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  1. Third-Parties
  2. MatprojStructure
  3. mp-1027837

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-1027837
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Mg', 'Zr', 'Mo']
  • Chemical System: Mg-Mo-Zr
  • Density: 2.5100803339788116
  • Atomic Density: 0.04585538920995462
  • Unit Cell Volume: 348.9230006693871
  • Molar Volume: 13.132896402703896
  • Full Formula: Mg14 Zr1 Mo1
  • Reduced Formula: Mg14ZrMo
  • Formula Anonymous: ABC14
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -39.43287765
  • Final energy per atom: -2.464554853125
  • 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.