Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1215758

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-1215758
  • 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: 14
  • Number of elements: 4
  • Element list: ['Zn', 'Cr', 'Ni', 'O']
  • Chemical System: Cr-Ni-O-Zn
  • Density: 5.036572453410131
  • Atomic Density: 0.09229512909002854
  • Unit Cell Volume: 151.68731154104364
  • Molar Volume: 6.524873868615266
  • Full Formula: Zn1 Cr4 Ni1 O8
  • Reduced Formula: ZnCr4NiO8
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -114.18291091
  • Final energy per atom: -8.155922207857143
  • 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.