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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189765

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-1189765
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Zr', 'In', 'Cu']
  • Chemical System: Cu-In-Zr
  • Density: 7.097770426485773
  • Atomic Density: 0.04451857999434163
  • Unit Cell Volume: 404.32556479312285
  • Molar Volume: 13.527252578059366
  • Full Formula: Zr10 In6 Cu2
  • Reduced Formula: Zr5In3Cu
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -114.37594663000002
  • Final energy per atom: -6.354219257222223
  • 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.