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  1. Third-Parties
  2. MatprojStructure
  3. mp-29157

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-29157
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Si', 'P', 'Pt']
  • Chemical System: P-Pt-Si
  • Density: 5.429211588304949
  • Atomic Density: 0.057480147170756446
  • Unit Cell Volume: 208.7677326982404
  • Molar Volume: 10.476905603790485
  • Full Formula: Si6 P4 Pt2
  • Reduced Formula: Si3P2Pt
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -70.81021113999999
  • Final energy per atom: -5.900850928333333
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.