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  1. Third-Parties
  2. MatprojStructure
  3. mp-1101884

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-1101884
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 2
  • Element list: ['Ca', 'Ni']
  • Chemical System: Ca-Ni
  • Density: 6.722252162972425
  • Atomic Density: 0.07282198581353205
  • Unit Cell Volume: 164.7853991612807
  • Molar Volume: 8.269673907850153
  • Full Formula: Ca2 Ni10
  • Reduced Formula: CaNi5
  • Formula Anonymous: AB5
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -63.11487405
  • Final energy per atom: -5.2595728374999995
  • 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.