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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195417

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-1195417
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['Cs', 'Ge', 'P', 'Se']
  • Chemical System: Cs-Ge-P-Se
  • Density: 3.6462128837153025
  • Atomic Density: 0.027518321947227888
  • Unit Cell Volume: 3052.51171060094
  • Molar Volume: 21.88411332474672
  • Full Formula: Cs16 Ge4 P16 Se48
  • Reduced Formula: Cs4Ge(PSe3)4
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -356.70172379
  • Final energy per atom: -4.246449092738096
  • 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.