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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227067

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-1227067
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['Ca', 'Nd', 'Cr', 'O']
  • Chemical System: Ca-Cr-Nd-O
  • Density: 5.515098082190865
  • Atomic Density: 0.07741534228157398
  • Unit Cell Volume: 90.42135310258914
  • Molar Volume: 7.779001658477921
  • Full Formula: Ca1 Nd1 Cr1 O4
  • Reduced Formula: CaNdCrO4
  • Formula Anonymous: ABCD4
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -58.10328908999999
  • Final energy per atom: -8.300469869999999
  • 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.