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  1. Third-Parties
  2. MatprojStructure
  3. mp-756921

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-756921
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Zn', 'Fe', 'O']
  • Chemical System: Fe-Li-O-Zn
  • Density: 4.672907047165552
  • Atomic Density: 0.08885361322949037
  • Unit Cell Volume: 315.12505774730664
  • Molar Volume: 6.7775980527050335
  • Full Formula: Li1 Zn1 Fe10 O16
  • Reduced Formula: LiZn(Fe5O8)2
  • Formula Anonymous: ABC10D16
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -213.32661051
  • Final energy per atom: -7.618807518214285
  • 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.