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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191835

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-1191835
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 25
  • Number of elements: 5
  • Element list: ['Cu', 'H', 'Se', 'N', 'O']
  • Chemical System: Cu-H-N-O-Se
  • Density: 2.426759177904931
  • Atomic Density: 0.08708251598497116
  • Unit Cell Volume: 287.08403423156193
  • Molar Volume: 6.915441856364498
  • Full Formula: Cu1 H10 Se2 N2 O10
  • Reduced Formula: CuH10Se2(NO5)2
  • Formula Anonymous: AB2C2D10E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -133.36814452000002
  • Final energy per atom: -5.3347257808
  • 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.