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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200903

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-1200903
  • 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: 36
  • Number of elements: 3
  • Element list: ['Y', 'C', 'O']
  • Chemical System: C-O-Y
  • Density: 2.4284449246119317
  • Atomic Density: 0.06299905947496648
  • Unit Cell Volume: 571.4371023952363
  • Molar Volume: 9.559096294751793
  • Full Formula: Y4 C8 O24
  • Reduced Formula: Y(CO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -290.27131303
  • Final energy per atom: -8.063092028611111
  • 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.