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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223533

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-1223533
  • 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: 43
  • Number of elements: 4
  • Element list: ['La', 'Zr', 'Ni', 'As']
  • Chemical System: As-La-Ni-Zr
  • Density: 7.652119736435554
  • Atomic Density: 0.058894233751087224
  • Unit Cell Volume: 730.122412012979
  • Molar Volume: 10.225348691099708
  • Full Formula: La4 Zr8 Ni15 As16
  • Reduced Formula: La4Zr8Ni15As16
  • Formula Anonymous: A4B8C15D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -288.80194699
  • Final energy per atom: -6.71632434860465
  • 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.