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  1. Third-Parties
  2. MatprojStructure
  3. mp-698317

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-698317
  • 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: 128
  • Number of elements: 4
  • Element list: ['Nd', 'H', 'C', 'O']
  • Chemical System: C-H-Nd-O
  • Density: 2.9053914622714205
  • Atomic Density: 0.08964004850830645
  • Unit Cell Volume: 1427.933185334443
  • Molar Volume: 6.718136435905612
  • Full Formula: Nd8 H32 C24 O64
  • Reduced Formula: NdH4C3O8
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -920.48077811
  • Final energy per atom: -7.191256078984375
  • 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.