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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223576

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-1223576
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['La', 'Ce', 'Mo', 'S']
  • Chemical System: Ce-La-Mo-S
  • Density: 5.811632643726796
  • Atomic Density: 0.05402828639996309
  • Unit Cell Volume: 555.2646955691805
  • Molar Volume: 11.14627385258718
  • Full Formula: La1 Ce1 Mo12 S16
  • Reduced Formula: LaCe(Mo3S4)4
  • Formula Anonymous: ABC12D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -243.35819157
  • Final energy per atom: -8.111939719
  • 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.