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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214510

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-1214510
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Ca', 'Y', 'Si', 'C', 'O']
  • Chemical System: C-Ca-O-Si-Y
  • Density: 2.7321707708628016
  • Atomic Density: 0.07224581532865948
  • Unit Cell Volume: 941.23098605304
  • Molar Volume: 8.335625714242653
  • Full Formula: Ca4 Y4 Si8 C6 O46
  • Reduced Formula: Ca2Y2Si4C3O23
  • Formula Anonymous: A2B2C3D4E23
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -526.06560362
  • Final energy per atom: -7.7362588767647065
  • 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.