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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193289

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-1193289
  • 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: 30
  • Number of elements: 5
  • Element list: ['As', 'H', 'S', 'N', 'F']
  • Chemical System: As-F-H-N-S
  • Density: 2.570871985465349
  • Atomic Density: 0.07419723040717241
  • Unit Cell Volume: 404.3277604213647
  • Molar Volume: 8.116395621443385
  • Full Formula: As2 H4 S2 N2 F20
  • Reduced Formula: AsH2SNF10
  • Formula Anonymous: ABCD2E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -142.39746504
  • Final energy per atom: -4.746582168
  • 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.