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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207981

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-1207981
  • 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: 32
  • Number of elements: 3
  • Element list: ['Y', 'Bi', 'C']
  • Chemical System: Bi-C-Y
  • Density: 9.123980352603546
  • Atomic Density: 0.042357519744379755
  • Unit Cell Volume: 755.4738849940794
  • Molar Volume: 14.217406487307494
  • Full Formula: Y8 Bi16 C8
  • Reduced Formula: YBi2C
  • Formula Anonymous: ABC2
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -163.05219823
  • Final energy per atom: -5.0953811946875
  • 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.