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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197862

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-1197862
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 5
  • Element list: ['Ca', 'Y', 'Si', 'C', 'O']
  • Chemical System: C-Ca-O-Si-Y
  • Density: 3.273523506336282
  • Atomic Density: 0.07721011199849058
  • Unit Cell Volume: 1295.1671408267734
  • Molar Volume: 7.799678829785573
  • Full Formula: Ca8 Y8 Si16 C4 O64
  • Reduced Formula: Ca2Y2Si4CO16
  • Formula Anonymous: AB2C2D4E16
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -821.85253911
  • Final energy per atom: -8.2185253911
  • 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.