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Ac3Pa

Traditional Materials TRA

MP-ID: mp-1183126 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula
Ac3Pa
MP-ID
mp-1183126
Elements
2
Sites
8
Density
9.6481
g/cm³
Volume
313.94
ų
Cell a
7.6464
Å
Cell b
7.6464
Å
Cell c
6.2002
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 20)
2θd (Å)Ihkl
26.93 3.3110 23.0 (2,0,-2,0)
28.80 3.1001 26.1 (0,0,0,2)
30.61 2.9206 100.0 (2,0,-2,1)
39.83 2.2630 16.6 (2,0,-2,2)
47.57 1.9116 20.0 (4,-2,-2,0)
52.17 1.7532 23.3 (2,0,-2,3)
55.51 1.6555 3.2 (4,0,-4,0)
56.56 1.6271 24.2 (4,-2,-2,2)
57.63 1.5995 17.1 (4,0,-4,1)
59.65 1.5501 3.5 (0,0,0,4)
63.73 1.4603 4.2 (4,0,-4,2)
66.62 1.4038 3.8 (2,0,-2,4)
73.26 1.2921 8.5 (4,0,-4,3)
76.05 1.2514 2.5 (6,-2,-4,0)
77.87 1.2267 14.2 (6,-2,-4,1)
79.63 1.2040 9.2 (4,-2,-2,4)
83.19 1.1613 6.3 (2,0,-2,5)
83.26 1.1605 4.1 (6,-2,-4,2)
85.90 1.1315 1.9 (4,0,-4,4)
88.62 1.1037 3.5 (6,0,-6,0)
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Energy Properties

Formation Energy/atom
0.41565
eV/atom
Energy/atom
-70.27646
eV/atom
Energy above Hull
0.4157
eV/atom
Uncorrected Energy
-5.0539
eV/atom
Volume/atom
39.24
ų
c/a Ratio
0.8109

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
2.6082
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.008310
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
0.441
Family
Binary Alloy
Matrix Element
Ac · 0.750

Related Tasks

Related computation task IDs (2)
aaadbloy aaadveol

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1183126
Reference Citation

The crystal structure and related material properties of Ac3Pa were obtained from the Materials Project database (MP-ID: mp-1183126, 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_Ac3Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64637612
_cell_length_b   7.64637612
_cell_length_c   6.20020600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ac3Pa
_chemical_formula_sum   'Ac6 Pa2'
_cell_volume   313.94101627
_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  0.17198500  0.34397000  0.25000000  1.0
  Ac  Ac1  1  0.65603000  0.82801500  0.25000000  1.0
  Ac  Ac2  1  0.17198500  0.82801500  0.25000000  1.0
  Ac  Ac3  1  0.82801500  0.65603000  0.75000000  1.0
  Ac  Ac4  1  0.34397000  0.17198500  0.75000000  1.0
  Ac  Ac5  1  0.82801500  0.17198500  0.75000000  1.0
  Pa  Pa6  1  0.33333300  0.66666700  0.75000000  1.0
  Pa  Pa7  1  0.66666700  0.33333300  0.25000000  1.0
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