) |
| 19.97 | 4.4468 | 22.4 | (1,1,1) |
| 20.17 | 4.4033 | 7.4 | (2,0,0) |
| 22.58 | 3.9384 | 54.5 | (2,1,0) |
| 24.60 | 3.6188 | 11.7 | (2,0,1) |
| 28.10 | 3.1761 | 4.0 | (0,0,2) |
| 28.67 | 3.1136 | 8.5 | (2,2,0) |
| 32.01 | 2.7958 | 12.1 | (2,2,1) |
| 32.14 | 2.7849 | 4.7 | (3,1,0) |
| 34.83 | 2.5759 | 20.2 | (2,0,2) |
| 35.19 | 2.5505 | 16.2 | (3,1,1) |
| 36.34 | 2.4723 | 100.0 | (2,1,2) |
| 36.80 | 2.4425 | 2.6 | (3,2,0) |
| 39.53 | 2.2798 | 1.5 | (3,2,1) |
| 40.57 | 2.2234 | 42.8 | (2,2,2) |
| 40.99 | 2.2016 | 6.3 | (4,0,0) |
| 42.32 | 2.1359 | 89.9 | (4,1,0) |
| 42.70 | 2.1174 | 9.3 | (0,0,3) |
| 43.21 | 2.0939 | 93.7 | (3,1,2) |
| 43.50 | 2.0802 | 2.1 | (4,0,1) |
| 43.60 | 2.0757 | 25.3 | (3,3,0) |
| 44.77 | 2.0245 | 2.6 | (4,1,1) |
| 45.23 | 2.0047 | 3.5 | (1,1,3) |
| 46.00 | 1.9731 | 7.1 | (3,3,1) |
Energy Properties
Formation Energy/atom
-0.41665
eV/atom
Energy/atom
-5.28989
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-23.2508
eV/atom
Volume/atom
16.42
ų
c/a Ratio
0.7213
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
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ga · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.596
Family
Ga-rich Multi-Component
Matrix Element
Ga · 0.667
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-647247
Reference Citation
The crystal structure and related material properties of Er2Ga10Os3 were obtained from the Materials Project database (MP-ID: mp-647247, 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_Er2Ga10Os3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80652877
_cell_length_b 8.80652877
_cell_length_c 6.35215335
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Ga10Os3
_chemical_formula_sum 'Er4 Ga20 Os6'
_cell_volume 492.64092895
_cell_formula_units_Z 2
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 0.68273888 0.18273888 0.00000000 1.0
Er Er1 1 0.31726112 0.81726112 0.00000000 1.0
Er Er2 1 0.81726112 0.68273888 0.00000000 1.0
Er Er3 1 0.18273888 0.31726112 0.00000000 1.0
Ga Ga4 1 0.93895764 0.20694747 0.29320589 1.0
Ga Ga5 1 0.70694747 0.43895764 0.29320589 1.0
Ga Ga6 1 0.50000000 -0.00000000 0.28402053 1.0
Ga Ga7 1 0.56104236 0.70694747 0.70679411 1.0
Ga Ga8 1 0.29305253 0.56104236 0.70679411 1.0
Ga Ga9 1 0.79305253 0.93895764 0.29320589 1.0
Ga Ga10 1 0.93895764 0.20694747 0.70679411 1.0
Ga Ga11 1 0.29305253 0.56104236 0.29320589 1.0
Ga Ga12 1 0.06104236 0.79305253 0.29320589 1.0
Ga Ga13 1 0.70694747 0.43895764 0.70679411 1.0
Ga Ga14 1 0.43895764 0.29305253 0.70679411 1.0
Ga Ga15 1 0.06104236 0.79305253 0.70679411 1.0
Ga Ga16 1 0.20694747 0.06104236 0.70679411 1.0
Ga Ga17 1 0.79305253 0.93895764 0.70679411 1.0
Ga Ga18 1 0.20694747 0.06104236 0.29320589 1.0
Ga Ga19 1 -0.00000000 0.50000000 0.71597947 1.0
Ga Ga20 1 -0.00000000 0.50000000 0.28402053 1.0
Ga Ga21 1 0.56104236 0.70694747 0.29320589 1.0
Ga Ga22 1 0.43895764 0.29305253 0.29320589 1.0
Ga Ga23 1 0.50000000 -0.00000000 0.71597947 1.0
Os Os24 1 0.67869462 0.17869462 0.50000000 1.0
Os Os25 1 0.82130538 0.67869462 0.50000000 1.0
Os Os26 1 0.17869462 0.32130538 0.50000000 1.0
Os Os27 1 -0.00000000 -0.00000000 0.00000000 1.0
Os Os28 1 0.32130538 0.82130538 0.50000000 1.0
Os Os29 1 0.50000000 0.50000000 0.00000000 1.0
