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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185746

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-1185746
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Mg', 'Np', 'Al']
  • Chemical System: Al-Mg-Np
  • Density: 2.724975001319927
  • Atomic Density: 0.05011225891657205
  • Unit Cell Volume: 578.7007136972176
  • Molar Volume: 12.017300537231396
  • Full Formula: Mg16 Np1 Al12
  • Reduced Formula: Mg16NpAl12
  • Formula Anonymous: AB12C16
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -83.31366943
  • Final energy per atom: -2.872885152758621
  • 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.