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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194993

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-1194993
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Cs', 'Li', 'Nd', 'B', 'O']
  • Chemical System: B-Cs-Li-Nd-O
  • Density: 4.548329734668842
  • Atomic Density: 0.061481597112172215
  • Unit Cell Volume: 780.721423232138
  • Molar Volume: 9.795029802190562
  • Full Formula: Cs8 Li4 Nd4 B8 O24
  • Reduced Formula: Cs2LiNd(BO3)2
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -342.00372136
  • Final energy per atom: -7.125077528333333
  • 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.