K3Pm

Traditional Materials TRA

MP-ID: mp-1185146 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

K3Pm

MP-ID

mp-1185146

Elements

Sites

Density

1.8863

g/cm³

Volume

461.81

Å³

Cell a

8.6592

Cell b

8.6592

Cell c

7.1118

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

Stability

Packing Fraction

0.7405

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
11.80	7.4991	18.4	(1,0,-1,0)
17.18	5.1603	40.3	(1,0,-1,1)
20.51	4.3296	18.9	(2,-1,-1,0)
23.73	3.7495	23.0	(2,0,-2,0)
25.04	3.5559	26.8	(0,0,0,2)
26.88	3.3168	100.0	(2,0,-2,1)
27.77	3.2130	5.2	(1,0,-1,2)
31.57	2.8344	2.5	(3,-1,-2,0)
32.59	2.7479	12.3	(2,-1,-1,2)
34.05	2.6330	17.9	(3,-1,-2,1)
34.77	2.5802	16.5	(2,0,-2,2)
35.93	2.4997	4.7	(3,0,-3,0)
39.88	2.2604	5.2	(1,0,-1,3)
40.71	2.2164	2.6	(3,-1,-2,2)
41.72	2.1648	19.3	(4,-2,-2,0)
43.51	2.0799	1.6	(4,-1,-3,0)
44.29	2.0450	5.4	(3,0,-3,2)
45.26	2.0037	22.7	(2,0,-2,3)
45.43	1.9963	7.4	(4,-1,-3,1)
48.56	1.8748	3.0	(4,0,-4,0)
49.28	1.8491	23.1	(4,-2,-2,2)
50.17	1.8184	6.3	(3,-1,-2,3)
50.33	1.8128	16.2	(4,0,-4,1)
50.86	1.7953	2.1	(4,-1,-3,2)

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Energy Properties

Formation Energy/atom

0.55335

eV/atom

Energy/atom

-11.34550

eV/atom

Energy above Hull

0.5534

eV/atom

Uncorrected Energy

-1.4671

eV/atom

Volume/atom

57.73

Å³

c/a Ratio

0.8213

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

2.2391

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.004850

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

K · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.441

Family

Binary Alloy

Matrix Element

K · 0.750

Related Tasks

Related computation task IDs (2)

aaadukbt aaadzrkz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1185146

Reference Citation

The crystal structure and related material properties of K3Pm were obtained from the Materials Project database (MP-ID: mp-1185146, 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

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Raw CIF Data

# generated using pymatgen
data_K3Pm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65916983
_cell_length_b   8.65916983
_cell_length_c   7.11183400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Pm
_chemical_formula_sum   'K6 Pm2'
_cell_volume   461.81152109
_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
  K  K0  1  0.17069200  0.34138400  0.25000000  1.0
  K  K1  1  0.65861600  0.82930800  0.25000000  1.0
  K  K2  1  0.17069200  0.82930800  0.25000000  1.0
  K  K3  1  0.82930800  0.65861600  0.75000000  1.0
  K  K4  1  0.34138400  0.17069200  0.75000000  1.0
  K  K5  1  0.82930800  0.17069200  0.75000000  1.0
  Pm  Pm6  1  0.33333300  0.66666700  0.75000000  1.0
  Pm  Pm7  1  0.66666700  0.33333300  0.25000000  1.0

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