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Ac3Cd

Traditional Materials TRA

MP-ID: mp-1183100 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Ac3Cd
MP-ID
mp-1183100
Elements
2
Sites
8
Density
8.4659
g/cm³
Volume
311.24
ų
Cell a
7.7270
Å
Cell b
7.7270
Å
Cell c
6.0193
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
19.84 4.4752 7.7 (1,0,-1,1)
23.02 3.8635 2.2 (2,-1,-1,0)
26.64 3.3459 23.6 (2,0,-2,0)
29.68 3.0097 24.3 (0,0,0,2)
30.57 2.9245 100.0 (2,0,-2,1)
35.49 2.5293 2.2 (3,-1,-2,0)
37.89 2.3743 1.3 (2,-1,-1,2)
40.31 2.2376 16.0 (2,0,-2,2)
43.26 2.0916 1.2 (3,0,-3,1)
46.92 1.9363 2.1 (3,-1,-2,2)
47.04 1.9318 20.1 (4,-2,-2,0)
53.23 1.7208 21.6 (2,0,-2,3)
54.88 1.6730 1.0 (4,-4,0,0)
54.88 1.6730 2.1 (4,0,-4,0)
56.62 1.6257 15.6 (4,-2,-2,2)
56.62 1.6257 7.8 (2,2,-4,2)
57.15 1.6119 16.8 (4,0,-4,1)
61.63 1.5048 3.2 (0,0,0,4)
62.43 1.4876 1.3 (5,-2,-3,1)
63.64 1.4622 4.0 (4,0,-4,2)
68.35 1.3724 3.4 (2,0,-2,4)
73.74 1.2849 8.0 (4,0,-4,3)
75.12 1.2646 1.6 (6,-2,-4,0)
77.06 1.2376 9.0 (6,-2,-4,1)
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Energy Properties

Formation Energy/atom
-0.08138
eV/atom
Energy/atom
-56.58573
eV/atom
Energy above Hull
0.0653
eV/atom
Uncorrected Energy
-3.3466
eV/atom
Volume/atom
38.91
ų
c/a Ratio
0.7790

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.3632
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.001170
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
0.598
Family
Binary Alloy
Matrix Element
Ac · 0.750

Related Tasks

Related computation task IDs (2)
aaadbror aaadvfli

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1183100
Reference Citation

The crystal structure and related material properties of Ac3Cd were obtained from the Materials Project database (MP-ID: mp-1183100, 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_Ac3Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72701227
_cell_length_b   7.72701227
_cell_length_c   6.01933200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000232
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Cd
_chemical_formula_sum   'Ac6 Cd2'
_cell_volume   311.24481347
_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  0.17386000  0.34772000  0.25000000  1.0
  Ac  Ac1  1  0.65228000  0.82614000  0.25000000  1.0
  Ac  Ac2  1  0.17386000  0.82614000  0.25000000  1.0
  Ac  Ac3  1  0.82614000  0.65228000  0.75000000  1.0
  Ac  Ac4  1  0.34772000  0.17386000  0.75000000  1.0
  Ac  Ac5  1  0.82614000  0.17386000  0.75000000  1.0
  Cd  Cd6  1  0.33333300  0.66666700  0.75000000  1.0
  Cd  Cd7  1  0.66666700  0.33333300  0.25000000  1.0
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