Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195119

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-1195119
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 82
  • Number of elements: 5
  • Element list: ['V', 'H', 'Pb', 'Se', 'O']
  • Chemical System: H-O-Pb-Se-V
  • Density: 5.117470563280401
  • Atomic Density: 0.0706154683386798
  • Unit Cell Volume: 1161.2186668042575
  • Molar Volume: 8.528075932481437
  • Full Formula: V12 H4 Pb8 Se6 O52
  • Reduced Formula: V6H2Pb4Se3O26
  • Formula Anonymous: A2B3C4D6E26
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -586.40015061
  • Final energy per atom: -7.151221348902439
  • 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.