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  1. Third-Parties
  2. MatprojStructure
  3. mp-738618

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-738618
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['Nd', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Nd
  • Density: 1.503857601123044
  • Atomic Density: 0.08164905456147782
  • Unit Cell Volume: 1273.7440814050453
  • Molar Volume: 7.375640529267387
  • Full Formula: Nd2 H64 C16 N8 Cl14
  • Reduced Formula: NdH32C8N4Cl7
  • Formula Anonymous: AB4C7D8E32
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -528.50728802
  • Final energy per atom: -5.081800846346154
  • 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.