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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214610

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-1214610
  • 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: 13
  • Number of elements: 2
  • Element list: ['Ca', 'C']
  • Chemical System: C-Ca
  • Density: 0.4256641486686691
  • Atomic Density: 0.018090751715740587
  • Unit Cell Volume: 718.5992160120592
  • Molar Volume: 33.28850483730974
  • Full Formula: Ca1 C12
  • Reduced Formula: CaC12
  • Formula Anonymous: AB12
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -72.20133207
  • Final energy per atom: -5.553948620769232
  • 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.