Datasets:
fgh123654
/
materials-energy-stability-agent-dev

Dataset card Data Studio Files
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mp-1002069
NaLiICl
Cl-I-Li-Na
validation
4
-1.717307
0.093637
false
104.054089
[["Cl",0.25],["I",0.25],["Li",0.25],["Na",0.25]]
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mp-1002164
GeC
C-Ge
train
2
0.438373
0.438373
false
24.399984
[["C",0.5],["Ge",0.5]]
2
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mp-10060
DyBPd3
B-Dy-Pd
validation
5
-0.625182
0.112934
false
80.597552
[["B",0.2],["Dy",0.2],["Pd",0.6]]
3
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0.922779
16.11951
0.817382
mp-1006146
Eu(MgBi)2
Bi-Eu-Mg
train
5
-0.575261
0
true
159.890508
[["Bi",0.4],["Eu",0.2],["Mg",0.4]]
3
1.05492
0.4
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mp-1006258
ErPu3
Er-Pu
train
8
0.188007
0.188007
false
223.094968
[["Er",0.25],["Pu",0.75]]
2
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0.75
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mp-1008
NiHg
Hg-Ni
train
2
0.218531
0.218531
false
31.326
[["Hg",0.5],["Ni",0.5]]
2
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0.5
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1.066414
15.663
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mp-1008226
CrFe2Sn
Cr-Fe-Sn
validation
4
0.254346
0.255709
false
54.151071
[["Cr",0.25],["Fe",0.5],["Sn",0.25]]
3
1.039721
0.5
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2.600497
0.925444
13.537768
0.858458
mp-1008755
SrB2
B-Sr
train
3
0.182245
0.532542
false
42.097222
[["B",0.6666666667],["Sr",0.3333333333]]
2
0.636514
0.666667
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0
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0.851511
14.032407
0.855752
mp-1008858
NdBiPd
Bi-Nd-Pd
train
3
-0.9626
0
true
80.95849
[["Bi",0.3333333333],["Nd",0.3333333333],["Pd",0.3333333333]]
3
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mp-1009544
CsRbP
Cs-P-Rb
train
3
-0.00821
0.247674
false
144.446082
[["Cs",0.3333333333],["P",0.3333333333],["Rb",0.3333333333]]
3
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mp-1009822
SnC
C-Sn
validation
2
1.295525
1.295525
false
27.477418
[["C",0.5],["Sn",0.5]]
2
0.693147
0.5
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0.468712
mp-1013713
Ba3BiP
Ba-Bi-P
train
5
-0.161208
0.795239
false
282.686086
[["Ba",0.6],["Bi",0.2],["P",0.2]]
3
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0
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0.903993
56.537217
0.507984
mp-1013733
Ca3BiSb
Bi-Ca-Sb
train
5
-0.655635
0.301855
false
196.122941
[["Bi",0.2],["Ca",0.6],["Sb",0.2]]
3
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0
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mp-1016422
CsMg6B
B-Cs-Mg
train
16
0.374259
0.398701
false
417.784031
[["B",0.125],["Cs",0.125],["Mg",0.75]]
3
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0
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mp-1016442
SrMg6Ga
Ga-Mg-Sr
train
8
-0.010955
0.116848
false
207.34094
[["Ga",0.125],["Mg",0.75],["Sr",0.125]]
3
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0
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mp-1016650
BaMg6Nb
Ba-Mg-Nb
train
8
0.215132
0.27037
false
205.830644
[["Ba",0.125],["Mg",0.75],["Nb",0.125]]
3
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mp-1016999
SrGeO3
Ge-O-Sr
train
5
-2.594421
0.150044
false
57.369985
[["Ge",0.2],["O",0.6],["Sr",0.2]]
3
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0.2
0
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mp-1017109
CsMg6Nb
Cs-Mg-Nb
validation
8
0.403433
0.415854
false
214.146533
[["Cs",0.125],["Mg",0.75],["Nb",0.125]]
3
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0.75
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0
0
0
0
0
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0.125
2.954523
0.850449
26.768317
0.699422
mp-1017241
Mg6GaB
B-Ga-Mg
train
8
0.172444
0.263221
false
155.801952
[["B",0.125],["Ga",0.125],["Mg",0.75]]
3
0.735622
0.75
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2.04
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13.5
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0
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1.027931
19.475244
0.516948
mp-1017330
Mg6SiBi
Bi-Mg-Si
train
16
0.021073
0.144715
false
368.943083
[["Bi",0.125],["Mg",0.75],["Si",0.125]]
3
0.735622
0.75
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1.31
2.02
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21.125
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0
0
0
0
0
0
0
0.75
0
2.797134
1.04909
23.058943
0.486582
mp-1017340
NaMg6C
C-Mg-Na
train
16
0.40676
0.424711
false
369.833362
[["C",0.125],["Mg",0.75],["Na",0.125]]
3
0.735622
0.75
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0
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0
0
0
0.875
0
2.286072
0.917999
23.114585
0.493427
mp-1017488
RbLaMg6
La-Mg-Rb
train
16
0.217227
0.291117
false
473.429838
[["La",0.125],["Mg",0.75],["Rb",0.125]]
3
0.735622
0.75
1.2225
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0.82
1.31
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0
0
0
0
0
0
0
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0
3.114486
0.838854
29.589365
0.643003
mp-1017556
CuNi3N
Cu-N-Ni
train
5
-0.082179
0
true
51.890484
[["Cu",0.2],["N",0.2],["Ni",0.6]]
3
0.950271
0.6
2.134
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1.9
3.04
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0
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0
0
0
0
0.8
1.864945
0.956382
10.378097
0.676283
mp-1017578
HfBRh3
B-Hf-Rh
train
5
-0.777059
0
true
70.780646
[["B",0.2],["Hf",0.2],["Rh",0.6]]
3
0.950271
0.6
2.036
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1.3
2.28
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0.180805
42.4
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0
0.2
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0
0
0
0
0
0
0
0.8
2.068275
0.915166
14.156129
0.86059
mp-1017630
Mg2ZnAs2
As-Mg-Zn
train
5
-0.303757
0.169402
false
105.12967
[["As",0.4],["Mg",0.4],["Zn",0.2]]
3
1.05492
0.4
1.726
0.390927
1.31
2.18
0.87
1.33
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0.117928
24
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0
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0
0
0
0
0
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0.2
2.623528
1.009049
21.025934
0.430021
mp-1018020
NiAgSe2
Ag-Ni-Se
train
4
-0.375382
0.065309
false
79.46383
[["Ag",0.25],["Ni",0.25],["Se",0.5]]
3
1.039721
0.5
2.235
0.315079
1.91
2.55
0.64
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0.14094
35.75
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0
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0
0
0
0
0
0.5
0
0.5
2.424336
0.966686
19.865957
0.443384
mp-1018082
CrCo2Sb
Co-Cr-Sb
train
4
-0.008399
0.120381
false
54.268717
[["Co",0.5],["Cr",0.25],["Sb",0.25]]
3
1.039721
0.5
1.8675
0.138451
1.66
2.05
0.39
1.3875
0.041458
0.02988
32.25
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0
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0
0
0
0
0
0
0
0.75
2.602379
0.939487
13.567179
0.820286
mp-1018085
CoSnRh2
Co-Rh-Sn
train
4
-0.212139
0.059842
false
59.780639
[["Co",0.25],["Rh",0.5],["Sn",0.25]]
3
1.039721
0.5
2.1
0.182209
1.88
2.28
0.4
1.375
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0.031492
41.75
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0
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0
0
0
0
0
0
0
0.75
2.716712
0.966802
14.94516
0.773584
mp-1018146
GdCoC2
C-Co-Gd
validation
4
-0.319672
0
true
49.48219
[["C",0.5],["Co",0.25],["Gd",0.25]]
3
1.039721
0.5
2.045
0.559308
1.2
2.55
1.35
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0.465531
0.409258
25.75
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0
0
0
0
0
0
0
0
0.25
1.377598
0.883752
12.370547
0.925729
mp-1018628
ScPt3C
C-Pt-Sc
train
5
-0.177972
0.654001
false
76.60545
[["C",0.2],["Pt",0.6],["Sc",0.2]]
3
0.950271
0.6
2.15
0.408607
1.36
2.55
1.19
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52.2
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0
0
0
0
0
0
0
0
0.8
2.123521
0.981409
15.32109
0.70255
mp-1018651
Ba2H3I
Ba-H-I
train
6
-1.023618
0
true
145.591764
[["Ba",0.3333333333],["H",0.5],["I",0.1666666667]]
3
1.011404
0.5
1.84
0.691158
0.89
2.66
1.77
1.075
0.862047
0.801904
28
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0
0
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0
0.333333
0
2.640018
0.928541
24.265294
0.651709
mp-1018661
CePbAu
Au-Ce-Pb
train
6
-0.49835
0.021006
false
158.382765
[["Au",0.3333333333],["Ce",0.3333333333],["Pb",0.3333333333]]
3
1.098612
0.333333
1.996667
0.625797
1.12
2.54
1.42
1.666667
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0
0
0
0
0
0
0.333333
2.855588
0.916166
26.397128
0.746725
mp-1018800
MnCuAs
As-Cu-Mn
validation
6
-0.01225
0.168131
false
87.707161
[["As",0.3333333333],["Cu",0.3333333333],["Mn",0.3333333333]]
3
1.098612
0.333333
1.876667
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0
0
0
0
0
0
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2.485019
0.923799
14.61786
0.703022
mp-1018822
NdZnIn
In-Nd-Zn
train
6
-0.449786
0
true
149.237602
[["In",0.3333333333],["Nd",0.3333333333],["Zn",0.3333333333]]
3
1.098612
0.333333
1.523333
0.276204
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1.78
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0.333333
2.746398
0.947202
24.872934
0.718524
mp-1018949
RbMnBi
Bi-Mn-Rb
train
6
0.006369
0.250511
false
209.563765
[["Bi",0.3333333333],["Mn",0.3333333333],["Rb",0.3333333333]]
3
1.098612
0.333333
1.463333
0.493716
0.82
2.02
1.2
1.783333
0.408928
0.229305
48.333333
24.997778
0
0
0
0
0
0
0
0
0
0
0
0.333333
0.333333
2.914464
0.978008
34.927294
0.690182
mp-1019358
ThAsS
As-S-Th
train
6
-1.710205
0
true
135.660385
[["As",0.3333333333],["S",0.3333333333],["Th",0.3333333333]]
3
1.098612
0.333333
2.02
0.534665
1.3
2.58
1.28
1.316667
0.347211
0.263705
46.333333
31.647363
0
0
0
0
0
0
0
0.333333
0
0
0.333333
0
0
2.847043
0.94316
22.610064
0.715396
mp-1019509
B2S2O9
B-O-S
train
13
-2.089833
0
true
148.51443
[["B",0.1538461538],["O",0.6923076923],["S",0.1538461538]]
3
0.830518
0.692308
3.092308
0.542617
2.04
3.44
1.4
0.7
0.155662
0.222375
8.769231
3.261756
0
0.153846
0
0
0.692308
0
0
0.153846
0
0
0.846154
0
0
1.385545
0.826664
11.424187
0.171713
mp-1019550
BeGeN2
Be-Ge-N
train
16
-0.802733
0
true
150.199691
[["Be",0.25],["Ge",0.25],["N",0.5]]
3
1.039721
0.5
2.415
0.644069
1.57
3.04
1.47
0.9
0.259808
0.288675
12.5
11.324752
0
0
0
0.5
0
0
0
0
0
0
0
0.25
0
1.769087
0.976345
9.387481
0.371309
mp-1019794
K3LiP2O7
K-Li-O-P
train
26
-2.677833
0
true
394.322773
[["K",0.2307692308],["Li",0.0769230769],["O",0.5384615385],["P",0.1538461538]]
4
1.156988
0.538462
2.453846
1.147818
0.82
3.44
2.62
1.096154
0.651761
0.594589
11.230769
5.191025
0
0
0
0
0.538462
0
0.153846
0
0
0
0.538462
0.307692
0
1.530763
0.884834
15.166261
0.672547
mp-1019809
KBe2B3O7
B-Be-K-O
train
52
-2.894002
0.010276
false
603.584992
[["B",0.2307692308],["Be",0.1538461538],["K",0.0769230769],["O",0.5384615385]]
4
1.156988
0.538462
2.627692
0.926542
0.82
3.44
2.62
0.85
0.424264
0.499134
7.538462
3.692308
0
0.230769
0
0
0.538462
0
0
0
0
0
0.538462
0.230769
0
1.329009
0.886006
11.607404
0.386563
mp-1020016
Li4Ca2Mg(SiN3)2
Ca-Li-Mg-N-Si
train
15
-1.115163
0
true
163.76921
[["Ca",0.1333333333],["Li",0.2666666667],["Mg",0.0666666667],["N",0.4],["Si",0.1333333333]]
5
1.436829
0.4
1.951333
0.934943
0.98
3.04
2.06
1.133333
0.43423
0.383144
8.933333
5.591263
0
0
0
0.4
0
0
0
0
0
0
0
0.466667
0
1.752051
0.888065
10.917947
0.69003
mp-1020106
LiB(SO4)2
B-Li-O-S
validation
48
-2.121894
0
true
638.30387
[["B",0.0833333333],["Li",0.0833333333],["O",0.6666666667],["S",0.1666666667]]
4
0.983088
0.666667
2.975
0.758073
0.98
3.44
2.46
0.758333
0.25887
0.341368
8.666667
3.613247
0
0.083333
0
0
0.666667
0
0
0.166667
0
0
0.833333
0.083333
0
1.439175
0.841623
13.297997
0.191755
mp-1020706
SrY2Si3O10
O-Si-Sr-Y
train
32
-3.593082
0.012436
false
426.632155
[["O",0.625],["Si",0.1875],["Sr",0.0625],["Y",0.125]]
4
1.04084
0.625
2.718125
0.962875
0.95
3.44
2.49
0.93125
0.489539
0.525679
14.875
11.655873
0
0
0
0
0.625
0
0
0
0
0
0.625
0.0625
0.125
1.609263
0.861301
13.332255
0.551998
mp-1021298
KMg6Cd
Cd-K-Mg
validation
16
0.134558
0.186308
false
419.573519
[["Cd",0.125],["K",0.125],["Mg",0.75]]
3
0.735622
0.75
1.29625
0.2188
0.82
1.69
0.87
1.59375
0.229725
0.144141
17.375
11.799762
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.152647
0.965654
26.223345
0.562482
mp-1021310
HfMg6Ti
Hf-Mg-Ti
validation
16
0.139326
0.154712
false
348.961866
[["Hf",0.125],["Mg",0.75],["Ti",0.125]]
3
0.735622
0.75
1.3375
0.076608
1.3
1.54
0.24
1.49375
0.039031
0.02613
20.75
19.645292
0
0
0
0
0
0
0
0
0
0
0
0.75
0.25
2.930556
0.874793
21.810117
0.630781
mp-1021364
KMg6Nb
K-Mg-Nb
train
16
0.302379
0.314801
false
377.534363
[["K",0.125],["Mg",0.75],["Nb",0.125]]
3
0.735622
0.75
1.285
0.19975
0.82
1.6
0.78
1.58125
0.234437
0.148261
16.5
9.539392
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
2.993919
0.938592
23.595898
0.656736
mp-1021404
CsMg6Sn
Cs-Mg-Sn
train
16
0.216238
0.313043
false
476.04685
[["Cs",0.125],["Mg",0.75],["Sn",0.125]]
3
0.735622
0.75
1.32625
0.293851
0.79
1.96
1.17
1.63125
0.366519
0.224686
22.125
17.581507
0
0
0
0
0
0
0
0
0
0
0
0.875
0
2.952748
0.924833
29.752928
0.598898
mp-1021464
H6PbCNCl3
C-Cl-H-N-Pb
train
12
-0.791277
0.035469
false
194.177107
[["C",0.0833333333],["Cl",0.25],["H",0.5],["N",0.0833333333],["Pb",0.0833333333]]
5
1.314374
0.5
2.55
0.422276
2.2
3.16
0.96
0.6375
0.469984
0.737231
12.666667
21.902562
0.5
0
0.083333
0.083333
0
0
0
0
0.25
0.25
0
0
0
1.037137
1.016801
16.181426
0.155781
mp-1021483
CsMg6Sn
Cs-Mg-Sn
train
16
0.187437
0.284242
false
460.057582
[["Cs",0.125],["Mg",0.75],["Sn",0.125]]
3
0.735622
0.75
1.32625
0.293851
0.79
1.96
1.17
1.63125
0.366519
0.224686
22.125
17.581507
0
0
0
0
0
0
0
0
0
0
0
0.875
0
3.082173
0.889982
28.753599
0.619713
mp-1021487
Mg6TiC
C-Mg-Ti
validation
16
0.563657
0.773164
false
307.689495
[["C",0.125],["Mg",0.75],["Ti",0.125]]
3
0.735622
0.75
1.49375
0.406262
1.31
2.55
1.24
1.3875
0.261904
0.18876
12.5
4.092676
0
0
0.125
0
0
0
0
0
0
0
0
0.75
0.125
2.327521
0.949515
19.230593
0.580062
mp-1022065
Mg6GaCo
Co-Ga-Mg
train
16
0.07948
0.169271
false
298.254845
[["Co",0.125],["Ga",0.125],["Mg",0.75]]
3
0.735622
0.75
1.44375
0.232322
1.31
1.88
0.57
1.45625
0.076801
0.052739
16.25
7.428829
0
0
0
0
0
0
0
0
0
0
0
0.75
0.125
2.846856
1.009524
18.640928
0.597256
mp-1022105
Mg6TiCu
Cu-Mg-Ti
train
16
0.124182
0.181253
false
320.243891
[["Cu",0.125],["Mg",0.75],["Ti",0.125]]
3
0.735622
0.75
1.4125
0.199045
1.31
1.9
0.59
1.46875
0.055551
0.037822
15.375
6.101998
0
0
0
0
0
0
0
0
0
0
0
0.75
0.25
2.976394
0.988835
20.015243
0.607312
mp-1022246
Mg6VFe
Fe-Mg-V
train
16
0.287707
0.33812
false
313.183288
[["Fe",0.125],["Mg",0.75],["V",0.125]]
3
0.735622
0.75
1.415
0.188613
1.31
1.83
0.52
1.46875
0.055551
0.037822
15.125
5.464373
0
0
0
0
0
0
0
0
0
0
0
0.75
0.25
2.678432
0.907943
19.573955
0.622312
mp-1022583
KMg6Zr
K-Mg-Zr
train
8
0.189792
0.205893
false
209.630686
[["K",0.125],["Mg",0.75],["Zr",0.125]]
3
0.735622
0.75
1.25125
0.163129
0.82
1.33
0.51
1.59375
0.229725
0.144141
16.375
9.218697
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
2.993256
0.970628
26.203836
0.610325
mp-1022590
HfMg6Zn
Hf-Mg-Zn
validation
16
0.071152
0.140567
false
341.640548
[["Hf",0.125],["Mg",0.75],["Zn",0.125]]
3
0.735622
0.75
1.35125
0.112964
1.3
1.65
0.35
1.4875
0.054486
0.036629
21.75
19.88561
0
0
0
0
0
0
0
0
0
0
0
0.75
0.25
2.918618
0.976741
21.352534
0.588385
mp-1022637
RbYMg6
Mg-Rb-Y
validation
16
0.241243
0.295764
false
466.852491
[["Mg",0.75],["Rb",0.125],["Y",0.125]]
3
0.735622
0.75
1.2375
0.160526
0.82
1.31
0.49
1.64375
0.284427
0.173035
18.5
11.269428
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.056022
0.893367
29.178281
0.615979
mp-1022730
YFe2Bi2(SeO2)2
Bi-Fe-O-Se-Y
validation
11
-1.601388
0.180072
false
197.928148
[["Bi",0.1818181818],["Fe",0.1818181818],["O",0.3636363636],["Se",0.1818181818],["Y",0.0909090909]]
5
1.515708
0.363636
2.525455
0.770435
1.22
3.44
2.22
1.136364
0.443176
0.389995
32.454545
26.341684
0
0
0
0
0.363636
0
0
0
0
0
0.545455
0
0.272727
2.266775
0.943268
17.993468
0.501041
mp-1022972
LiMg6Mn
Li-Mg-Mn
train
16
0.098178
0.133065
false
336.892395
[["Li",0.125],["Mg",0.75],["Mn",0.125]]
3
0.735622
0.75
1.29875
0.143826
0.98
1.55
0.57
1.48125
0.034799
0.023493
12.5
5.567764
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.005589
1.045362
21.055775
0.554327
mp-1023396
Mg6AlNi
Al-Mg-Ni
train
16
0.01157
0.192606
false
307.629511
[["Al",0.125],["Mg",0.75],["Ni",0.125]]
3
0.735622
0.75
1.4225
0.208791
1.31
1.91
0.6
1.45
0.090139
0.062165
14.125
5.254462
0
0
0
0
0
0
0
0
0
0
0
0.75
0.125
2.784892
1.038338
19.226844
0.558202
mp-1023416
KMg6Al
Al-K-Mg
validation
16
0.194258
0.218028
false
409.92407
[["Al",0.125],["K",0.125],["Mg",0.75]]
3
0.735622
0.75
1.28625
0.201739
0.82
1.61
0.79
1.55625
0.256707
0.164952
13
2.291288
0
0
0
0
0
0
0
0
0
0
0
0.875
0
3.04407
0.964805
25.620254
0.550904
mp-1024040
BaMg3O4
Ba-Mg-O
train
8
-2.331468
0.665132
false
113.471879
[["Ba",0.125],["Mg",0.375],["O",0.5]]
3
0.974315
0.5
2.3225
1.124875
0.89
3.44
2.55
1.13125
0.567306
0.501486
15.5
15.419144
0
0
0
0
0.5
0
0
0
0
0
0.5
0.5
0
2.420654
0.861443
14.183985
0.719765
mp-1024043
CaMg3O4
Ca-Mg-O
train
8
-2.980352
0.136842
false
87.884836
[["Ca",0.125],["Mg",0.375],["O",0.5]]
3
0.974315
0.5
2.33625
1.107824
1
3.44
2.44
1.0875
0.496078
0.456164
11
3.872983
0
0
0
0
0.5
0
0
0
0
0
0.5
0.5
0
2.22301
0.918599
10.985605
0.715478
mp-1024048
Na4Zn3Se5
Na-Se-Zn
train
48
-1.095417
0.000204
false
1,121.670884
[["Na",0.3333333333],["Se",0.4166666667],["Zn",0.25]]
3
1.077556
0.416667
1.785
0.701481
0.93
2.55
1.62
1.416667
0.282351
0.199307
25.333333
10.257788
0
0
0
0
0
0
0
0
0
0
0.416667
0.333333
0.25
2.445931
0.968979
23.368143
0.483753
mp-1024049
Na2Zn2Se3
Na-Se-Zn
train
28
-1.074717
0.000323
false
680.191034
[["Na",0.2857142857],["Se",0.4285714286],["Zn",0.2857142857]]
3
1.078992
0.428571
1.83
0.680336
0.93
2.55
1.62
1.392857
0.270487
0.194196
26.285714
9.808368
0
0
0
0
0
0
0
0
0
0
0.428571
0.285714
0.285714
2.472256
0.998663
24.292537
0.442515
mp-1025099
TbGaI
Ga-I-Tb
train
6
-1.19306
0
true
179.289806
[["Ga",0.3333333333],["I",0.3333333333],["Tb",0.3333333333]]
3
1.098612
0.333333
1.856667
0.637722
1.1
2.66
1.56
1.483333
0.192931
0.130066
49.666667
14.079141
0
0
0
0
0
0
0
0
0
0.333333
0
0
0
2.528359
0.934822
29.881634
0.551506
mp-1025115
CdIBr
Br-Cd-I
train
6
-1.064698
0.018981
false
218.399561
[["Br",0.3333333333],["Cd",0.3333333333],["I",0.3333333333]]
3
1.098612
0.333333
2.436667
0.541992
1.69
2.96
1.27
1.366667
0.164992
0.120726
45.333333
7.586538
0
0
0
0
0
0
0
0
0
0.666667
0
0
0.333333
2.872464
1.060136
36.399927
0.283841
mp-1025183
Ho2B4C
B-C-Ho
train
7
-0.577769
0
true
80.27486
[["B",0.5714285714],["C",0.1428571429],["Ho",0.2857142857]]
3
0.9557
0.571429
1.881429
0.44662
1.23
2.55
1.32
1.085714
0.42318
0.389771
22.857143
27.920441
0
0.571429
0.142857
0
0
0
0
0
0
0
0
0
0
1.495206
0.851655
11.467837
0.882667
mp-1025221
Zn(NF2)2
F-N-Zn
train
7
-0.45319
0.662382
false
108.441556
[["F",0.5714285714],["N",0.2857142857],["Zn",0.1428571429]]
3
0.9557
0.571429
3.378571
0.816271
1.65
3.98
2.33
0.664286
0.287494
0.432787
11.428571
7.631835
0
0
0
0.285714
0
0.571429
0
0
0
0.571429
0
0
0.142857
1.34865
1.053633
15.491651
0.126405
mp-1025281
Ti2NiSe4
Ni-Se-Ti
train
7
-1.202804
0.019777
false
131.579728
[["Ni",0.1428571429],["Se",0.5714285714],["Ti",0.2857142857]]
3
0.9557
0.571429
2.17
0.4534
1.54
2.55
1.01
1.25
0.116496
0.093197
29.714286
5.283783
0
0
0
0
0
0
0
0
0
0
0.571429
0
0.428571
2.497235
0.915348
18.797104
0.541527
mp-1025334
Cs2TmH4
Cs-H-Tm
train
7
-0.29606
0.187172
false
156.733203
[["Cs",0.2857142857],["H",0.5714285714],["Tm",0.1428571429]]
3
0.9557
0.571429
1.661429
0.637886
0.79
2.2
1.41
1.135714
1.055839
0.92967
26.142857
29.352189
0.571429
0
0
0
0
0
0
0
0
0
0
0.285714
0
2.183687
0.901805
22.390458
0.96297
mp-1025436
YU2S3O2
O-S-U-Y
validation
8
-2.690543
0.017462
false
154.370697
[["O",0.25],["S",0.375],["U",0.25],["Y",0.125]]
4
1.320888
0.375
2.325
0.843253
1.22
3.44
2.22
1.1875
0.474835
0.399861
35.875
33.63197
0
0
0
0
0.25
0
0
0.375
0
0
0.625
0
0.125
2.329677
0.88919
19.296337
0.704576
mp-1025464
Sc3NiC4
C-Ni-Sc
train
8
-0.428956
0
true
89.796853
[["C",0.5],["Ni",0.125],["Sc",0.375]]
3
0.974315
0.5
2.02375
0.552538
1.36
2.55
1.19
1.11875
0.425689
0.380504
14.375
8.644905
0
0
0.5
0
0
0
0
0
0
0
0
0
0.5
1.454793
0.917731
11.224607
0.849062
mp-1025502
TiCuF6
Cu-F-Ti
train
8
-2.9976
0
true
107.31915
[["Cu",0.125],["F",0.75],["Ti",0.125]]
3
0.735622
0.75
3.415
0.982739
1.54
3.98
2.44
0.71875
0.379092
0.527433
13.125
7.355907
0
0
0
0
0
0.75
0
0
0
0.75
0
0
0.25
1.848327
0.851764
13.414894
0.293012
mp-10261
TiNi2Sb
Ni-Sb-Ti
train
4
-0.402609
0.098221
false
57.278044
[["Ni",0.5],["Sb",0.25],["Ti",0.25]]
3
1.039721
0.5
1.8525
0.189258
1.54
2.05
0.51
1.3875
0.041458
0.02988
32.25
11.098986
0
0
0
0
0
0
0
0
0
0
0
0
0.75
2.649619
0.932964
14.319511
0.774811
mp-1026394
HfMg14Ti
Hf-Mg-Ti
validation
16
0.106798
0.12475
false
354.889444
[["Hf",0.0625],["Mg",0.875],["Ti",0.0625]]
3
0.463414
0.875
1.32375
0.055888
1.3
1.54
0.24
1.496875
0.027776
0.018556
16.375
14.563975
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.094689
0.985955
22.18059
0.574816
mp-1026474
Mg14BMo
B-Mg-Mo
train
16
0.25556
0.326478
false
323.041521
[["B",0.0625],["Mg",0.875],["Mo",0.0625]]
3
0.463414
0.875
1.40875
0.262128
1.31
2.16
0.85
1.45625
0.156998
0.10781
13.4375
7.566115
0
0.0625
0
0
0
0
0
0
0
0
0
0.875
0.0625
2.902128
1.010803
20.190095
0.563924
mp-1026581
BaSrMg14
Ba-Mg-Sr
validation
16
0.088047
0.145115
false
426.389275
[["Ba",0.0625],["Mg",0.875],["Sr",0.0625]]
3
0.463414
0.875
1.26125
0.129416
0.89
1.31
0.42
1.571875
0.192003
0.122149
16.375
12.004556
0
0
0
0
0
0
0
0
0
0
0
1
0
3.124722
0.817837
26.64933
0.556014
mp-1026595
SrMg14C
C-Mg-Sr
train
16
0.239664
0.274743
false
369.283162
[["C",0.0625],["Mg",0.875],["Sr",0.0625]]
3
0.463414
0.875
1.365
0.31808
0.95
2.55
1.6
1.48125
0.235103
0.158719
13.25
6.552671
0
0
0.0625
0
0
0
0
0
0
0
0
0.9375
0
2.28508
0.956453
23.080198
0.533678
mp-1026615
RbMg14Nb
Mg-Nb-Rb
train
16
0.219509
0.234
false
386.294397
[["Mg",0.875],["Nb",0.0625],["Rb",0.0625]]
3
0.463414
0.875
1.2975
0.141797
0.82
1.6
0.78
1.55
0.206912
0.133491
15.375
8.957364
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
3.042998
0.908792
24.1434
0.588847
mp-1026623
SrMg14Ga
Ga-Mg-Sr
train
16
0.006465
0.082887
false
385.510067
[["Ga",0.0625],["Mg",0.875],["Sr",0.0625]]
3
0.463414
0.875
1.31875
0.15378
0.95
1.81
0.86
1.51875
0.133317
0.087781
14.8125
7.543364
0
0
0
0
0
0
0
0
0
0
0
0.9375
0
3.046958
0.968005
24.094379
0.526718
mp-1026857
NaMg14Cu
Cu-Mg-Na
train
16
0.050444
0.09066
false
355.856387
[["Cu",0.0625],["Mg",0.875],["Na",0.0625]]
3
0.463414
0.875
1.323125
0.174954
0.93
1.9
0.97
1.509375
0.083327
0.055206
13
4.138236
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
2.992307
1.040296
22.241024
0.542872
mp-1026875
NaMg14Co
Co-Mg-Na
train
16
0.106842
0.130144
false
349.740789
[["Co",0.0625],["Mg",0.875],["Na",0.0625]]
3
0.463414
0.875
1.321875
0.170851
0.93
1.88
0.95
1.509375
0.083327
0.055206
12.875
3.655048
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
2.947668
0.995386
21.858799
0.556294
mp-1026900
HfMg14Cu
Cu-Hf-Mg
train
16
0.058749
0.100364
false
345.610651
[["Cu",0.0625],["Hf",0.0625],["Mg",0.875]]
3
0.463414
0.875
1.34625
0.142998
1.3
1.9
0.6
1.49375
0.039031
0.02613
16.8125
14.829105
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
2.962798
0.967945
21.600666
0.56848
mp-1026905
BaMg14Cu
Ba-Cu-Mg
validation
16
0.079476
0.138892
false
388.760853
[["Ba",0.0625],["Cu",0.0625],["Mg",0.875]]
3
0.463414
0.875
1.320625
0.180744
0.89
1.9
1.01
1.53125
0.163817
0.106982
15.8125
11.159182
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
2.781669
0.922187
24.297553
0.55472
mp-1027816
Mg14CuSn
Cu-Mg-Sn
train
16
-0.012955
0.06145
false
351.114386
[["Cu",0.0625],["Mg",0.875],["Sn",0.0625]]
3
0.463414
0.875
1.3875
0.20532
1.31
1.96
0.65
1.4875
0.0375
0.02521
15.4375
9.823243
0
0
0
0
0
0
0
0
0
0
0
0.875
0.0625
3.05199
1.092342
21.944649
0.527671
mp-1027855
BaMg14Zr
Ba-Mg-Zr
train
16
0.094647
0.13564
false
398.753588
[["Ba",0.0625],["Mg",0.875],["Zr",0.0625]]
3
0.463414
0.875
1.285
0.102103
0.89
1.33
0.44
1.54375
0.156998
0.101699
16.5
12.237238
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
3.094665
0.936772
24.922099
0.572957
mp-1027878
Mg14TiFe
Fe-Mg-Ti
train
16
0.126467
0.192129
false
342.514468
[["Fe",0.0625],["Mg",0.875],["Ti",0.0625]]
3
0.463414
0.875
1.356875
0.134198
1.31
1.83
0.52
1.4875
0.033072
0.022233
13.5
4.031129
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
2.99717
1.024141
21.407154
0.565058
mp-1027937
YMg14B
B-Mg-Y
train
16
0.176419
0.259617
false
356.76813
[["B",0.0625],["Mg",0.875],["Y",0.0625]]
3
0.463414
0.875
1.35
0.179478
1.22
2.04
0.82
1.478125
0.177631
0.120173
13.25
6.860211
0
0.0625
0
0
0
0
0
0
0
0
0
0.875
0.0625
2.906346
0.964869
22.298008
0.548264
mp-1027943
KMg14Zr
K-Mg-Zr
train
16
0.147106
0.16589
false
390.659071
[["K",0.0625],["Mg",0.875],["Zr",0.0625]]
3
0.463414
0.875
1.280625
0.119031
0.82
1.33
0.51
1.546875
0.169068
0.109296
14.1875
6.875852
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
3.124897
0.880377
24.416192
0.567963
mp-1027961
LaMg14Fe
Fe-La-Mg
train
16
0.10659
0.151588
false
363.085541
[["Fe",0.0625],["La",0.0625],["Mg",0.875]]
3
0.463414
0.875
1.329375
0.138856
1.1
1.83
0.73
1.521875
0.113149
0.074349
15.6875
11.189944
0
0
0
0
0
0
0
0
0
0
0
0.875
0.0625
2.904726
0.870198
22.692846
0.588117
mp-1027997
SrMg14Zn
Mg-Sr-Zn
validation
16
0.041616
0.094692
false
385.161495
[["Mg",0.875],["Sr",0.0625],["Zn",0.0625]]
3
0.463414
0.875
1.30875
0.123788
0.95
1.65
0.7
1.521875
0.128657
0.084539
14.75
7.411984
0
0
0
0
0
0
0
0
0
0
0
0.9375
0.0625
3.093286
0.967215
24.072593
0.527195
mp-1028009
Mg14ZnW
Mg-W-Zn
train
16
0.131786
0.168417
false
334.532511
[["Mg",0.875],["W",0.0625],["Zn",0.0625]]
3
0.463414
0.875
1.396875
0.261885
1.31
2.36
1.05
1.48125
0.049608
0.033491
17
15.346009
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
2.981485
0.983988
20.908282
0.567372
mp-1028105
LaMg14Mn
La-Mg-Mn
train
16
0.068844
0.112906
false
379.556649
[["La",0.0625],["Mg",0.875],["Mn",0.0625]]
3
0.463414
0.875
1.311875
0.079704
1.1
1.55
0.45
1.521875
0.113149
0.074349
15.625
11.134827
0
0
0
0
0
0
0
0
0
0
0
0.875
0.0625
3.108379
0.902499
23.722291
0.568242
mp-1028133
Mg14MnZn
Mg-Mn-Zn
validation
16
0.047819
0.084451
false
344.077919
[["Mg",0.875],["Mn",0.0625],["Zn",0.0625]]
3
0.463414
0.875
1.34625
0.097524
1.31
1.65
0.34
1.484375
0.042274
0.028479
13.9375
5.201788
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.065145
1.061647
21.50487
0.540961
mp-1028144
Mg14MnV
Mg-Mn-V
validation
16
0.130049
0.178499
false
345.03044
[["Mg",0.875],["Mn",0.0625],["V",0.0625]]
3
0.463414
0.875
1.345
0.093675
1.31
1.63
0.32
1.484375
0.042274
0.028479
13.5
3.984344
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.061762
1.044947
21.564403
0.560904
mp-1028213
YMg14Al
Al-Mg-Y
train
16
-0.018053
0.063632
false
369.70456
[["Al",0.0625],["Mg",0.875],["Y",0.0625]]
3
0.463414
0.875
1.323125
0.077194
1.22
1.61
0.39
1.503125
0.097578
0.064917
13.75
6.523994
0
0
0
0
0
0
0
0
0
0
0
0.875
0.0625
3.10776
0.971117
23.106535
0.542436
mp-1028219
Mg14AlFe
Al-Fe-Mg
train
16
0.11037
0.171798
false
335.50294
[["Al",0.0625],["Fe",0.0625],["Mg",0.875]]
3
0.463414
0.875
1.36125
0.141062
1.31
1.83
0.52
1.478125
0.063661
0.043069
12.9375
3.38136
0
0
0
0
0
0
0
0
0
0
0
0.875
0.0625
2.897531
1.023862
20.968934
0.547846
mp-1028267
CsMg14Sn
Cs-Mg-Sn
train
16
0.152184
0.213851
false
407.032774
[["Cs",0.0625],["Mg",0.875],["Sn",0.0625]]
3
0.463414
0.875
1.318125
0.207943
0.79
1.96
1.17
1.565625
0.267347
0.170761
17.0625
13.423248
0
0
0
0
0
0
0
0
0
0
0
0.9375
0
3.16303
0.851515
25.439548
0.581006
mp-1028330
Mg14TiV
Mg-Ti-V
validation
16
0.130896
0.148847
false
349.564152
[["Mg",0.875],["Ti",0.0625],["V",0.0625]]
3
0.463414
0.875
1.344375
0.092329
1.31
1.63
0.32
1.484375
0.042274
0.028479
13.3125
3.477045
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.062294
1.028254
21.84776
0.562269
mp-1028336
Mg14TiV
Mg-Ti-V
validation
16
0.11164
0.129591
false
346.323573
[["Mg",0.875],["Ti",0.0625],["V",0.0625]]
3
0.463414
0.875
1.344375
0.092329
1.31
1.63
0.32
1.484375
0.042274
0.028479
13.3125
3.477045
0
0
0
0
0
0
0
0
0
0
0
0.875
0.125
3.040598
0.99301
21.645223
0.567531