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  1. Third-Parties
  2. MatprojStructure
  3. mp-561235

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-561235
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['As', 'C', 'S', 'F']
  • Chemical System: As-C-F-S
  • Density: 2.5637315223350794
  • Atomic Density: 0.06590289162829022
  • Unit Cell Volume: 849.7350968430163
  • Molar Volume: 9.137900646251566
  • Full Formula: As4 C4 S4 F44
  • Reduced Formula: AsCSF11
  • Formula Anonymous: ABCD11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -274.30948898
  • Final energy per atom: -4.898383731785715
  • 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.