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  1. Third-Parties
  2. MatprojStructure
  3. mp-1043538

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-1043538
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Zn', 'Cr', 'Si', 'O']
  • Chemical System: Cr-O-Si-Zn
  • Density: 3.2109727179683087
  • Atomic Density: 0.07938369216203214
  • Unit Cell Volume: 806.2109264125422
  • Molar Volume: 7.586118251728642
  • Full Formula: Zn4 Cr4 Si16 O40
  • Reduced Formula: ZnCr(Si2O5)2
  • Formula Anonymous: ABC4D10
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -512.23320283
  • Final energy per atom: -8.00364379421875
  • 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.