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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200592

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-1200592
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Cs', 'Th', 'Mo', 'Cl', 'O']
  • Chemical System: Cl-Cs-Mo-O-Th
  • Density: 4.644606878027654
  • Atomic Density: 0.05048319783279897
  • Unit Cell Volume: 1030.0456831642223
  • Molar Volume: 11.929000179317901
  • Full Formula: Cs4 Th4 Mo8 Cl4 O32
  • Reduced Formula: CsThMo2ClO8
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -420.06764146
  • Final energy per atom: -8.078223874230769
  • 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.