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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233335

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-1233335
  • 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: 15
  • Number of elements: 6
  • Element list: ['Ca', 'Bi', 'Pb', 'W', 'Cl', 'O']
  • Chemical System: Bi-Ca-Cl-O-Pb-W
  • Density: 7.081403974359435
  • Atomic Density: 0.052367932679024155
  • Unit Cell Volume: 286.43483201711746
  • Molar Volume: 11.49967251316024
  • Full Formula: Ca1 Bi3 Pb1 W1 Cl1 O8
  • Reduced Formula: CaBi3PbWClO8
  • Formula Anonymous: ABCDE3F8
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -97.24631355
  • Final energy per atom: -6.4830875699999995
  • 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.