Hf11Ga10

Traditional Materials TRA

MP-ID: mp-30703 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Hf11Ga10

MP-ID

mp-30703

Elements

Sites

Density

11.4148

g/cm³

Volume

774.09

Å³

Cell a

10.3236

Cell b

10.3236

Cell c

10.3236

α Angle

120.33

β Angle

120.33

γ Angle

89.43

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

Packing Fraction

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
12.19	7.2636	4.0	(1,-1,0)
17.18	5.1615	1.5	(2,0,-1)
17.27	5.1362	1.4	(1,-1,1)
21.12	4.2074	3.2	(2,0,-2)
24.51	3.6318	12.4	(2,-2,0)
26.62	3.3484	2.9	(3,0,-2)
26.73	3.3345	22.0	(2,-1,-2)
27.24	3.2742	2.8	(2,2,-3)
27.40	3.2548	4.6	(3,-1,-1)
29.93	2.9849	5.5	(3,1,-3)
30.09	2.9702	3.9	(3,-1,-2)
31.71	2.8215	7.8	(3,2,-3)
31.91	2.8050	4.2	(3,0,-3)
32.00	2.7968	2.3	(3,-2,-1)
34.76	2.5808	3.8	(4,0,-2)
34.94	2.5681	33.5	(2,-2,2)
36.33	2.4729	100.0	(3,2,-4)
36.50	2.4618	91.9	(4,-1,-2)
36.58	2.4563	10.3	(3,-2,-2)
36.75	2.4453	11.1	(3,3,-3)
36.96	2.4318	27.0	(4,0,-3)
37.09	2.4239	43.0	(3,-1,-3)
37.13	2.4212	61.7	(3,-3,0)
38.86	2.3175	11.4	(3,3,-4)

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Energy Properties

Formation Energy/atom

-0.56840

eV/atom

Energy/atom

-29.66808

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-29.6681

eV/atom

Volume/atom

18.43

Å³

c/a Ratio

1.0000

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

Hf · 0.524

Element Family

N/A

Solute Fraction

0.476

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.633

Family

Binary Alloy

Matrix Element

Hf · 0.524

Related Tasks

Related computation task IDs (2)

aaacbpjy aaaeluck

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30703

Reference Citation

The crystal structure and related material properties of Hf11Ga10 were obtained from the Materials Project database (MP-ID: mp-30703, 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_Hf11Ga10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32357420
_cell_length_b   10.32357420
_cell_length_c   10.32357420
_cell_angle_alpha   120.32811278
_cell_angle_beta   120.32811278
_cell_angle_gamma   89.43262532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf11Ga10
_chemical_formula_sum   'Hf22 Ga20'
_cell_volume   774.09268611
_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
  Hf  Hf0  1  0.32284039  0.32284039  0.00000000  1.0
  Hf  Hf1  1  0.67715961  0.67715961  -0.00000000  1.0
  Hf  Hf2  1  0.17517775  0.17517775  0.35035551  1.0
  Hf  Hf3  1  0.17517775  0.82482225  0.00000000  1.0
  Hf  Hf4  1  0.82482225  0.17517775  -0.00000000  1.0
  Hf  Hf5  1  0.82482225  0.82482225  0.64964449  1.0
  Hf  Hf6  1  0.43925326  0.18830161  0.25095164  1.0
  Hf  Hf7  1  0.18830161  0.93734997  0.74904836  1.0
  Hf  Hf8  1  0.18830161  0.43925326  0.25095164  1.0
  Hf  Hf9  1  0.56074674  0.81169839  0.74904836  1.0
  Hf  Hf10  1  0.06265003  0.81169839  0.25095164  1.0
  Hf  Hf11  1  0.81169839  0.06265003  0.25095164  1.0
  Hf  Hf12  1  0.81169839  0.56074674  0.74904836  1.0
  Hf  Hf13  1  0.93734997  0.18830161  0.74904836  1.0
  Hf  Hf14  1  0.73033820  0.39655838  0.33377982  1.0
  Hf  Hf15  1  0.39655838  0.06277957  0.66622018  1.0
  Hf  Hf16  1  0.39655838  0.73033820  0.33377982  1.0
  Hf  Hf17  1  0.26966180  0.60344162  0.66622018  1.0
  Hf  Hf18  1  0.93722043  0.60344162  0.33377982  1.0
  Hf  Hf19  1  0.60344162  0.93722043  0.33377982  1.0
  Hf  Hf20  1  0.60344162  0.26966180  0.66622018  1.0
  Hf  Hf21  1  0.06277957  0.39655838  0.66622018  1.0
  Ga  Ga22  1  0.75000000  0.25000000  0.50000000  1.0
  Ga  Ga23  1  0.25000000  0.75000000  0.50000000  1.0
  Ga  Ga24  1  0.10796474  0.10796474  0.00000000  1.0
  Ga  Ga25  1  0.89203526  0.89203526  -0.00000000  1.0
  Ga  Ga26  1  0.37298853  0.37298853  0.74597706  1.0
  Ga  Ga27  1  0.37298853  0.62701147  -0.00000000  1.0
  Ga  Ga28  1  0.62701147  0.37298853  -0.00000000  1.0
  Ga  Ga29  1  0.62701147  0.62701147  0.25402294  1.0
  Ga  Ga30  1  0.00000000  0.35678090  0.35678090  1.0
  Ga  Ga31  1  0.35678090  0.00000000  0.35678090  1.0
  Ga  Ga32  1  0.64321910  0.00000000  0.64321910  1.0
  Ga  Ga33  1  0.00000000  0.64321910  0.64321910  1.0
  Ga  Ga34  1  0.53333893  0.53333893  0.41315200  1.0
  Ga  Ga35  1  0.53333893  0.12018693  -0.00000000  1.0
  Ga  Ga36  1  0.12018693  0.53333893  -0.00000000  1.0
  Ga  Ga37  1  0.46666107  0.87981307  0.00000000  1.0
  Ga  Ga38  1  0.87981307  0.46666107  0.00000000  1.0
  Ga  Ga39  1  0.87981307  0.87981307  0.41315200  1.0
  Ga  Ga40  1  0.46666107  0.46666107  0.58684800  1.0
  Ga  Ga41  1  0.12018693  0.12018693  0.58684800  1.0

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