Er5Sb3
传统材料 TRAMP-ID: mp-641565 · Space group: Pnma (#62)
Basic Information
Formula
Er5Sb3
MP-ID
mp-641565
Elements
2
Sites
32
Density
9.2058
g/cm³
Volume
866.96
ų
Cell a
8.0577
Å
Cell b
9.1585
Å
Cell c
11.7480
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 |
|---|---|---|---|
| 15.08 | 5.8740 | 1.9 | (0,0,2) |
| 18.69 | 4.7466 | 2.5 | (1,0,2) |
| 19.38 | 4.5792 | 5.4 | (0,2,0) |
| 25.29 | 3.5221 | 2.6 | (1,0,3) |
| 26.83 | 3.3225 | 1.8 | (2,0,2) |
| 27.06 | 3.2956 | 18.4 | (1,2,2) |
| 28.58 | 3.1233 | 2.6 | (2,1,2) |
| 30.44 | 2.9370 | 14.0 | (0,0,4) |
| 30.52 | 2.9293 | 96.2 | (2,2,1) |
| 31.33 | 2.8548 | 29.8 | (1,3,0) |
| 31.87 | 2.8081 | 41.2 | (2,0,3) |
| 32.00 | 2.7967 | 3.3 | (0,1,4) |
| 32.06 | 2.7918 | 62.1 | (1,2,3) |
| 32.27 | 2.7741 | 4.3 | (1,3,1) |
| 32.45 | 2.7594 | 68.6 | (1,0,4) |
| 33.07 | 2.7088 | 10.1 | (0,3,2) |
| 33.32 | 2.6892 | 100.0 | (2,2,2) |
| 33.38 | 2.6847 | 1.4 | (2,1,3) |
| 33.93 | 2.6421 | 6.7 | (1,1,4) |
| 34.25 | 2.6183 | 45.4 | (3,0,1) |
| 34.81 | 2.5773 | 4.9 | (3,1,0) |
| 34.94 | 2.5676 | 17.2 | (1,3,2) |
| 36.34 | 2.4722 | 44.8 | (0,2,4) |
| 36.80 | 2.4427 | 9.4 | (3,0,2) |
Energy Properties
Formation Energy/atom
-1.01494
eV/atom
Energy/atom
-31.85820
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-31.8582
eV/atom
Volume/atom
27.09
ų
c/a Ratio
1.4580
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0093
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Er · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.679
Family
Binary Alloy
Matrix Element
Er · 0.625
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-641565
Reference Citation
The crystal structure and related material properties of Er5Sb3 were obtained from the Materials Project database (MP-ID: mp-641565, 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_Er5Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05767067
_cell_length_b 9.15847049
_cell_length_c 11.74801951
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er5Sb3
_chemical_formula_sum 'Er20 Sb12'
_cell_volume 866.95613171
_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
Er Er0 1 0.67134520 0.75000000 0.72678710 1.0
Er Er1 1 0.30880025 0.55944273 0.56683205 1.0
Er Er2 1 0.84442131 0.25000000 0.20879665 1.0
Er Er3 1 0.19119975 0.94055727 0.06683205 1.0
Er Er4 1 0.30880025 0.94055727 0.56683205 1.0
Er Er5 1 0.69119975 0.44055727 0.43316795 1.0
Er Er6 1 0.80880025 0.44055727 0.93316795 1.0
Er Er7 1 0.97533314 0.75000000 0.50500218 1.0
Er Er8 1 0.15557869 0.75000000 0.79120335 1.0
Er Er9 1 0.32865480 0.25000000 0.27321290 1.0
Er Er10 1 0.47533314 0.25000000 0.99499782 1.0
Er Er11 1 0.80880025 0.05944273 0.93316795 1.0
Er Er12 1 0.19119975 0.55944273 0.06683205 1.0
Er Er13 1 0.02466686 0.25000000 0.49499782 1.0
Er Er14 1 0.34442131 0.75000000 0.29120335 1.0
Er Er15 1 0.69119975 0.05944273 0.43316795 1.0
Er Er16 1 0.52466686 0.75000000 0.00500218 1.0
Er Er17 1 0.82865480 0.75000000 0.22678710 1.0
Er Er18 1 0.65557869 0.25000000 0.70879665 1.0
Er Er19 1 0.17134520 0.25000000 0.77321290 1.0
Sb Sb20 1 0.09530048 0.25000000 0.02408075 1.0
Sb Sb21 1 0.93621557 0.49074352 0.67400786 1.0
Sb Sb22 1 0.43621557 0.99074352 0.82599214 1.0
Sb Sb23 1 0.06378443 0.99074352 0.32599214 1.0
Sb Sb24 1 0.43621557 0.50925648 0.82599214 1.0
Sb Sb25 1 0.59530048 0.75000000 0.47591925 1.0
Sb Sb26 1 0.40469952 0.25000000 0.52408075 1.0
Sb Sb27 1 0.56378443 0.49074352 0.17400786 1.0
Sb Sb28 1 0.06378443 0.50925648 0.32599214 1.0
Sb Sb29 1 0.90469952 0.75000000 0.97591925 1.0
Sb Sb30 1 0.56378443 0.00925648 0.17400786 1.0
Sb Sb31 1 0.93621557 0.00925648 0.67400786 1.0
