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  1. Third-Parties
  2. MatprojStructure
  3. mp-729033

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-729033
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 6
  • Element list: ['Mn', 'Cu', 'H', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Cu-H-Mn-O-Se
  • Density: 2.750794057593741
  • Atomic Density: 0.0832472315731847
  • Unit Cell Volume: 1249.2907936352337
  • Molar Volume: 7.234043278311048
  • Full Formula: Mn4 Cu4 H40 Se8 Cl8 O40
  • Reduced Formula: MnCuH10Se2(ClO5)2
  • Formula Anonymous: ABC2D2E10F10
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -560.99708649
  • Final energy per atom: -5.3942027547115385
  • 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.