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  1. Third-Parties
  2. MatprojStructure
  3. mp-558722

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-558722
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['K', 'Np', 'Mo', 'O']
  • Chemical System: K-Mo-Np-O
  • Density: 3.9394365072760182
  • Atomic Density: 0.05375221971989398
  • Unit Cell Volume: 595.3242520356165
  • Molar Volume: 11.203520136250622
  • Full Formula: K6 Np2 Mo4 O20
  • Reduced Formula: K3Np(MoO5)2
  • Formula Anonymous: AB2C3D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -254.05551568
  • Final energy per atom: -7.939234865
  • 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.