Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1217948

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-1217948
  • 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: 36
  • Number of elements: 4
  • Element list: ['Ta', 'Mn', 'Nb', 'O']
  • Chemical System: Mn-Nb-O-Ta
  • Density: 6.402688447472899
  • Atomic Density: 0.08169261934068893
  • Unit Cell Volume: 440.6762849635959
  • Molar Volume: 7.3717072712351275
  • Full Formula: Ta4 Mn4 Nb4 O24
  • Reduced Formula: TaMnNbO6
  • Formula Anonymous: ABCD6
  • Spacegroup Number: 18
  • Spacegroup Symbol: P2_12_12
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -350.71512334000005
  • Final energy per atom: -9.742086759444446
  • 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.