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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205162

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-1205162
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 6
  • Element list: ['Np', 'Cr', 'H', 'C', 'N', 'O']
  • Chemical System: C-Cr-H-N-Np-O
  • Density: 3.0843353759790384
  • Atomic Density: 0.08825590530001032
  • Unit Cell Volume: 1087.7459097344818
  • Molar Volume: 6.823498937015941
  • Full Formula: Np4 Cr4 H32 C8 N16 O32
  • Reduced Formula: NpCrH8C2(NO2)4
  • Formula Anonymous: ABC2D4E8F8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -688.76032988
  • Final energy per atom: -7.174586769583333
  • 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.