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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215549

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-1215549
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Zn', 'Si', 'As', 'P']
  • Chemical System: As-P-Si-Zn
  • Density: 3.676285209200566
  • Atomic Density: 0.04991458295574407
  • Unit Cell Volume: 160.27380228926415
  • Molar Volume: 12.064892469079489
  • Full Formula: Zn2 Si2 As1 P3
  • Reduced Formula: Zn2Si2AsP3
  • Formula Anonymous: AB2C2D3
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -36.50065733
  • Final energy per atom: -4.56258216625
  • 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.