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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222560

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-1222560
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'As']
  • Chemical System: As-Li-Ni
  • Density: 7.005290117793995
  • Atomic Density: 0.07439100816893664
  • Unit Cell Volume: 282.29218176893784
  • Molar Volume: 8.09525359076214
  • Full Formula: Li3 Ni11 As7
  • Reduced Formula: Li3Ni11As7
  • Formula Anonymous: A3B7C11
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -110.35176208
  • Final energy per atom: -5.254845813333334
  • 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.