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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201225

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-1201225
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Np', 'Cr', 'N', 'O']
  • Chemical System: Cr-N-Np-O
  • Density: 3.2358729823962116
  • Atomic Density: 0.05171647773873199
  • Unit Cell Volume: 966.8098483542612
  • Molar Volume: 11.644529989887232
  • Full Formula: Np4 Cr6 N8 O32
  • Reduced Formula: Np2Cr3(NO4)4
  • Formula Anonymous: A2B3C4D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -382.37130839
  • Final energy per atom: -7.647426167800001
  • 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.