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  1. Third-Parties
  2. MatprojStructure
  3. mp-680712

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-680712
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 3
  • Element list: ['Np', 'Se', 'O']
  • Chemical System: Np-O-Se
  • Density: 6.503367329751079
  • Atomic Density: 0.06437733135707668
  • Unit Cell Volume: 2361.079541444698
  • Molar Volume: 9.354442989563305
  • Full Formula: Np24 Se24 O104
  • Reduced Formula: Np3Se3O13
  • Formula Anonymous: A3B3C13
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1270.3335180800002
  • Final energy per atom: -8.357457355789474
  • 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.