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  1. Third-Parties
  2. MatprojStructure
  3. mp-7581

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-7581
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Mo', 'Se']
  • Chemical System: Mo-Se
  • Density: 5.969894301300954
  • Atomic Density: 0.042485870736445615
  • Unit Cell Volume: 70.61171038743741
  • Molar Volume: 14.174455308583408
  • Full Formula: Mo1 Se2
  • Reduced Formula: MoSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -20.80018392
  • Final energy per atom: -6.9333946399999995
  • 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.