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  1. Third-Parties
  2. MatprojStructure
  3. mp-651347

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-651347
  • 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: 160
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'Se']
  • Chemical System: K-Mo-Se
  • Density: 4.376606602308686
  • Atomic Density: 0.03489650196673621
  • Unit Cell Volume: 4584.986774677704
  • Molar Volume: 17.25714733740471
  • Full Formula: K24 Mo24 Se112
  • Reduced Formula: K3Mo3Se14
  • Formula Anonymous: A3B3C14
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -824.0272598399999
  • Final energy per atom: -5.150170374
  • 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.