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  1. Third-Parties
  2. MatprojStructure
  3. mp-5883

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-5883
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Cs', 'Mo', 'Se']
  • Chemical System: Cs-Mo-Se
  • Density: 5.997007671744421
  • Atomic Density: 0.040087321835835195
  • Unit Cell Volume: 698.4751965887132
  • Molar Volume: 15.02255696866394
  • Full Formula: Cs2 Mo12 Se14
  • Reduced Formula: CsMo6Se7
  • Formula Anonymous: AB6C7
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -205.40662952
  • Final energy per atom: -7.335951054285714
  • 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.