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  1. Third-Parties
  2. MatprojStructure
  3. mp-600520

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-600520
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 5
  • Element list: ['Sr', 'Cu', 'H', 'C', 'O']
  • Chemical System: C-Cu-H-O-Sr
  • Density: 2.2640702410872717
  • Atomic Density: 0.07409281364041036
  • Unit Cell Volume: 485.87708080187593
  • Molar Volume: 8.12783381290775
  • Full Formula: Sr2 Cu2 H8 C8 O16
  • Reduced Formula: SrCuH4(CO2)4
  • Formula Anonymous: ABC4D4E8
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -219.36925342
  • Final energy per atom: -6.093590372777778
  • 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.