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  1. Third-Parties
  2. MatprojStructure
  3. mp-693759

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-693759
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 105
  • Number of elements: 6
  • Element list: ['Zr', 'Si', 'Bi', 'P', 'Pb', 'O']
  • Chemical System: Bi-O-P-Pb-Si-Zr
  • Density: 3.5110356052441833
  • Atomic Density: 0.06484819594379354
  • Unit Cell Volume: 1619.1660920067475
  • Molar Volume: 9.286520114174994
  • Full Formula: Zr12 Si2 Bi2 P16 Pb1 O72
  • Reduced Formula: Zr12Si2Bi2P16PbO72
  • Formula Anonymous: AB2C2D12E16F72
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -895.6030990600002
  • Final energy per atom: -8.529553324380954
  • 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.