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  1. Third-Parties
  2. MatprojStructure
  3. mp-10502

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-10502
  • 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: 18
  • Number of elements: 4
  • Element list: ['Ba', 'Ce', 'Mn', 'S']
  • Chemical System: Ba-Ce-Mn-S
  • Density: 4.983677750055958
  • Atomic Density: 0.04268367109638201
  • Unit Cell Volume: 421.70693236191045
  • Molar Volume: 14.108769478617909
  • Full Formula: Ba2 Ce4 Mn2 S10
  • Reduced Formula: BaCe2MnS5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -123.73706798
  • Final energy per atom: -6.874281554444445
  • 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.