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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234100

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-1234100
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Ca', 'Y', 'Mo', 'O']
  • Chemical System: Ca-Mo-O-Y
  • Density: 4.839387742704614
  • Atomic Density: 0.06711374472875274
  • Unit Cell Volume: 298.00155066346105
  • Molar Volume: 8.973036423968168
  • Full Formula: Ca1 Y5 Mo2 O12
  • Reduced Formula: CaY5(MoO6)2
  • Formula Anonymous: AB2C5D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -178.87330167
  • Final energy per atom: -8.9436650835
  • 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.