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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210672

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-1210672
  • 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: 78
  • Number of elements: 4
  • Element list: ['Nd', 'H', 'C', 'O']
  • Chemical System: C-H-Nd-O
  • Density: 1.7002713499711475
  • Atomic Density: 0.06261978832381389
  • Unit Cell Volume: 1245.6126423911453
  • Molar Volume: 9.616993160147462
  • Full Formula: Nd4 H26 C24 O24
  • Reduced Formula: Nd2H13(CO)12
  • Formula Anonymous: A2B12C12D13
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -472.66383467
  • Final energy per atom: -6.059792752179487
  • 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.