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Ho11Ge10

传统材料 TRA

MP-ID: mp-9994 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula
Ho11Ge10
MP-ID
mp-9994
Elements
2
Sites
42
Density
8.8318
g/cm³
Volume
955.37
ų
Cell a
10.8212
Å
Cell b
10.8212
Å
Cell c
11.1854
Å
α Angle
118.93
°
β Angle
118.93
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tI
Stability
No
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
9.81 9.0183 1.1 (1,0,-1)
9.81 9.0183 1.1 (1,0,0)
11.56 7.6518 2.2 (1,1,-1)
11.56 7.6518 2.2 (1,-1,0)
23.25 3.8259 16.5 (2,2,-2)
23.25 3.8259 16.5 (2,-2,0)
24.62 3.6155 1.0 (2,-1,-2)
24.62 3.6155 1.0 (2,-1,1)
24.62 3.6155 1.0 (2,1,0)
25.29 3.5221 27.3 (3,0,-2)
25.29 3.5221 27.3 (3,0,-1)
25.72 3.4639 1.9 (2,2,-3)
25.72 3.4639 1.9 (2,-2,-1)
25.72 3.4639 3.8 (2,2,-1)
26.04 3.4220 1.5 (3,1,-2)
26.04 3.4220 1.5 (3,-1,-1)
27.38 3.2573 11.8 (2,0,-3)
27.38 3.2573 11.8 (2,0,1)
28.28 3.1556 1.1 (3,1,-3)
28.28 3.1556 1.1 (3,-1,-2)
28.28 3.1556 2.3 (3,1,-1)
28.57 3.1245 15.5 (1,0,-3)
28.57 3.1245 15.5 (1,0,2)
29.72 3.0061 7.2 (3,0,-3)
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Energy Properties

Formation Energy/atom
-0.83669
eV/atom
Energy/atom
-5.44644
eV/atom
Energy above Hull
0.0109
eV/atom
Uncorrected Energy
-24.7848
eV/atom
Volume/atom
22.75
ų
c/a Ratio
1.0337

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ho · 0.524
Element Family
N/A
Solute Fraction
0.476
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.626
Family
Binary Alloy
Matrix Element
Ho · 0.524

Related Tasks

Related computation task IDs (3)
aaacasha aaadrvla aaaeijgx

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-9994
Reference Citation

The crystal structure and related material properties of Ho11Ge10 were obtained from the Materials Project database (MP-ID: mp-9994, 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_Ho11Ge10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82122725
_cell_length_b   10.82122665
_cell_length_c   11.18539148
_cell_angle_alpha   118.92879459
_cell_angle_beta   118.92880144
_cell_angle_gamma   89.99997404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho11Ge10
_chemical_formula_sum   'Ho22 Ge20'
_cell_volume   955.36749637
_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  0.27770047  0.60134476  0.20268953  1.0
  Ho  Ho1  1  0.39865524  0.07500994  0.79730947  1.0
  Ho  Ho2  1  0.92499006  0.60134476  0.20269053  1.0
  Ho  Ho3  1  0.60134476  0.92499006  0.20269053  1.0
  Ho  Ho4  1  0.60134476  0.27770047  0.20269053  1.0
  Ho  Ho5  1  0.72229953  0.39865524  0.79731047  1.0
  Ho  Ho6  1  0.07500994  0.39865524  0.79730947  1.0
  Ho  Ho7  1  0.39865524  0.72229953  0.79731047  1.0
  Ho  Ho8  1  0.66011611  0.66011611  0.32023323  1.0
  Ho  Ho9  1  0.33988389  0.33988389  0.67976677  1.0
  Ho  Ho10  1  0.82349847  0.82349847  -0.00000000  1.0
  Ho  Ho11  1  0.17650053  0.82349847  0.00000000  1.0
  Ho  Ho12  1  0.82349947  0.17650153  -0.00000000  1.0
  Ho  Ho13  1  0.17650053  0.17650153  0.00000000  1.0
  Ho  Ho14  1  0.19022775  0.93750806  0.38045651  1.0
  Ho  Ho15  1  0.55705256  0.80977225  0.61954449  1.0
  Ho  Ho16  1  0.06249194  0.80977225  0.61954349  1.0
  Ho  Ho17  1  0.80977225  0.06249194  0.61954349  1.0
  Ho  Ho18  1  0.80977225  0.55705256  0.61954449  1.0
  Ho  Ho19  1  0.44294744  0.19022775  0.38045551  1.0
  Ho  Ho20  1  0.93750806  0.19022775  0.38045651  1.0
  Ho  Ho21  1  0.19022775  0.44294744  0.38045551  1.0
  Ge  Ge22  1  0.10916536  0.10916536  0.63556485  1.0
  Ge  Ge23  1  0.47360051  0.47360051  0.36443515  1.0
  Ge  Ge24  1  0.89083464  0.89083464  0.36443515  1.0
  Ge  Ge25  1  0.47360051  0.89083464  0.36443515  1.0
  Ge  Ge26  1  0.89083464  0.47360051  0.36443515  1.0
  Ge  Ge27  1  0.52639949  0.10916536  0.63556485  1.0
  Ge  Ge28  1  0.10916536  0.52639949  0.63556485  1.0
  Ge  Ge29  1  0.52639949  0.52639949  0.63556485  1.0
  Ge  Ge30  1  0.75000000  0.25000000  0.50000000  1.0
  Ge  Ge31  1  0.25000000  0.75000000  0.50000000  1.0
  Ge  Ge32  1  0.61969441  0.61969441  -0.00000000  1.0
  Ge  Ge33  1  0.38030559  0.61969441  0.00000000  1.0
  Ge  Ge34  1  0.61969441  0.38030559  -0.00000000  1.0
  Ge  Ge35  1  0.38030559  0.38030559  0.00000000  1.0
  Ge  Ge36  1  0.88394845  0.88394845  0.76789691  1.0
  Ge  Ge37  1  0.11605155  0.11605155  0.23210309  1.0
  Ge  Ge38  1  0.64250413  0.00000000  -0.00000000  1.0
  Ge  Ge39  1  0.00000000  0.64250413  -0.00000000  1.0
  Ge  Ge40  1  -0.00000000  0.35749587  0.00000000  1.0
  Ge  Ge41  1  0.35749587  -0.00000000  0.00000000  1.0
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