Add 28 new-material submissions (measured organizer-equal QE)

#52
Files changed (28) hide show
  1. submissions/WiktorMatuszek_OSC-00441_2AsCrTe3_1.json +10 -0
  2. submissions/WiktorMatuszek_OSC-00559_1Cr3S4_1.json +10 -0
  3. submissions/WiktorMatuszek_OSC-00613_1GaTe2Fe3_1.json +10 -0
  4. submissions/WiktorMatuszek_OSC-00614_1GeTe2Fe3_1.json +10 -0
  5. submissions/WiktorMatuszek_OSC-00659_1In2Mn2Se5_2.json +10 -0
  6. submissions/WiktorMatuszek_OSC-00660_1In2Mn2Se5_3.json +10 -0
  7. submissions/WiktorMatuszek_OSC-00694_1SiTe2Mn3_1.json +10 -0
  8. submissions/WiktorMatuszek_OSC-00857_2VTe2_1.json +10 -0
  9. submissions/WiktorMatuszek_OSC-00955_2IMnO_1.json +10 -0
  10. submissions/WiktorMatuszek_OSC-01457_2AsCrSe3_1.json +10 -0
  11. submissions/WiktorMatuszek_OSC-01487_2CrGeTe3_1.json +10 -0
  12. submissions/WiktorMatuszek_OSC-01868_1FeBr2_2.json +10 -0
  13. submissions/WiktorMatuszek_OSC-02381_2CrGeSe3_1.json +10 -0
  14. submissions/WiktorMatuszek_OSC-02538_1BrIS2V2_1.json +10 -0
  15. submissions/WiktorMatuszek_OSC-02882_2AgNiI3_1.json +10 -0
  16. submissions/WiktorMatuszek_OSC-02899_1CoBr2_1.json +10 -0
  17. submissions/WiktorMatuszek_OSC-02906_2CoBr2_1.json +10 -0
  18. submissions/WiktorMatuszek_OSC-02914_1CoCl2_1.json +10 -0
  19. submissions/WiktorMatuszek_OSC-02915_1CoCl2_2.json +10 -0
  20. submissions/WiktorMatuszek_OSC-03075_1BrCrS_1.json +10 -0
  21. submissions/WiktorMatuszek_OSC-03083_2ClCrSe_1.json +10 -0
  22. submissions/WiktorMatuszek_OSC-03095_1ClCrS_1.json +10 -0
  23. submissions/WiktorMatuszek_OSC-03864_1CoMnBr4_1.json +10 -0
  24. submissions/WiktorMatuszek_OSC-03918_1MnI4_1.json +10 -0
  25. submissions/WiktorMatuszek_OSC-03920_4MnI2_1.json +10 -0
  26. submissions/WiktorMatuszek_OSC-04685_2ClIMn_1.json +10 -0
  27. submissions/WiktorMatuszek_OSC-04686_2ClIMn_2.json +10 -0
  28. submissions/WiktorMatuszek_OSC-04687_2ClIMn_3.json +10 -0
submissions/WiktorMatuszek_OSC-00441_2AsCrTe3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2AsCrTe3-1",
4
+ "osc_id": "OSC-00441",
5
+ "formula": "As2Cr2Te6",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 33.1,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00559_1Cr3S4_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1Cr3S4-1",
4
+ "osc_id": "OSC-00559",
5
+ "formula": "Cr3S4",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 28.0,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00613_1GaTe2Fe3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1GaTe2Fe3-1",
4
+ "osc_id": "OSC-00613",
5
+ "formula": "Fe3GaTe2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 25.9,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00614_1GeTe2Fe3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1GeTe2Fe3-1",
4
+ "osc_id": "OSC-00614",
5
+ "formula": "Fe3GeTe2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 30.2,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00659_1In2Mn2Se5_2.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1In2Mn2Se5-2",
4
+ "osc_id": "OSC-00659",
5
+ "formula": "In2Mn2Se5",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 25.6,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00660_1In2Mn2Se5_3.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1In2Mn2Se5-3",
4
+ "osc_id": "OSC-00660",
5
+ "formula": "In2Mn2Se5",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 30.3,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00694_1SiTe2Mn3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1SiTe2Mn3-1",
4
+ "osc_id": "OSC-00694",
5
+ "formula": "Mn3SiTe2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 31.1,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00857_2VTe2_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2VTe2-1",
4
+ "osc_id": "OSC-00857",
5
+ "formula": "Te4V2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 24.7,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-00955_2IMnO_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2IMnO-1",
4
+ "osc_id": "OSC-00955",
5
+ "formula": "I2Mn2O2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 34.9,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-01457_2AsCrSe3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2AsCrSe3-1",
4
+ "osc_id": "OSC-01457",
5
+ "formula": "As2Cr2Se6",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 27.6,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-01487_2CrGeTe3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2CrGeTe3-1",
4
+ "osc_id": "OSC-01487",
5
+ "formula": "Cr2Ge2Te6",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 33.9,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-01868_1FeBr2_2.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1FeBr2-2",
4
+ "osc_id": "OSC-01868",
5
+ "formula": "Br2Fe",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 45.0,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02381_2CrGeSe3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2CrGeSe3-1",
4
+ "osc_id": "OSC-02381",
5
+ "formula": "Cr2Ge2Se6",
6
+ "methoe_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 31.2,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02538_1BrIS2V2_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1BrIS2V2-1",
4
+ "osc_id": "OSC-02538",
5
+ "formula": "BrIS2V2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 23.1,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02882_2AgNiI3_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2AgNiI3-1",
4
+ "osc_id": "OSC-02882",
5
+ "formula": "Ag2I6Ni2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 22.4,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02899_1CoBr2_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1CoBr2-1",
4
+ "osc_id": "OSC-02899",
5
+ "formula": "Br2Co",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 33.5,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02906_2CoBr2_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2CoBr2-1",
4
+ "osc_id": "OSC-02906",
5
+ "formula": "Br4Co2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 26.5,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02914_1CoCl2_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1CoCl2-1",
4
+ "osc_id": "OSC-02914",
5
+ "formula": "Cl2Co",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 25.3,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-02915_1CoCl2_2.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1CoCl2-2",
4
+ "osc_id": "OSC-02915",
5
+ "formula": "Cl2Co",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 42.3,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-03075_1BrCrS_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1BrCrS-1",
4
+ "osc_id": "OSC-03075",
5
+ "formula": "BrCrS",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 30.3,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-03083_2ClCrSe_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2ClCrSe-1",
4
+ "osc_id": "OSC-03083",
5
+ "formula": "Cl2Cr2Se2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 30.9,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-03095_1ClCrS_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1ClCrS-1",
4
+ "osc_id": "OSC-03095",
5
+ "formula": "ClCrS",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 32.1,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-03864_1CoMnBr4_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1CoMnBr4-1",
4
+ "osc_id": "OSC-03864",
5
+ "formula": "Br4CoMn",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 35.5,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-03918_1MnI4_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "1MnI4-1",
4
+ "osc_id": "OSC-03918",
5
+ "formula": "I4Mn",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 30.3,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-03920_4MnI2_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "4MnI2-1",
4
+ "osc_id": "OSC-03920",
5
+ "formula": "I8Mn4",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 38.8,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-04685_2ClIMn_1.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2ClIMn-1",
4
+ "osc_id": "OSC-04685",
5
+ "formula": "Cl2I2Mn2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 34.8,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-04686_2ClIMn_2.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2ClIMn-2",
4
+ "osc_id": "OSC-04686",
5
+ "formula": "Cl2I2Mn2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 34.6,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }
submissions/WiktorMatuszek_OSC-04687_2ClIMn_3.json ADDED
@@ -0,0 +1,10 @@
 
 
 
 
 
 
 
 
 
 
 
1
+ {
2
+ "author": "WiktorMatuszek",
3
+ "material_id": "2ClIMn-3",
4
+ "osc_id": "OSC-04687",
5
+ "formula": "Cl2I2Mn2",
6
+ "method_name": "QE PBE SCF (4x4x1 k, pslibrary PAW) + OSC downfold.py",
7
+ "provisional_score": 34.7,
8
+ "track": "open",
9
+ "note": "New material outside the active set; score under present downfold.py."
10
+ }