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  1. Third-Parties
  2. MatprojStructure
  3. mp-694933

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-694933
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 5
  • Element list: ['Mg', 'Ti', 'Pb', 'W', 'O']
  • Chemical System: Mg-O-Pb-Ti-W
  • Density: 8.409492649673915
  • Atomic Density: 0.07778152808780361
  • Unit Cell Volume: 642.8261468912972
  • Molar Volume: 7.742379081575656
  • Full Formula: Mg2 Ti6 Pb10 W2 O30
  • Reduced Formula: MgTi3Pb5WO15
  • Formula Anonymous: ABC3D5E15
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -385.14787454
  • Final energy per atom: -7.702957490799999
  • 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.