Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-720713

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-720713
  • 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: 50
  • Number of elements: 5
  • Element list: ['V', 'P', 'H', 'Pb', 'O']
  • Chemical System: H-O-P-Pb-V
  • Density: 3.6483815134351385
  • Atomic Density: 0.09138318188502725
  • Unit Cell Volume: 547.1466299226366
  • Molar Volume: 6.589988043507492
  • Full Formula: V4 P4 H12 Pb2 O28
  • Reduced Formula: V2P2H6PbO14
  • Formula Anonymous: AB2C2D6E14
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -340.89304269
  • Final energy per atom: -6.8178608538
  • 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.