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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103879

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-1103879
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ca', 'Ni', 'H']
  • Chemical System: Ca-H-Ni
  • Density: 6.520368704846029
  • Atomic Density: 0.07640579105756079
  • Unit Cell Volume: 170.1441712736979
  • Molar Volume: 7.881785760798134
  • Full Formula: Ca2 Ni10 H1
  • Reduced Formula: Ca2Ni10H
  • Formula Anonymous: AB2C10
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -66.6251331
  • Final energy per atom: -5.125010238461538
  • 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.