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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229164

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-1229164
  • 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: 9
  • Number of elements: 3
  • Element list: ['Cs', 'Th', 'Se']
  • Chemical System: Cs-Se-Th
  • Density: 6.1603536031571755
  • Atomic Density: 0.031182748260085123
  • Unit Cell Volume: 288.6211287386839
  • Molar Volume: 19.312411817493732
  • Full Formula: Cs1 Th2 Se6
  • Reduced Formula: Cs(ThSe3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -52.80717036
  • Final energy per atom: -5.867463373333333
  • 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.