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HoRu2

传统材料 TRA

MP-ID: mp-1102089 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
HoRu2
MP-ID
mp-1102089
Elements
2
Sites
12
Density
11.3999
g/cm³
Volume
213.87
ų
Cell a
5.2645
Å
Cell b
5.2645
Å
Cell c
8.9068
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.96
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
28.00 3.1865 3.1 (1,0,-1,2)
28.01 3.1854 1.6 (1,-1,0,2)
34.04 2.6340 22.7 (1,1,-2,0)
34.06 2.6323 45.3 (2,-1,-1,0)
36.10 2.4882 96.2 (1,0,-1,3)
36.10 2.4878 48.0 (1,-1,0,3)
39.51 2.2806 13.0 (2,0,-2,0)
39.54 2.2791 6.5 (2,-2,0,0)
39.76 2.2671 50.1 (1,1,-2,2)
39.78 2.2660 100.0 (2,-1,-1,2)
40.51 2.2267 19.0 (0,0,0,4)
40.85 2.2093 75.0 (2,0,-2,1)
40.87 2.2080 37.5 (2,-2,0,1)
44.64 2.0299 8.6 (2,0,-2,2)
44.66 2.0289 4.3 (2,-2,0,2)
45.32 2.0010 9.8 (1,0,-1,4)
45.33 2.0007 4.9 (1,-1,0,4)
55.37 1.6593 4.9 (1,0,-1,5)
55.37 1.6592 2.4 (1,-1,0,5)
57.30 1.6080 1.2 (2,1,-3,2)
57.32 1.6073 1.2 (3,-1,-2,2)
57.34 1.6069 1.2 (3,-2,-1,2)
60.94 1.5204 8.5 (3,0,-3,0)
60.98 1.5194 4.2 (3,-3,0,0)
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Energy Properties

Formation Energy/atom
-0.33954
eV/atom
Energy/atom
-8.05503
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-8.0550
eV/atom
Volume/atom
17.82
ų
c/a Ratio
1.6919

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0040
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ru · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.623
Family
Binary Alloy
Matrix Element
Ru · 0.667

Related Tasks

Related computation task IDs (2)
aaaezfif aaaezpkm

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1102089
Reference Citation

The crystal structure and related material properties of HoRu2 were obtained from the Materials Project database (MP-ID: mp-1102089, 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
Raw CIF Data 
# generated using pymatgen
data_HoRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26451663
_cell_length_b   5.26451663
_cell_length_c   8.90679200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95682279
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoRu2
_chemical_formula_sum   'Ho4 Ru8'
_cell_volume   213.87387342
_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
  Ho  Ho0  1  0.66671600  0.33328400  0.56650100  1.0
  Ho  Ho1  1  0.33328400  0.66671600  0.43349900  1.0
  Ho  Ho2  1  0.33328400  0.66671600  0.06650100  1.0
  Ho  Ho3  1  0.66671600  0.33328400  0.93349900  1.0
  Ru  Ru4  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru5  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru6  1  0.17136800  0.34252100  0.75000000  1.0
  Ru  Ru7  1  0.17120200  0.82879800  0.75000000  1.0
  Ru  Ru8  1  0.65747900  0.82863200  0.75000000  1.0
  Ru  Ru9  1  0.82863200  0.65747900  0.25000000  1.0
  Ru  Ru10  1  0.82879800  0.17120200  0.25000000  1.0
  Ru  Ru11  1  0.34252100  0.17136800  0.25000000  1.0
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