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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216076

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-1216076
  • 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: 69
  • Number of elements: 4
  • Element list: ['Zn', 'Cr', 'Ga', 'Se']
  • Chemical System: Cr-Ga-Se-Zn
  • Density: 5.30787396924901
  • Atomic Density: 0.04590861419261663
  • Unit Cell Volume: 1502.9859039199032
  • Molar Volume: 13.117670541596366
  • Full Formula: Zn5 Cr20 Ga4 Se40
  • Reduced Formula: Zn5Cr20(GaSe10)4
  • Formula Anonymous: A4B5C20D40
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -409.33954561
  • Final energy per atom: -5.932457182753623
  • 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.