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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214220

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-1214220
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ce', 'Fe', 'S']
  • Chemical System: Ce-Fe-S
  • Density: 5.302608679202858
  • Atomic Density: 0.052041478333342515
  • Unit Cell Volume: 345.87795305706294
  • Molar Volume: 11.5718095505017
  • Full Formula: Ce4 Fe4 S10
  • Reduced Formula: Ce2Fe2S5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -126.47964063
  • Final energy per atom: -7.026646701666667
  • 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.