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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224595

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-1224595
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['K', 'Mo', 'Se', 'O']
  • Chemical System: K-Mo-O-Se
  • Density: 3.9179844027566637
  • Atomic Density: 0.031204899190898847
  • Unit Cell Volume: 1153.6649991966544
  • Molar Volume: 19.2987028195765
  • Full Formula: K4 Mo6 Se25 O1
  • Reduced Formula: K4Mo6Se25O
  • Formula Anonymous: AB4C6D25
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -182.3854964
  • Final energy per atom: -5.066263788888889
  • 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.