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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227387

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-1227387
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ca', 'Er', 'Te']
  • Chemical System: Ca-Er-Te
  • Density: 6.044838437010414
  • Atomic Density: 0.02879335902783811
  • Unit Cell Volume: 243.1116144952811
  • Molar Volume: 20.915033755449127
  • Full Formula: Ca1 Er2 Te4
  • Reduced Formula: Ca(ErTe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -35.56518796
  • Final energy per atom: -5.080741137142858
  • 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.