Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-642320

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-642320
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 121
  • Number of elements: 4
  • Element list: ['Bi', 'P', 'Pb', 'O']
  • Chemical System: Bi-O-P-Pb
  • Density: 7.877534058806193
  • Atomic Density: 0.06497353336135411
  • Unit Cell Volume: 1862.296749771194
  • Molar Volume: 9.268605920671593
  • Full Formula: Bi32 P10 Pb3 O76
  • Reduced Formula: Bi32P10Pb3O76
  • Formula Anonymous: A3B10C32D76
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -810.74808051
  • Final energy per atom: -6.700397359586777
  • 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.