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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221174

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-1221174
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Nd', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Nd-O
  • Density: 2.5120957947802482
  • Atomic Density: 0.07897298610195173
  • Unit Cell Volume: 962.3543916889035
  • Molar Volume: 7.62557053651941
  • Full Formula: Nd4 H26 Cl6 O40
  • Reduced Formula: Nd2H13Cl3O20
  • Formula Anonymous: A2B3C13D20
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -413.93124319
  • Final energy per atom: -5.44646372618421
  • 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.