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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246122

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-1246122
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['V', 'Pb', 'N']
  • Chemical System: N-Pb-V
  • Density: 6.047321666063433
  • Atomic Density: 0.06982139513820734
  • Unit Cell Volume: 1203.0696297850673
  • Molar Volume: 8.62506506505567
  • Full Formula: V24 Pb12 N48
  • Reduced Formula: V2PbN4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -707.22161934
  • Final energy per atom: -8.419304992142857
  • 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.