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  1. Third-Parties
  2. MatprojStructure
  3. mp-7524

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-7524
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'Se']
  • Chemical System: Nb-P-Se
  • Density: 6.322763655336428
  • Atomic Density: 0.056315144077063214
  • Unit Cell Volume: 106.54327709415841
  • Molar Volume: 10.693643528211764
  • Full Formula: Nb2 P2 Se2
  • Reduced Formula: NbPSe
  • Formula Anonymous: ABC
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -43.15250907
  • Final energy per atom: -7.192084845
  • 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.