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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182644

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-1182644
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Np', 'Co', 'S', 'N', 'O']
  • Chemical System: Co-N-Np-O-S
  • Density: 2.895358351062558
  • Atomic Density: 0.060304970387198745
  • Unit Cell Volume: 1459.2495350711627
  • Molar Volume: 9.98614330018534
  • Full Formula: Np4 Co4 S8 N24 O48
  • Reduced Formula: NpCoS2(NO2)6
  • Formula Anonymous: ABC2D6E12
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -575.4978854799999
  • Final energy per atom: -6.539748698636362
  • 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.