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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202502

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-1202502
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 4
  • Element list: ['Cs', 'Ge', 'Pb', 'S']
  • Chemical System: Cs-Ge-Pb-S
  • Density: 4.052397394685581
  • Atomic Density: 0.031641758092401835
  • Unit Cell Volume: 3666.041553735764
  • Molar Volume: 19.032257128108515
  • Full Formula: Cs16 Ge20 Pb16 S64
  • Reduced Formula: Cs4Ge5(PbS4)4
  • Formula Anonymous: A4B4C5D16
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -541.20975131
  • Final energy per atom: -4.665601304396552
  • 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.