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  1. Third-Parties
  2. MatprojStructure
  3. mp-977351

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-977351
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['Ac', 'S']
  • Chemical System: Ac-S
  • Density: 5.557485038624526
  • Atomic Density: 0.030414632253797966
  • Unit Cell Volume: 328.7891142840062
  • Molar Volume: 19.80014326574012
  • Full Formula: Ac4 S6
  • Reduced Formula: Ac2S3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -65.5410188
  • Final energy per atom: -6.55410188
  • 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.