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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198887

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-1198887
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Cs', 'Te', 'Mo']
  • Chemical System: Cs-Mo-Te
  • Density: 6.219519239373093
  • Atomic Density: 0.032683126413815676
  • Unit Cell Volume: 1713.4223724792714
  • Molar Volume: 18.425840550720217
  • Full Formula: Cs6 Te26 Mo24
  • Reduced Formula: Cs3Te13Mo12
  • Formula Anonymous: A3B12C13
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -372.93110429
  • Final energy per atom: -6.659484005178571
  • 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.