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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210419

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-1210419
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Np', 'Co', 'H', 'F']
  • Chemical System: Co-F-H-Np
  • Density: 3.7896274750198966
  • Atomic Density: 0.06556329614230148
  • Unit Cell Volume: 640.6023258629544
  • Molar Volume: 9.185231851262143
  • Full Formula: Np4 Co2 H16 F20
  • Reduced Formula: Np2CoH8F10
  • Formula Anonymous: AB2C8D10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -228.86893598
  • Final energy per atom: -5.449260380476191
  • 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.