HoOs2

Traditional Materials TRA

MP-ID: mp-1101953 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

HoOs2

MP-ID

mp-1101953

Elements

Sites

Density

17.0050

g/cm³

Volume

213.03

Å³

Cell a

5.2597

Cell b

5.2597

Cell c

8.8917

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
19.49	4.5551	11.6	(1,0,-1,0)
19.49	4.5551	5.8	(1,-1,0,0)
19.97	4.4458	13.2	(0,0,0,2)
21.92	4.0541	3.2	(1,0,-1,1)
21.92	4.0541	3.2	(1,0,-1,-1)
21.92	4.0541	1.6	(1,-1,0,1)
21.92	4.0541	1.6	(1,-1,0,-1)
34.09	2.6299	16.5	(1,1,-2,0)
34.09	2.6299	33.0	(2,-1,-1,0)
36.16	2.4843	25.4	(1,0,-1,3)
36.16	2.4843	50.7	(0,1,-1,3)
36.16	2.4843	50.7	(1,0,-1,-3)
36.16	2.4843	25.4	(1,-1,0,-3)
39.57	2.2775	13.4	(2,0,-2,0)
39.57	2.2775	6.7	(2,-2,0,0)
39.83	2.2635	35.4	(1,1,-2,2)
39.83	2.2635	35.4	(1,1,-2,-2)
39.83	2.2635	70.8	(2,-1,-1,2)
39.83	2.2635	70.8	(2,-1,-1,-2)
40.58	2.2229	49.7	(0,0,0,4)
40.90	2.2063	33.3	(2,0,-2,1)
40.90	2.2063	100.0	(2,0,-2,-1)
40.90	2.2063	66.7	(2,-2,0,1)
44.71	2.0270	18.5	(2,0,-2,2)

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Energy Properties

Formation Energy/atom

-0.41047

eV/atom

Energy/atom

-46.69441

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-46.6944

eV/atom

Volume/atom

17.75

Å³

c/a Ratio

1.6905

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.623

Family

Binary Alloy

Matrix Element

Os · 0.667

Related Tasks

Related computation task IDs (5)

aaadmxja aaadsrcy aaaekwhc aaaetxby aaafcdkc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1101953

Reference Citation

The crystal structure and related material properties of HoOs2 were obtained from the Materials Project database (MP-ID: mp-1101953, 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…

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Raw CIF Data

# generated using pymatgen
data_HoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25971974
_cell_length_b   5.25971974
_cell_length_c   8.89168260
_cell_angle_alpha   90.00000241
_cell_angle_beta   89.99997991
_cell_angle_gamma   119.99991575
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoOs2
_chemical_formula_sum   'Ho4 Os8'
_cell_volume   213.02970198
_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  0.66666639  0.33333361  0.56573963  1.0
  Ho  Ho1  1  0.33333225  0.66666675  0.43426992  1.0
  Ho  Ho2  1  0.33333225  0.66666675  0.06573108  1.0
  Ho  Ho3  1  0.66666639  0.33333361  0.93426037  1.0
  Os  Os4  1  0.00000042  -0.00000042  0.50003805  1.0
  Os  Os5  1  0.00000042  -0.00000042  -0.00003805  1.0
  Os  Os6  1  0.17133040  0.34266807  0.74999900  1.0
  Os  Os7  1  0.17131592  0.82868408  0.75000000  1.0
  Os  Os8  1  0.65733193  0.82866960  0.75000000  1.0
  Os  Os9  1  0.82867519  0.65734136  0.25000000  1.0
  Os  Os10  1  0.82868880  0.17131120  0.25000000  1.0
  Os  Os11  1  0.34265864  0.17132481  0.25000000  1.0

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