Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-554698

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-554698
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 90
  • Number of elements: 4
  • Element list: ['K', 'Mn', 'Mo', 'O']
  • Chemical System: K-Mn-Mo-O
  • Density: 3.11443254628531
  • Atomic Density: 0.054469703667747664
  • Unit Cell Volume: 1652.294650783833
  • Molar Volume: 11.05594551557254
  • Full Formula: K20 Mn2 Mo14 O54
  • Reduced Formula: K10MnMo7O27
  • Formula Anonymous: AB7C10D27
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -649.2840669100001
  • Final energy per atom: -7.214267410111112
  • 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.