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  1. Third-Parties
  2. MatprojStructure
  3. mp-698125

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-698125
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 6
  • Element list: ['Np', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-N-Np-O
  • Density: 2.385711074398535
  • Atomic Density: 0.09495886827707724
  • Unit Cell Volume: 758.2230212549887
  • Molar Volume: 6.34184133537502
  • Full Formula: Np2 H32 C8 N16 Cl2 O12
  • Reduced Formula: NpH16C4N8ClO6
  • Formula Anonymous: ABC4D6E8F16
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -475.02364871
  • Final energy per atom: -6.597550676527778
  • 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.