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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202280

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-1202280
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Nb', 'H', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-Nb-O
  • Density: 2.029935306980644
  • Atomic Density: 0.07116615409586592
  • Unit Cell Volume: 1124.1298762925176
  • Molar Volume: 8.46208543444366
  • Full Formula: Nb6 H40 C10 Cl14 O10
  • Reduced Formula: Nb3H20C5Cl7O5
  • Formula Anonymous: A3B5C5D7E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -434.59270749
  • Final energy per atom: -5.432408843625
  • 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.