Ho2Co17

传统材料 TRA

MP-ID: mp-1023 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

Ho2Co17

MP-ID

mp-1023

Elements

Sites

Density

9.2175

g/cm³

Volume

479.82

Å³

Cell a

8.2797

Cell b

8.2797

Cell c

8.0820

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
16.53	5.3637	1.6	(1,0,-1,1)
21.46	4.1399	6.3	(2,-1,-1,0)
22.00	4.0410	3.7	(0,0,0,2)
24.83	3.5852	1.6	(2,0,-2,0)
25.30	3.5204	5.5	(1,0,-1,2)
27.21	3.2772	13.0	(2,0,-2,1)
30.92	2.8917	63.6	(2,-1,-1,2)
33.41	2.6819	8.3	(2,0,-2,2)
34.92	2.5696	5.9	(2,1,-3,1)
34.92	2.5696	11.8	(3,-1,-2,1)
35.60	2.5219	8.9	(1,0,-1,3)
37.63	2.3902	61.5	(3,0,-3,0)
40.06	2.2508	11.0	(3,-1,-2,2)
41.95	2.1537	40.4	(2,0,-2,3)
41.95	2.1537	20.2	(2,-2,0,3)
43.73	2.0699	94.7	(4,-2,-2,0)
44.02	2.0572	100.0	(3,0,-3,2)
44.02	2.0572	50.0	(3,-3,0,2)
44.86	2.0205	47.1	(0,0,0,4)
46.71	1.9448	2.2	(1,0,-1,4)
47.59	1.9106	23.3	(3,-1,-2,3)
49.47	1.8423	26.1	(4,-2,-2,2)
50.25	1.8158	1.4	(2,-1,-1,4)
51.95	1.7602	6.0	(2,0,-2,4)

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Energy Properties

Formation Energy/atom

-0.07851

eV/atom

Energy/atom

-6.94500

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-6.9450

eV/atom

Volume/atom

12.63

Å³

c/a Ratio

0.9761

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

50.4352

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.105110

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.895

Element Family

N/A

Solute Fraction

0.105

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.775

Family

Co-based Alloy

Matrix Element

Co · 0.895

Related Tasks

Related computation task IDs (3)

aaacbruu aaadvrkg aaaefnfr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023

Reference Citation

The crystal structure and related material properties of Ho2Co17 were obtained from the Materials Project database (MP-ID: mp-1023, 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_Ho2Co17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.27971120
_cell_length_b   8.27971120
_cell_length_c   8.08197800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999358
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho2Co17
_chemical_formula_sum   'Ho4 Co34'
_cell_volume   479.82039139
_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  0.00000000  0.00000000  0.25000000  1.0
  Ho  Ho1  1  0.00000000  0.00000000  0.75000000  1.0
  Ho  Ho2  1  0.33333300  0.66666700  0.75000000  1.0
  Ho  Ho3  1  0.66666700  0.33333300  0.25000000  1.0
  Co  Co4  1  0.33333300  0.66666700  0.10645000  1.0
  Co  Co5  1  0.66666700  0.33333300  0.60645000  1.0
  Co  Co6  1  0.66666700  0.33333300  0.89355000  1.0
  Co  Co7  1  0.33333300  0.66666700  0.39355000  1.0
  Co  Co8  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co9  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co10  1  0.00000000  0.50000000  0.50000000  1.0
  Co  Co11  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co12  1  0.50000000  0.50000000  0.00000000  1.0
  Co  Co13  1  0.50000000  0.00000000  0.50000000  1.0
  Co  Co14  1  0.32833400  0.95392800  0.25000000  1.0
  Co  Co15  1  0.37440700  0.32833400  0.75000000  1.0
  Co  Co16  1  0.95392800  0.62559300  0.75000000  1.0
  Co  Co17  1  0.04607200  0.37440700  0.25000000  1.0
  Co  Co18  1  0.62559300  0.67166600  0.25000000  1.0
  Co  Co19  1  0.37440700  0.04607200  0.75000000  1.0
  Co  Co20  1  0.67166600  0.62559300  0.75000000  1.0
  Co  Co21  1  0.67166600  0.04607200  0.75000000  1.0
  Co  Co22  1  0.95392800  0.32833400  0.75000000  1.0
  Co  Co23  1  0.04607200  0.67166600  0.25000000  1.0
  Co  Co24  1  0.62559300  0.95392800  0.25000000  1.0
  Co  Co25  1  0.32833400  0.37440700  0.25000000  1.0
  Co  Co26  1  0.16656700  0.33313400  0.97803900  1.0
  Co  Co27  1  0.83343300  0.16656700  0.47803900  1.0
  Co  Co28  1  0.33313400  0.16656700  0.47803900  1.0
  Co  Co29  1  0.66686600  0.83343300  0.97803900  1.0
  Co  Co30  1  0.16656700  0.83343300  0.97803900  1.0
  Co  Co31  1  0.83343300  0.66686600  0.02196100  1.0
  Co  Co32  1  0.83343300  0.16656700  0.02196100  1.0
  Co  Co33  1  0.83343300  0.66686600  0.47803900  1.0
  Co  Co34  1  0.33313400  0.16656700  0.02196100  1.0
  Co  Co35  1  0.66686600  0.83343300  0.52196100  1.0
  Co  Co36  1  0.16656700  0.33313400  0.52196100  1.0
  Co  Co37  1  0.16656700  0.83343300  0.52196100  1.0

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