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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234027

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-1234027
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['Ca', 'Ho', 'Cu', 'Si', 'O']
  • Chemical System: Ca-Cu-Ho-O-Si
  • Density: 4.510953824682844
  • Atomic Density: 0.07363752547232504
  • Unit Cell Volume: 271.6006529512801
  • Molar Volume: 8.178086812902592
  • Full Formula: Ca1 Ho2 Cu1 Si4 O12
  • Reduced Formula: CaHo2Cu(SiO3)4
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -158.2852075
  • Final energy per atom: -7.9142603750000005
  • 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.