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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204618

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-1204618
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 3
  • Element list: ['K', 'Mo', 'Se']
  • Chemical System: K-Mo-Se
  • Density: 6.0356873617327835
  • Atomic Density: 0.043363825975720714
  • Unit Cell Volume: 1660.3700983467788
  • Molar Volume: 13.887475619360202
  • Full Formula: K4 Mo30 Se38
  • Reduced Formula: K2Mo15Se19
  • Formula Anonymous: A2B15C19
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -523.94101054
  • Final energy per atom: -7.2769584797222215
  • 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.