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  1. Third-Parties
  2. MatprojStructure
  3. mp-729018

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-729018
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 5
  • Element list: ['V', 'Cu', 'H', 'N', 'O']
  • Chemical System: Cu-H-N-O-V
  • Density: 2.6222983572710947
  • Atomic Density: 0.09085406662662106
  • Unit Cell Volume: 374.22650699531476
  • Molar Volume: 6.628366768379148
  • Full Formula: V4 Cu2 H12 N4 O12
  • Reduced Formula: V2CuH6(NO3)2
  • Formula Anonymous: AB2C2D6E6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -222.69801491
  • Final energy per atom: -6.549941615000001
  • 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.