Apr 28

MnAlGe ICSD-anchored CIF (P4/nmm, a=3.915, c=5.840)

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Predict Curie temperature from a CIFsuccess
Calculate magnetic anisotropy energysuccess
Calculate magnetic anisotropy energyerror

Relax a crystal structure

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Calculate energy above the convex hull

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Predict Curie temperature from a CIF

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Estimate magnetic moments and Ms from a CIF

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Calculate magnetic anisotropy energy (MAE)

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Predict a crystal property with ALIGNN

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Estimate raw material cost per kg

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Calculate phonon dispersion and band structure

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Expand a crystal structure into a supercell

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Extract crystal structure metadata

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Magnetic anisotropy energy

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Magnetic moments

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Estimate ZT and key thermoelectric properties

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Relax a crystal structure and publish results

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Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)

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Exchange couplings (TB2J)

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Structure relaxation via NequIP-OAM-XL

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Relax a crystal structure with animation

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Crystal-Likeness Score (synthesizability) from CIF

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Predict Seebeck coefficient and band gap

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Create an interstitially doped structure

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DFT structure relaxation

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Calculate magnetic anisotropy energy

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Energy Gate Check

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Simulate an X-ray diffraction pattern

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Analyze a CIF and create a structure report

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Synthesis report from CIF file

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Band structure

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Check phonon stability

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Structure sanity card for a CIF

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Ground-state SCF

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Charge density

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Density of states

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Band gap

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Check whether a CIF is a valid crystal structure

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Generate OLED features from a CIF

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Projected density of states

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Estimate minimum lattice thermal conductivity

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Generate surface slabs

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Generate point-defect candidates

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Size: 1.11 KB
Type: .cif file
Downloads: 1

Cu2Sb-type MnAlGe. P4/nmm #129, Z=2, 6 atoms. a=3.915 Å, c=5.840 Å, c/a=1.492. Ferromagnetic, Tc≈505K, ~1.5 μB/Mn. Strong uniaxial anisotropy. Mn at 2a, Al at 2c (z≈0.25), Ge at 2b.

40

Relax a crystal structure

file.cif→file.cif

Jun 26

6.5k uses

Calculate energy above the convex hull

file.cif→file.html

Jun 30

6.4k uses

Predict Curie temperature from a CIF

file.cif→JSON

Apr 13

6.1k uses

Estimate magnetic moments and Ms from a CIF

file.cif→JSON

Jun 17

4.5k uses

Calculate magnetic anisotropy energy (MAE)

file.cif→JSON

Nov 5

3.3k uses

Predict a crystal property with ALIGNN

file.cif→JSON

Jul 4

2.0k uses

Estimate raw material cost per kg

file.cif→JSON

Jul 22

1.6k uses

Calculate phonon dispersion and band structure

file.cif→file.png

Jul 3

600 uses

Expand a crystal structure into a supercell

file.cif→file.cif

Apr 29

147 uses

Extract crystal structure metadata

file.cif→JSON

Jun 16

125 uses

Magnetic anisotropy energy

file.cif→JSON

Jul 12

102 uses

Magnetic moments

file.cif→JSON

Jul 12

91 uses

Estimate ZT and key thermoelectric properties

file.cif→JSON

Mar 16

88 uses

Relax a crystal structure and publish results

file.cif→post

Aug 13

47 uses

Magnetic moment & Ms for ligand-bridged magnets (oxides, nitrides, M–X–M)

file.cif→JSON

Jul 20

34 uses

Exchange couplings (TB2J)

file.cif→file.json

Jul 13

33 uses

Structure relaxation via NequIP-OAM-XL

file.cif→file.cif

Mar 16

32 uses

Relax a crystal structure with animation

file.cif→file.mp4

Jul 30

29 uses

Crystal-Likeness Score (synthesizability) from CIF

file.cif→JSON

Jul 30

25 uses

Predict Seebeck coefficient and band gap

file.cif→JSON

Mar 16

24 uses

Create an interstitially doped structure

file.cif→file.cif

Jul 30

22 uses

DFT structure relaxation

file.cif→file.cif

Aug 1

19 uses

Calculate magnetic anisotropy energy

file.cif→JSON

Dec 15

15 uses

Energy Gate Check

file.cif→unknown

Jul 27

10 uses

Simulate an X-ray diffraction pattern

file.cif→file.xy

Apr 8

7 uses

Analyze a CIF and create a structure report

file.cif→post

Jul 15

6 uses

Synthesis report from CIF file

file.cif→file.html

Feb 3

5 uses

Band structure

file.cif→file.json

Jul 12

4 uses

Check phonon stability

file.cif→file.png

Mar 16

4 uses

Structure sanity card for a CIF

file.cif→JSON

Aug 8

3 uses

Ground-state SCF

file.cif→file.cubefile.cube

Jul 12

3 uses

Charge density

file.cif→file.cubefile.cube

Jul 12

2 uses

Density of states

file.cif→JSON

Jul 12

2 uses

Band gap

file.cif→JSON

Jul 12

2 uses

Check whether a CIF is a valid crystal structure

file.cif→JSON

Jul 23

Generate OLED features from a CIF

file.cif→dataset

Jul 15

Projected density of states

file.cif→JSON

Jul 13

Estimate minimum lattice thermal conductivity

file.cif→JSON

Mar 16

Generate surface slabs

file.cif→file.zip

May 4

Generate point-defect candidates

file.cif→file.zip

Apr 8

You've seen it all

Connections

6

Derived assets

Referenced by

Cu₂Sb-Type P4/nmm Survey: Mn₂Sb, MnAlGe, MgMnGe, KMnP
Structural survey of four Mn-bearing Cu₂Sb-type compounds for rare-earth-free permanent magnet screening. ICSD-anchored CIFs, lattice parameters, Wyckoff positions, and magnetic properties.

Included in datasets

RE-free permanent magnet candidates: curated dataset for Oliynyk collaboration
Curated dataset of 24 rare-earth-free magnetic intermetallic candidates from Ouro #permanent-magnets screening work. Organized by structural family: FeB-type monoborides (MnB, FeB, CrB, CoB), Cu2Sb-type (Mn2Sb, MnAlGe, MgMnGe, KMnP), MAB phases (Mn2AlB2, Fe2AlB2, Cr2AlB2), C14 Laves (MnFeSi, Fe2Si), calibration anchors (tau-MnAl, MnBi, Mn3Ga, Mn5Ge3, FePt, CoPt), and Jami et al. validation candidates (Fe2P, FeNi, Fe3Ga). Each row includes ML-predicted formation energy, hull distance (bias-corrected where available), magnetic moment, Curie temperature, source analysis post, and CIF file asset reference.

Linked from

Rare-earth-free permanent magnet candidates: curated dataset for Oliynyk synthesizability collaboration
24 RE-free magnetic intermetallic candidates across 6 structural families, with predicted properties, experimental benchmarks, and CIFs. Prepared for Anton Oliynyk's synthesizability ranking engine.

ActionsTools that work with this file

Available for this file

Recent runs

Predict Curie temperature from a CIFsuccess
Calculate magnetic anisotropy energysuccess
Calculate magnetic anisotropy energyerror