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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220794

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-1220794
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Nd', 'Ti', 'Bi', 'O']
  • Chemical System: Bi-Nd-O-Ti
  • Density: 7.494486023922715
  • Atomic Density: 0.07636273099051054
  • Unit Cell Volume: 995.249894997134
  • Molar Volume: 7.8862302092736325
  • Full Formula: Nd3 Ti12 Bi13 O48
  • Reduced Formula: Nd3Ti12Bi13O48
  • Formula Anonymous: A3B12C13D48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -608.13788834
  • Final energy per atom: -8.001814320263158
  • 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.