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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214430

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-1214430
  • 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: 96
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'C', 'O']
  • Chemical System: C-Ca-O-Y
  • Density: 2.787880407552264
  • Atomic Density: 0.07169671753391636
  • Unit Cell Volume: 1338.9734328435175
  • Molar Volume: 8.399465090087572
  • Full Formula: Ca8 Y8 C16 O64
  • Reduced Formula: CaY(CO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -721.1133688
  • Final energy per atom: -7.511597591666667
  • 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.