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  1. Third-Parties
  2. MatprojStructure
  3. mp-645687

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-645687
  • 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: 48
  • Number of elements: 4
  • Element list: ['Cs', 'Ti', 'P', 'S']
  • Chemical System: Cs-P-S-Ti
  • Density: 2.386444932470962
  • Atomic Density: 0.034544126267261874
  • Unit Cell Volume: 1389.5271117478085
  • Molar Volume: 17.433183034961566
  • Full Formula: Cs4 Ti4 P8 S32
  • Reduced Formula: CsTi(PS4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -260.73526982
  • Final energy per atom: -5.431984787916666
  • 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.