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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185821

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-1185821
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Mg', 'Ni', 'H']
  • Chemical System: H-Mg-Ni
  • Density: 2.7456131548318234
  • Atomic Density: 0.1039575299270528
  • Unit Cell Volume: 538.6815177245487
  • Molar Volume: 5.792885579549406
  • Full Formula: Mg16 Ni8 H32
  • Reduced Formula: Mg2NiH4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -199.31289767
  • Final energy per atom: -3.559158886964286
  • 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.