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  1. Third-Parties
  2. MatprojStructure
  3. mp-753122

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-753122
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 5
  • Element list: ['Sr', 'Cu', 'H', 'Se', 'O']
  • Chemical System: Cu-H-O-Se-Sr
  • Density: 3.6705106553531124
  • Atomic Density: 0.062005004702741874
  • Unit Cell Volume: 338.682338638245
  • Molar Volume: 9.71234626764523
  • Full Formula: Sr2 Cu1 H2 Se4 O12
  • Reduced Formula: Sr2CuH2(SeO3)4
  • Formula Anonymous: AB2C2D4E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -122.41503892999998
  • Final energy per atom: -5.829287568095237
  • 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.