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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217853

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-1217853
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 6
  • Element list: ['Sr', 'Zr', 'Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-O-Sr-Zr
  • Density: 2.177261082828681
  • Atomic Density: 0.07192791175204734
  • Unit Cell Volume: 570.0151582508995
  • Molar Volume: 8.372467117855102
  • Full Formula: Sr1 Zr1 Cd1 H8 C8 O22
  • Reduced Formula: SrZrCdH8(C4O11)2
  • Formula Anonymous: ABCD8E8F22
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -285.11959576
  • Final energy per atom: -6.9541364819512195
  • 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.