Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1189636

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-1189636
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Nd', 'Mg', 'Ni', 'H']
  • Chemical System: H-Mg-Nd-Ni
  • Density: 6.680012531197696
  • Atomic Density: 0.09875473841697724
  • Unit Cell Volume: 202.52192776363768
  • Molar Volume: 6.09807777989589
  • Full Formula: Nd2 Mg2 Ni8 H8
  • Reduced Formula: NdMg(NiH)4
  • Formula Anonymous: ABC4D4
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -93.15458035999998
  • Final energy per atom: -4.6577290179999995
  • 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.