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  1. Third-Parties
  2. MatprojStructure
  3. mp-561023

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-561023
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Th', 'Cd', 'Mo', 'O']
  • Chemical System: Cd-Mo-O-Th
  • Density: 4.858660116456483
  • Atomic Density: 0.06034636824260883
  • Unit Cell Volume: 563.4141869699721
  • Molar Volume: 9.979292765041558
  • Full Formula: Th2 Cd2 Mo6 O24
  • Reduced Formula: ThCd(MoO4)3
  • Formula Anonymous: ABC3D12
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -280.95339824
  • Final energy per atom: -8.263335242352941
  • 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.