Basic Information
Formula
Er2Co12P7
MP-ID
mp-7788
Elements
3
Sites
21
Density
8.5242
g/cm³
Volume
245.17
ų
Cell a
8.9106
Å
Cell b
8.9106
Å
Cell c
3.5654
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6
Point Group
-6
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
Yes
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)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 11.47 | 7.7169 | 10.7 | (1,0,-1,0) |
| 11.47 | 7.7169 | 10.7 | (0,1,-1,0) |
| 11.47 | 7.7168 | 10.7 | (1,-1,0,0) |
| 19.93 | 4.4554 | 10.5 | (1,1,-2,0) |
| 19.93 | 4.4553 | 10.5 | (2,-1,-1,0) |
| 19.93 | 4.4553 | 10.5 | (1,-2,1,0) |
| 23.05 | 3.8585 | 4.9 | (2,0,-2,0) |
| 23.05 | 3.8584 | 4.9 | (0,2,-2,0) |
| 23.05 | 3.8584 | 4.9 | (2,-2,0,0) |
| 27.56 | 3.2367 | 12.8 | (1,0,-1,1) |
| 27.56 | 3.2367 | 25.5 | (1,0,-1,-1) |
| 27.56 | 3.2367 | 12.8 | (0,1,-1,1) |
| 27.56 | 3.2367 | 12.8 | (1,-1,0,1) |
| 27.56 | 3.2366 | 12.8 | (1,-1,0,-1) |
| 30.65 | 2.9167 | 5.3 | (2,1,-3,0) |
| 30.65 | 2.9167 | 16.3 | (1,2,-3,0) |
| 30.65 | 2.9167 | 16.4 | (3,-1,-2,0) |
| 30.65 | 2.9167 | 5.3 | (1,-3,2,0) |
| 30.65 | 2.9167 | 5.3 | (3,-2,-1,0) |
| 30.65 | 2.9167 | 16.3 | (2,-3,1,0) |
| 32.15 | 2.7838 | 1.8 | (1,1,-2,1) |
| 32.15 | 2.7838 | 1.8 | (1,1,-2,-1) |
| 32.15 | 2.7838 | 1.7 | (2,-1,-1,1) |
| 32.15 | 2.7838 | 1.7 | (2,-1,-1,-1) |
Energy Properties
Formation Energy/atom
-0.79466
eV/atom
Energy/atom
-7.11107
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.5399
eV/atom
Volume/atom
11.67
ų
c/a Ratio
0.4001
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
6.4268
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.026210
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Co · 0.571
Element Family
3d-TM
Solute Fraction
0.429
Interstitial Fraction
0.333
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9099
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.5651
J/mol·K
Ω Parameter
1.1816
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.181%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2631
smaller = more stable mixing
VEC
7.952
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
8.244
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8282
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-7788
Reference Citation
The crystal structure and related material properties of Er2Co12P7 were obtained from the Materials Project database (MP-ID: mp-7788, 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…
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Raw CIF Data
# generated using pymatgen
data_Er2Co12P7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91060734
_cell_length_b 8.91057940
_cell_length_c 3.56542230
_cell_angle_alpha 90.00004419
_cell_angle_beta 89.99995189
_cell_angle_gamma 119.99891080
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2Co12P7
_chemical_formula_sum 'Er2 Co12 P7'
_cell_volume 245.16565236
_cell_formula_units_Z 1
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
Er Er0 1 0.66663864 0.33336682 0.50000142 1.0
Er Er1 1 0.33338707 0.66665441 0.00000461 1.0
Co Co2 1 0.11915889 0.84632293 -0.00000147 1.0
Co Co3 1 0.38202052 0.43369777 0.50000308 1.0
Co Co4 1 0.72716193 0.88084332 -0.00000049 1.0
Co Co5 1 0.56630034 0.94829459 0.49999944 1.0
Co Co6 1 0.22931306 0.10016901 0.49999650 1.0
Co Co7 1 0.87083641 0.77069737 0.49999997 1.0
Co Co8 1 0.89984042 0.12912205 0.49999653 1.0
Co Co9 1 0.94001275 0.37306597 -0.00000048 1.0
Co Co10 1 0.62693256 0.56693895 0.00000137 1.0
Co Co11 1 0.43305371 0.05998587 -0.00000103 1.0
Co Co12 1 0.05168567 0.61801131 0.49999995 1.0
Co Co13 1 0.15369461 0.27285783 -0.00000050 1.0
P P14 1 -0.00002215 -0.00000940 -0.00000297 1.0
P P15 1 0.59559422 0.70766875 0.50000065 1.0
P P16 1 0.70382952 0.11285202 -0.00000002 1.0
P P17 1 0.88713083 0.59098225 0.00000069 1.0
P P18 1 0.40903462 0.29615740 0.00000345 1.0
P P19 1 0.29232186 0.88791629 0.49999982 1.0
P P20 1 0.11207551 0.40440248 0.49999949 1.0
