Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1216150

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-1216150
  • 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: 40
  • Number of elements: 5
  • Element list: ['Y', 'Fe', 'Bi', 'B', 'O']
  • Chemical System: B-Bi-Fe-O-Y
  • Density: 4.428581600194498
  • Atomic Density: 0.09667870330944459
  • Unit Cell Volume: 413.74158558964024
  • Molar Volume: 6.229025166716003
  • Full Formula: Y1 Fe6 Bi1 B8 O24
  • Reduced Formula: YFe6Bi(BO3)8
  • Formula Anonymous: ABC6D8E24
  • Spacegroup Number: 3
  • Spacegroup Symbol: P121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -330.34667077
  • Final energy per atom: -8.25866676925
  • 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.