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Ac3Ho

Traditional Materials TRA

MP-ID: mp-1183111 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Ac3Ho
MP-ID
mp-1183111
Elements
2
Sites
8
Density
8.3551
g/cm³
Volume
336.25
ų
Cell a
7.8270
Å
Cell b
7.8270
Å
Cell c
6.3378
Å
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
hP
Stability
No
Packing Fraction
0.7405

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
19.17 4.6294 1.9 (1,0,-1,1)
26.30 3.3892 23.0 (2,0,-2,0)
28.16 3.1689 25.9 (0,0,0,2)
29.90 2.9887 100.0 (2,0,-2,1)
38.91 2.3147 5.6 (2,-2,0,2)
38.91 2.3147 11.1 (2,0,-2,2)
46.40 1.9568 13.5 (4,-2,-2,0)
46.40 1.9568 6.8 (2,2,-4,0)
50.94 1.7928 23.4 (2,0,-2,3)
54.12 1.6946 3.2 (4,0,-4,0)
55.17 1.6649 24.6 (4,-2,-2,2)
56.19 1.6371 17.4 (4,0,-4,1)
58.23 1.5845 3.5 (0,0,0,4)
62.11 1.4944 4.3 (4,0,-4,2)
64.97 1.4354 3.8 (2,0,-2,4)
71.35 1.3219 8.7 (4,0,-4,3)
74.00 1.2810 2.6 (6,-2,-4,0)
75.76 1.2556 14.6 (6,-2,-4,1)
77.52 1.2314 9.3 (4,-2,-2,4)
80.95 1.1876 4.1 (6,-2,-4,2)
80.98 1.1873 6.3 (2,0,-2,5)
83.53 1.1574 1.9 (4,0,-4,4)
86.06 1.1297 1.2 (6,-6,0,0)
86.06 1.1297 2.4 (6,0,-6,0)
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Energy Properties

Formation Energy/atom
0.07055
eV/atom
Energy/atom
-59.62790
eV/atom
Energy above Hull
0.0706
eV/atom
Uncorrected Energy
-4.1659
eV/atom
Volume/atom
42.03
ų
c/a Ratio
0.8097

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0100
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000030
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ac · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.594
Family
Binary Alloy
Matrix Element
Ac · 0.750

Related Tasks

Related computation task IDs (2)
aaadcefb aaadtvuy

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1183111
Reference Citation

The crystal structure and related material properties of Ac3Ho were obtained from the Materials Project database (MP-ID: mp-1183111, 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_Ac3Ho
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82700820
_cell_length_b   7.82700820
_cell_length_c   6.33781700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Ho
_chemical_formula_sum   'Ac6 Ho2'
_cell_volume   336.24969367
_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
  Ac  Ac0  1  0.16973700  0.33947400  0.25000000  1.0
  Ac  Ac1  1  0.66052600  0.83026300  0.25000000  1.0
  Ac  Ac2  1  0.16973700  0.83026300  0.25000000  1.0
  Ac  Ac3  1  0.83026300  0.66052600  0.75000000  1.0
  Ac  Ac4  1  0.33947400  0.16973700  0.75000000  1.0
  Ac  Ac5  1  0.83026300  0.16973700  0.75000000  1.0
  Ho  Ho6  1  0.33333300  0.66666700  0.75000000  1.0
  Ho  Ho7  1  0.66666700  0.33333300  0.25000000  1.0
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