Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217945

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-1217945
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ta', 'In', 'Bi', 'O']
  • Chemical System: Bi-In-O-Ta
  • Density: 8.75728291305537
  • Atomic Density: 0.0702552623193279
  • Unit Cell Volume: 313.1438026664031
  • Molar Volume: 8.57180026263065
  • Full Formula: Ta2 In2 Bi4 O14
  • Reduced Formula: TaInBi2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -163.99460883999998
  • Final energy per atom: -7.454300401818181
  • 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.