mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
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7.96
type
stringclasses
2 values
formula
stringlengths
2
26
n_atoms
int64
1
444
spacegroup
int64
1
230
volume
float64
5.61
20.1k
mp-2828
0.752969
1.389809
2.772652
other
Hf1N1
2
225
22.96
mp-614444
-6.004708
-4.092844
3.739113
other
Zr1Zn1
2
225
41.78
mp-977286
-5.68172
-6.924496
3.928486
other
Li3Sm1
4
225
95.69
mp-1282
-4.854719
-0.063235
2.918746
other
V1C1
2
225
18.02
mp-20724
-6.53892
-9.673883
3.90649
other
Mg2Pb1
3
225
79.59
mp-1038778
-6.750581
-6.139301
1.59804
other
Sn3Bi1
4
225
114.05
mp-1094633
-7.235559
-10.878552
5.200102
other
Mg3Ga1
4
225
85.03
mp-22682
-8.149979
-4.745849
3.194744
other
In2Pt1
3
225
65.88
mp-1192635
-7.351408
-0.968462
4.897213
other
Dy6Mn23
29
225
431.26
mp-1063314
-5.601939
-7.055632
3.762344
other
Ca2Rh1
3
225
81.8
mp-22862
1.261406
1.892833
-5.403944
other
Na1Cl1
2
225
43.63
mp-1011695
-4.115016
-2.830708
-4.141148
other
Cs2Se1
3
225
150.76
mp-1185019
-5.309603
-7.428097
3.940153
other
K1Yb3
4
225
185.9
mp-1187197
-6.066225
-2.255196
3.99817
other
Ta3Os1
4
225
66.95
mp-451
-4.464909
0.052462
3.192364
other
Zr1B1
2
225
29.64
mp-2302
-6.383026
-2.34283
1.387316
other
As1Rh2
3
225
46.24
mp-24155
2.775597
-0.356107
-1.640898
other
Zr1H2
3
225
27.97
mp-974743
-3.938878
-7.080823
2.032348
other
Rb3V1
4
225
229.93
mp-1184446
-5.746715
-7.24608
4.228618
other
Eu3Tc1
4
225
113.86
mp-1101
-5.712523
-3.94392
0.746804
other
Tm1As1
2
225
46.94
mp-980006
-6.02486
-7.163626
4.092587
other
Yb3Os1
4
225
91.49
mp-1193387
-7.358739
-1.018613
4.945691
other
Sm6Mn23
29
225
437.17
mp-1185016
-4.798855
-7.386124
3.57655
other
K1Ca3
4
225
186.66
mp-19717
-5.980059
-3.512532
-2.29034
other
Te1Pb1
2
225
69.99
mp-866121
-6.426985
-0.900295
3.694746
other
V3Os1
4
225
53.23
mp-1008490
-0.908427
2.260403
-3.116378
other
Bi1I3
4
225
134.45
mp-723
-5.992702
-0.195819
3.389094
other
Cr23C6
29
225
288.31
mp-1958
-5.719403
-3.942705
-1.906061
other
Sr1Te1
2
225
75.58
mp-1183689
-7.159982
-0.842941
2.732307
other
Co3Cl1
4
225
50.32
mp-30474
-5.647062
-7.110835
3.99349
other
Ca22Ga14
36
225
1,031.72
mp-2493
1.903864
1.774202
1.869243
other
Ce1N1
2
225
32.94
mp-1187159
-4.730075
-7.315952
4.088276
other
Sr3Pa1
4
225
180.39
mp-1187120
-4.805357
-7.195195
3.988666
other
Sr3Nb1
4
225
157.96
mp-1185554
-4.061586
-7.007703
1.640725
other
Cs1K3
4
225
341.33
mp-2495
-2.929521
-3.778326
-3.594135
other
Pr1S1
2
225
48.96
mp-1062817
0.557565
2.401604
1.767326
other
Tc1N2
3
225
29.22
mp-867158
-8.110297
-7.334217
4.088709
other
Sm1Cd3
4
225
93.31
mp-1008282
-6.808857
-0.432675
3.8805
other
Cr3Fe1
4
225
46.43
mp-1185000
-3.944326
-7.154399
2.010478
other
K3Ru1
4
225
154.27
mp-2880538
-7.807686
-6.668667
6.919256
other
Tm3V1
4
225
104.25
mp-865176
-9.285862
-4.520896
4.252222
other
Hf1Cu3
4
225
56.87
mp-976412
-6.388996
-7.059559
3.397331
other
Li3Zn1
4
225
63.82
mp-1183630
-7.587323
-6.812127
2.352958
other
Cd3Fe1
4
225
76.27
mp-1187107
-4.989748
-7.509466
3.595753
other
Sr3Ca1
4
225
211.71
mp-1001785
-5.609135
-1.000026
2.228795
other
Mo1P1
2
225
30.49
mp-1018160
2.01902
1.572734
2.013684
other
Pm1N1
2
225
33.13
mp-1094256
-7.339583
-6.483407
5.995555
other
Y3Sn1
4
225
113.78
mp-1185559
-4.079887
-6.916557
1.524217
other
Cs1Rb3
4
225
400.08
mp-1185897
-5.669576
-2.857938
3.549154
other
Mg1Nb3
4
225
74.8
mp-978096
-5.98232
-4.525747
3.393806
other
Pu3Au1
4
225
76.42
mp-1534
-3.007852
-3.836705
-3.4971
other
Y1S1
2
225
42.16
mp-981378
-5.063706
-7.578325
3.754325
other
Sr3Yb1
4
225
201.39
mp-971763
-5.831911
-5.487289
0.625669
other
Zn1Sb3
4
225
98.93
mp-984707
-5.606748
-3.696103
3.785297
other
Er1Ta3
4
225
80.67
mp-1187262
-4.773366
-7.162093
3.886477
other
Sr3U1
4
225
209.62
mp-1187399
-5.738966
-3.273275
0.684304
other
Tc1As3
4
225
66.55
mp-1185222
-5.455976
-7.148155
3.535168
other
Li3Eu1
4
225
115.99
mp-978917
-5.966083
-6.256014
2.264821
other
Sn3B1
4
225
92.43
mp-2272
-5.581482
-7.099801
3.525522
other
Sr6Li23
29
225
817.98
mp-981380
-6.134546
-7.095826
2.029036
other
Tl3Zn1
4
225
112.46
mp-23222
-5.78416
-6.001268
0.587441
other
Li3Bi1
4
225
74.89
mp-2664
12.520267
9.482683
1.823773
other
Ti1O1
2
225
19.73
mp-568844
-4.590211
-3.180446
-3.641337
other
Bi1Se1
2
225
58.44
mp-2724
-6.424691
-5.122734
2.314527
other
Tb1Sb1
2
225
60.08
mp-1058586
1.641659
1.718896
1.200594
other
Sr1N1
2
225
39.12
mp-1194186
-7.830668
0.534241
5.593959
other
Dy6Fe23
29
225
435.68
mp-32548
6.404865
8.929973
-1.344658
other
Bi1O2
3
225
41.85
mp-997616
-3.867456
-6.00618
2.800289
other
Ba1C1
2
225
54.47
mp-1185030
-4.093702
-7.031858
1.92268
other
K3Tc1
4
225
178.95
mp-865027
-7.025197
-0.904914
3.601442
other
Mn3Ge1
4
225
47.9
mp-1094666
-6.938996
-10.186911
5.532306
other
Mg3Al1
4
225
83.23
mp-251
0.6719
1.603873
2.569062
other
Ta1N1
2
225
21.63
mp-1183639
-7.480835
-7.483536
1.695066
other
Cd1Hg3
4
225
99.09
mp-980052
-6.161859
-7.025528
4.149518
other
Yb3In1
4
225
125.02
mp-867262
-6.154616
-1.176397
4.25035
other
Sc1Tc3
4
225
60.98
mp-1094257
-7.085794
-5.782203
3.296556
other
Y1Sn3
4
225
111.55
mp-971752
-6.56924
-1.045987
3.894054
other
Zn1Cr3
4
225
52.27
mp-1185410
-5.503771
-1.189135
3.947745
other
Li1Re3
4
225
56.91
mp-9935
-5.450948
-5.301514
0.698603
other
Ge1Sb1
2
225
49.46
mp-1193217
-9.543419
-4.761992
4.141141
other
Lu6Cu23
29
225
424.97
mp-24719
2.937464
-0.136014
-1.545084
other
Ni1H1
2
225
12.43
mp-999390
-6.59252
-1.04628
4.166469
other
Nb1Cr3
4
225
53.04
mp-849053
-5.39104
-0.979184
-4.209004
other
Ni1S2
3
225
46.14
mp-1186873
-3.924032
-7.157242
1.837494
other
Rb3Sr1
4
225
322.03
mp-982663
-3.900152
-7.1974
2.464911
other
K3Ho1
4
225
229.13
mp-974452
-5.192404
-0.998697
3.879042
other
Re3C1
4
225
54.61
mp-1184307
-6.450595
-0.477179
2.12973
other
Fe3Te1
4
225
54.67
mp-1210274
-4.61562
-7.034164
3.309259
other
Na2C1
3
225
60.38
mp-343
2.231094
1.706163
1.942343
other
Pr1N1
2
225
35.42
mp-2605
9.395099
8.615925
2.042507
other
Ca1O1
2
225
27.77
mp-505569
2.866542
-0.402856
-1.786916
other
Ce1H2
3
225
41.74
mp-1187392
-5.590867
-0.971999
3.905548
other
Tc3Te1
4
225
64.44
mp-10192
-4.151282
-3.834315
0.93288
other
Lu1P1
2
225
42.13
mp-10008
-5.179739
-7.189816
3.776285
other
Ca7Ge1
8
225
291.41
mp-974641
-4.348986
-7.213197
1.765062
other
K3Tl1
4
225
204.36
mp-1008786
-5.894224
-3.320403
-2.576488
other
Mg1Te1
2
225
52.52
mp-1232422
-5.753187
-7.382295
4.791815
other
Yb3Hf1
4
225
125.68
mp-1185979
-7.321217
-1.082263
4.027824
other
Mn3Zn1
4
225
49.43
mp-1184863
-3.934532
-7.283128
2.151358
other
K3Mo1
4
225
197.72
mp-241
9.004049
1.217695
0.750958
other
Cd1F2
3
225
39.39