Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1229319

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-1229319
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 178
  • Number of elements: 3
  • Element list: ['Co', 'As', 'O']
  • Chemical System: As-Co-O
  • Density: 4.611603639669085
  • Atomic Density: 0.082673606503812
  • Unit Cell Volume: 2153.0450590877826
  • Molar Volume: 7.2842361845219905
  • Full Formula: Co40 As24 O114
  • Reduced Formula: Co20(As4O19)3
  • Formula Anonymous: A12B20C57
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -1198.8004267
  • Final energy per atom: -6.734833857865168
  • 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.