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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236302

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-1236302
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 6
  • Element list: ['Li', 'Bi', 'Pb', 'W', 'Cl', 'O']
  • Chemical System: Bi-Cl-Li-O-Pb-W
  • Density: 8.301570710605368
  • Atomic Density: 0.0631030872600437
  • Unit Cell Volume: 237.7062779541353
  • Molar Volume: 9.543337769169918
  • Full Formula: Li1 Bi3 Pb1 W1 Cl1 O8
  • Reduced Formula: LiBi3PbWClO8
  • Formula Anonymous: ABCDE3F8
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -97.26964186
  • Final energy per atom: -6.484642790666666
  • 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.