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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218664

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-1218664
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'Al', 'H', 'C', 'O']
  • Chemical System: Al-C-Ca-H-O-Sr
  • Density: 2.660028906082054
  • Atomic Density: 0.10496172534740908
  • Unit Cell Volume: 838.4008523938791
  • Molar Volume: 5.737463575477184
  • Full Formula: Sr3 Ca1 Al8 H24 C8 O44
  • Reduced Formula: Sr3CaAl8H24(C2O11)4
  • Formula Anonymous: AB3C8D8E24F44
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -600.7789672499999
  • Final energy per atom: -6.827033718749999
  • 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.