Zn12Pt7
传统材料 TRAMP-ID: mp-30857 · Space group: Pbam (#55)
Basic Information
Formula
Zn12Pt7
MP-ID
mp-30857
Elements
2
Sites
38
Density
12.7992
g/cm³
Volume
558.00
ų
Cell a
2.7775
Å
Cell b
6.9807
Å
Cell c
28.7791
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pbam
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
Stability
No
Packing Fraction
-
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 |
|---|---|---|---|
| 12.30 | 7.1948 | 2.0 | (0,0,4) |
| 14.10 | 6.2808 | 2.8 | (0,1,2) |
| 14.10 | 6.2806 | 2.8 | (0,1,-2) |
| 15.70 | 5.6446 | 1.3 | (0,1,3) |
| 15.70 | 5.6443 | 1.3 | (0,1,-3) |
| 22.49 | 3.9534 | 1.2 | (0,1,6) |
| 22.49 | 3.9532 | 1.1 | (0,1,-6) |
| 25.14 | 3.5427 | 58.5 | (0,1,7) |
| 25.14 | 3.5425 | 58.5 | (0,1,-7) |
| 25.52 | 3.4904 | 44.5 | (0,2,0) |
| 25.71 | 3.4650 | 1.9 | (0,2,1) |
| 25.71 | 3.4650 | 1.9 | (0,2,-1) |
| 32.23 | 2.7775 | 8.0 | (1,0,0) |
| 39.22 | 2.2971 | 11.3 | (0,3,2) |
| 39.22 | 2.2971 | 11.2 | (0,3,-2) |
| 39.74 | 2.2682 | 10.0 | (0,1,12) |
| 39.74 | 2.2681 | 10.0 | (0,1,-12) |
| 40.63 | 2.2205 | 6.1 | (0,2,10) |
| 40.63 | 2.2204 | 6.1 | (0,2,-10) |
| 41.30 | 2.1858 | 100.0 | (1,1,7) |
| 41.31 | 2.1858 | 50.0 | (1,-1,7) |
| 41.31 | 2.1858 | 50.0 | (1,1,-7) |
| 41.55 | 2.1734 | 49.0 | (1,-2,0) |
| 41.55 | 2.1734 | 49.0 | (1,2,0) |
Energy Properties
Formation Energy/atom
-0.48749
eV/atom
Energy/atom
-3.51985
eV/atom
Energy above Hull
0.0078
eV/atom
Uncorrected Energy
-25.1356
eV/atom
Volume/atom
14.68
ų
c/a Ratio
10.3614
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.632
Element Family
N/A
Solute Fraction
0.368
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.843
Family
Zn-based Alloy
Matrix Element
Zn · 0.632
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-30857
Reference Citation
The crystal structure and related material properties of Zn12Pt7 were obtained from the Materials Project database (MP-ID: mp-30857, 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_Zn12Pt7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.77752545
_cell_length_b 6.98074215
_cell_length_c 28.77905897
_cell_angle_alpha 89.99684005
_cell_angle_beta 90.00000079
_cell_angle_gamma 90.00000584
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn12Pt7
_chemical_formula_sum 'Zn24 Pt14'
_cell_volume 558.00261246
_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
Zn Zn0 1 0.49999984 0.87620527 0.07137673 1.0
Zn Zn1 1 0.50000001 0.12379053 0.92867394 1.0
Zn Zn2 1 0.50000004 0.37615515 0.42862954 1.0
Zn Zn3 1 0.50000128 0.62377763 0.57128443 1.0
Zn Zn4 1 0.49999994 0.86211491 0.21612217 1.0
Zn Zn5 1 0.49999999 0.13790972 0.78390467 1.0
Zn Zn6 1 0.50000009 0.36217780 0.28397595 1.0
Zn Zn7 1 0.49999996 0.63778693 0.71603762 1.0
Zn Zn8 1 0.50000000 0.81701434 0.49218096 1.0
Zn Zn9 1 0.50000001 0.18301735 0.50771092 1.0
Zn Zn10 1 0.50000001 0.31700702 0.00780567 1.0
Zn Zn11 1 0.49999996 0.68303014 0.99225435 1.0
Zn Zn12 1 0.49999990 0.63158447 0.14324040 1.0
Zn Zn13 1 0.50000002 0.36838557 0.85679381 1.0
Zn Zn14 1 0.49999997 0.74561609 0.89917318 1.0
Zn Zn15 1 0.49999984 0.25439784 0.10086706 1.0
Zn Zn16 1 0.49999996 0.24564608 0.60076522 1.0
Zn Zn17 1 0.50000000 0.75433966 0.39918555 1.0
Zn Zn18 1 0.50000003 0.76958281 0.80080846 1.0
Zn Zn19 1 0.49999992 0.23044956 0.19920509 1.0
Zn Zn20 1 0.49999998 0.26940654 0.69911179 1.0
Zn Zn21 1 0.49999997 0.73058574 0.30088599 1.0
Zn Zn22 1 0.49999985 0.86839452 0.64316897 1.0
Zn Zn23 1 0.49999992 0.13157168 0.35681300 1.0
Pt Pt24 1 -0.00000026 0.53721185 0.06735587 1.0
Pt Pt25 1 -0.00000007 0.46278218 0.93264973 1.0
Pt Pt26 1 -0.00000003 0.03721932 0.43262402 1.0
Pt Pt27 1 0.00000006 0.96277485 0.56728917 1.0
Pt Pt28 1 -0.00000008 0.54081302 0.21901986 1.0
Pt Pt29 1 0.00000013 0.45920552 0.78108385 1.0
Pt Pt30 1 -0.00000014 0.04091977 0.28111959 1.0
Pt Pt31 1 -0.00000025 0.95909997 0.71893545 1.0
Pt Pt32 1 0.00000027 0.49563049 0.35575512 1.0
Pt Pt33 1 0.00000003 0.50435913 0.64421218 1.0
Pt Pt34 1 -0.00000050 0.99560552 0.14430238 1.0
Pt Pt35 1 0.00000023 0.00440382 0.85575101 1.0
Pt Pt36 1 0.00000027 0.50001901 0.49992917 1.0
Pt Pt37 1 -0.00000016 0.00000721 -0.00000384 1.0
