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  1. Third-Parties
  2. MatprojStructure
  3. mp-639335

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-639335
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Mn', 'Sb', 'Se', 'Br']
  • Chemical System: Br-Mn-Sb-Se
  • Density: 4.661742573496187
  • Atomic Density: 0.03386269839301351
  • Unit Cell Volume: 1181.2407722431456
  • Molar Volume: 17.783995504748308
  • Full Formula: Mn8 Sb8 Se16 Br8
  • Reduced Formula: MnSbSe2Br
  • Formula Anonymous: ABCD2
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -200.62130519
  • Final energy per atom: -5.01553262975
  • 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.