Download Simmate

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

learn more

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-1031738
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Hf', 'Mg', 'Co', 'O']
  • Chemical System: Co-Hf-Mg-O
  • Density: 5.097069297661275
  • Atomic Density: 0.09606373445017283
  • Unit Cell Volume: 166.55608999147353
  • Molar Volume: 6.268901364774256
  • Full Formula: Hf1 Mg6 Co1 O8
  • Reduced Formula: HfMg6CoO8
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -109.43071012
  • Final energy per atom: -6.8394193825
  • 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.