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  1. Third-Parties
  2. MatprojStructure
  3. mp-682548

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-682548
  • 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: 31
  • Number of elements: 5
  • Element list: ['Cs', 'Te', 'H', 'N', 'Cl']
  • Chemical System: Cl-Cs-H-N-Te
  • Density: 3.1329764199296752
  • Atomic Density: 0.03433385410587976
  • Unit Cell Volume: 902.8989260687507
  • Molar Volume: 17.53994975754468
  • Full Formula: Cs5 Te3 H4 N1 Cl18
  • Reduced Formula: Cs5Te3H4NCl18
  • Formula Anonymous: AB3C4D5E18
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -115.16718828
  • Final energy per atom: -3.7150705896774197
  • 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.