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  1. Third-Parties
  2. MatprojStructure
  3. mp-1028272

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-1028272
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Mg', 'Ti', 'Sn']
  • Chemical System: Mg-Sn-Ti
  • Density: 2.3465642805970393
  • Atomic Density: 0.04460940806208421
  • Unit Cell Volume: 358.66873592521864
  • Molar Volume: 13.499710087205846
  • Full Formula: Mg14 Ti1 Sn1
  • Reduced Formula: Mg14TiSn
  • Formula Anonymous: ABC14
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -34.07315944
  • Final energy per atom: -2.129572465
  • 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.