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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208498

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-1208498
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 2
  • Element list: ['Ti', 'Zn']
  • Chemical System: Ti-Zn
  • Density: 6.90284740141328
  • Atomic Density: 0.06566716949536279
  • Unit Cell Volume: 1522.8309788358044
  • Molar Volume: 9.170702508237795
  • Full Formula: Ti12 Zn88
  • Reduced Formula: Ti3Zn22
  • Formula Anonymous: A3B22
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -217.78366282
  • Final energy per atom: -2.1778366281999997
  • 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.