Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1205282

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-1205282
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 208
  • Number of elements: 5
  • Element list: ['K', 'Co', 'Mo', 'As', 'O']
  • Chemical System: As-Co-K-Mo-O
  • Density: 3.397223537420729
  • Atomic Density: 0.05919422036337234
  • Unit Cell Volume: 3513.8565678061427
  • Molar Volume: 10.173528298932249
  • Full Formula: K8 Co8 Mo24 As24 O144
  • Reduced Formula: KCoMo3(AsO6)3
  • Formula Anonymous: ABC3D3E18
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1463.70915039
  • Final energy per atom: -7.037063223028847
  • 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.