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Ho5Os2

传统材料 TRA

MP-ID: mp-3295771 · Space group: C2/c (#15)

Materials Project API

Basic Information

Formula
Ho5Os2
MP-ID
mp-3295771
Elements
2
Sites
14
Density
11.3027
g/cm³
Volume
354.10
ų
Cell a
6.3167
Å
Cell b
7.3100
Å
Cell c
8.3554
Å
α Angle
96.97
°
β Angle
112.21
°
γ Angle
90.00
°
Space Group
C2/c
Point Group
2/m
Crystal System
Monoclinic
Bravais Lattice
mC
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)
2θd (Å)Ihkl
11.54 7.6687 8.3 (0,0,1)
15.17 5.8407 7.3 (1,0,-1)
19.03 4.6628 2.6 (1,1,-1)
20.00 4.4405 88.4 (1,1,0)
23.20 3.8343 12.3 (0,0,2)
24.42 3.6446 13.8 (1,1,-2)
25.78 3.4558 1.8 (0,2,-1)
26.66 3.3437 1.5 (1,-1,-2)
28.33 3.1503 42.6 (1,2,-1)
28.59 3.1218 8.0 (0,2,1)
29.66 3.0124 15.4 (1,2,0)
30.61 2.9204 6.0 (2,0,-2)
30.88 2.8953 81.7 (2,1,-1)
31.67 2.8250 47.3 (0,2,-2)
31.68 2.8247 59.7 (1,2,-2)
32.45 2.7593 100.0 (1,0,-3)
32.48 2.7568 53.5 (2,1,-2)
33.36 2.6862 36.5 (1,1,-3)
33.66 2.6630 66.0 (2,-1,-2)
35.11 2.5562 27.1 (0,0,3)
35.18 2.5512 63.6 (1,2,1)
36.17 2.4832 83.5 (1,-1,-3)
36.28 2.4764 57.1 (0,2,2)
36.87 2.4378 59.0 (2,0,-3)
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Energy Properties

Formation Energy/atom
-0.35379
eV/atom
Energy/atom
-38.97911
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-38.9791
eV/atom
Volume/atom
25.29
ų
c/a Ratio
1.3228

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0061
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
Ho · 0.714
Element Family
N/A
Solute Fraction
0.286
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.722
Family
Binary Alloy
Matrix Element
Ho · 0.714

Related Tasks

Related computation task IDs (1)
aaahfnkl

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3295771
Reference Citation

The crystal structure and related material properties of Ho5Os2 were obtained from the Materials Project database (MP-ID: mp-3295771, 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_Ho5Os2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31669239
_cell_length_b   7.30996920
_cell_length_c   8.35537744
_cell_angle_alpha   96.97272113
_cell_angle_beta   112.20995383
_cell_angle_gamma   89.99999943
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho5Os2
_chemical_formula_sum   'Ho10 Os4'
_cell_volume   354.09904165
_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
  Ho  Ho0  1  0.97699805  0.91499973  0.18270889  1.0
  Ho  Ho1  1  0.79428915  0.58500027  0.81729111  1.0
  Ho  Ho2  1  0.02300195  0.08500027  0.81729111  1.0
  Ho  Ho3  1  0.20571085  0.41499973  0.18270889  1.0
  Ho  Ho4  1  0.64060067  0.81868206  0.43410585  1.0
  Ho  Ho5  1  0.20649482  0.68131794  0.56589415  1.0
  Ho  Ho6  1  0.35939933  0.18131794  0.56589415  1.0
  Ho  Ho7  1  0.79350518  0.31868206  0.43410585  1.0
  Ho  Ho8  1  0.42185379  0.75000000  0.00000000  1.0
  Ho  Ho9  1  0.57814621  0.25000000  1.00000000  1.0
  Os  Os10  1  0.82500505  0.57876929  0.22041181  1.0
  Os  Os11  1  0.60459325  0.92123071  0.77958819  1.0
  Os  Os12  1  0.17499495  0.42123071  0.77958819  1.0
  Os  Os13  1  0.39540675  0.07876929  0.22041181  1.0
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