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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215465

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-1215465
  • 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: 6
  • Number of elements: 4
  • Element list: ['Zr', 'Si', 'Te', 'As']
  • Chemical System: As-Si-Te-Zr
  • Density: 6.203738281679857
  • Atomic Density: 0.04146057460668071
  • Unit Cell Volume: 144.71579462946457
  • Molar Volume: 14.524981424231461
  • Full Formula: Zr2 Si1 Te2 As1
  • Reduced Formula: Zr2SiTe2As
  • Formula Anonymous: ABC2D2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -39.30545709
  • Final energy per atom: -6.550909515
  • 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.