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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211219

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-1211219
  • 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: 52
  • Number of elements: 3
  • Element list: ['Np', 'Cr', 'O']
  • Chemical System: Cr-Np-O
  • Density: 3.303062494233314
  • Atomic Density: 0.05561192128443958
  • Unit Cell Volume: 935.0513127218604
  • Molar Volume: 10.828866582757351
  • Full Formula: Np4 Cr4 O44
  • Reduced Formula: NpCrO11
  • Formula Anonymous: ABC11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -348.61530233
  • Final energy per atom: -6.704140429423077
  • 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.