Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-705159

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-705159
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 4
  • Element list: ['K', 'Co', 'Mo', 'O']
  • Chemical System: Co-K-Mo-O
  • Density: 3.884443188671591
  • Atomic Density: 0.0657606939324256
  • Unit Cell Volume: 2311.4111319474855
  • Molar Volume: 9.157659993959667
  • Full Formula: K16 Co16 Mo24 O96
  • Reduced Formula: K2Co2(MoO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1155.47781577
  • Final energy per atom: -7.601827735328947
  • 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.