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  1. Third-Parties
  2. MatprojStructure
  3. mp-769610

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-769610
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Ca', 'Ta', 'O']
  • Chemical System: Ca-O-Ta
  • Density: 6.207780851489616
  • Atomic Density: 0.07706925796425212
  • Unit Cell Volume: 622.8164285980846
  • Molar Volume: 7.813933751371157
  • Full Formula: Ca10 Ta8 O30
  • Reduced Formula: Ca5Ta4O15
  • Formula Anonymous: A4B5C15
  • Spacegroup Number: 165
  • Spacegroup Symbol: P-3c1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -428.27337753
  • Final energy per atom: -8.922362031875
  • 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.