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  1. Third-Parties
  2. MatprojStructure
  3. mp-7007

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-7007
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 2
  • Element list: ['Nb', 'Se']
  • Chemical System: Nb-Se
  • Density: 3.210813752621154
  • Atomic Density: 0.023126721016079543
  • Unit Cell Volume: 129.72007566114368
  • Molar Volume: 26.03975183430858
  • Full Formula: Nb1 Se2
  • Reduced Formula: NbSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 42
  • Spacegroup Symbol: Fmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -20.55562513
  • Final energy per atom: -6.851875043333333
  • 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.