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  1. Third-Parties
  2. MatprojStructure
  3. mp-1384645

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-1384645
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ca', 'V', 'N']
  • Chemical System: Ca-N-V
  • Density: 2.869171741598472
  • Atomic Density: 0.058144849640237195
  • Unit Cell Volume: 223.57956173995822
  • Molar Volume: 10.35713532197799
  • Full Formula: Ca5 V2 N6
  • Reduced Formula: Ca5(VN3)2
  • Formula Anonymous: A2B5C6
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -91.31169775
  • Final energy per atom: -7.023976749999999
  • 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.