mp_ID
stringlengths
4
10
x
float64
-10.28
17.7
y
float64
-12.01
23.9
z
float64
-8.99
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-1187458
-6.131939
-0.991913
3.498873
other
Tc1Pt1
2
187
30.08
mp-1023935
-8.835411
1.620532
-3.247144
other
Te2Mo1
3
187
192.36
mp-1185513
-7.323512
-10.784888
5.518025
other
Hf1Mg149
150
187
3,435.3
mp-1002197
0.50342
2.116623
1.944048
other
Ru1N1
2
187
20.55
mp-1023616
-7.365485
-10.888806
5.402226
other
Mg15Zn1
16
187
347.72
mp-998900
0.235748
1.91022
2.083016
other
Tc1N1
2
187
20
mp-1009015
0.765198
2.188785
1.592952
other
Ir1N1
2
187
21.7
mp-1183252
-9.009092
-1.366716
4.236902
other
B1Ir1
2
187
21.66
mp-1185557
-7.288239
-10.837873
5.359456
other
Mg149Bi1
150
187
3,463.8
mp-1094581
-6.94245
-11.019493
5.538501
other
Li2Mg4
6
187
128.64
mp-1183233
-8.384055
-3.414959
3.01371
other
Ag1Rh1
2
187
32.13
mp-1226617
-6.62458
-6.277409
6.218346
other
Ce1Er1
2
187
60.89
mp-1185556
-7.260197
-10.832249
5.413274
other
Mg149H1
150
187
3,445.69
mp-1094580
-6.252638
-9.395482
4.428348
other
Li3Mg3
6
187
129.44
mp-1185555
-7.332084
-10.829116
5.432751
other
Mg149Ru1
150
187
3,432.82
mp-982779
-5.33311
-2.030967
-1.36854
other
Nb1Te1
2
187
43.87
mp-1219509
-6.825871
-1.09181
4.112023
other
Re1Os1
2
187
28.86
mp-1185585
-7.321187
-10.823074
5.437441
other
Mg149Cr1
150
187
3,433.21
mp-1226002
-6.399677
-0.286772
3.452823
other
Co1Mo1
2
187
26.31
mp-1023511
-6.928989
-10.891105
5.88746
other
Sr1Mg15
16
187
394.32
mp-973229
-6.014103
-3.961357
3.950145
other
Sc1Nb1
2
187
41.28
mp-1185573
-7.335
-10.798571
5.40643
other
Mg149Au1
150
187
3,398.37
mp-1217705
-6.912642
-4.626531
5.432228
other
Tb2Ge3
5
187
120.68
mp-1187343
-7.230226
-10.849212
5.464991
other
Rb1Mg149
150
187
3,488.74
mp-979011
-5.943431
-5.111041
4.957156
other
Tm1Zr1
2
187
52.63
mp-1094507
-6.879528
-10.020201
3.226062
other
Mg4Sb2
6
187
147.94
mp-973948
-5.70801
-4.602548
4.075035
other
Li1Hf1
2
187
41.44
mp-1224795
-7.826791
-6.625899
2.126493
other
Ga1Ag3
4
187
68.14
mp-1038715
-7.101645
-6.095651
5.491989
other
Ce1Mg1
2
187
49.22
mp-1183602
-6.108785
-6.944749
5.667377
original
Ca1La1
2
187
77.83
mp-1016281
-8.257212
-11.206459
6.074435
other
Mg7Mo1
8
187
165.2
mp-1094750
-7.793644
-9.661621
6.877666
other
Y1Mg3
4
187
103.6
mp-1215904
-7.024408
-6.677589
6.903202
other
Y1Er1
2
187
64.86
mp-1221551
-7.325066
-1.161747
3.910576
other
Mn1Ru1
2
187
24.26
mp-1001925
-6.611596
-6.276136
6.154283
other
La1C1
2
187
39.41
mp-1186779
-8.289586
-3.62975
2.40058
other
Pt1Au1
2
187
32.82
mp-1023560
-7.364836
-10.410135
6.243618
other
La1Mg15
16
187
390.12
mp-1219539
-5.511203
-0.670044
3.713601
other
Re3Rh1
4
187
59.29
mp-22210
-7.051093
-1.277448
2.141404
other
Co2As1
3
187
36.65
mp-1221414
-6.406795
-0.788676
3.371441
other
Mo1Ir1
2
187
30.18
mp-1185913
-6.625356
-6.825539
2.891662
other
Mg2In4
6
187
147.36
mp-1187372
-7.07387
-6.819328
7.252848
other
Tb1Sm1
2
187
68.29
mp-1185636
-7.345375
-10.828631
5.442483
other
Mg149Tc1
150
187
3,431.6
mp-867290
-5.876217
-4.00418
-0.994316
other
Tb1Te1
2
187
59.51
mp-1382591
-6.166097
-2.701112
4.324583
other
Pa1V1
2
187
38.32
mp-1016253
-7.348732
-10.802318
5.21655
other
Mg7Cd1
8
187
174.24
mp-1025571
-6.100816
2.243897
-5.396521
other
W3S6
9
187
250.34
mp-984827
-5.212754
-7.145759
4.257084
other
Ba1Nd1
2
187
89.56
mp-1185580
-7.335891
-10.805284
5.42187
other
Mg149Pd1
150
187
3,410.38
mp-1008835
-4.480429
-0.221409
2.847451
other
Os1C2
3
187
28.67
mp-1038915
-5.964163
-7.248472
3.680493
other
Ca1Zn1
2
187
57.58
mp-1228441
-7.358927
-7.689548
1.984875
other
Ba7Hg31
38
187
1,088.46
mp-1186147
-5.789332
-4.801652
4.091712
other
Np1Cd1
2
187
41.06
mp-1018027
0.063749
2.053981
2.342502
other
V1N1
2
187
17.1
mp-1185036
-5.666344
-7.060581
5.068577
other
K1Nd1
2
187
86.97
mp-1094610
-7.02614
-10.609267
5.105409
other
Mg4Ga2
6
187
124.84
mp-1219500
-5.763248
-1.036016
3.694227
other
Re1Pt1
2
187
30.44
mp-1186593
-0.102332
1.214584
-2.271182
other
Pm1I1
2
187
62.73
mp-984762
-4.923884
-6.713247
3.610579
other
Cs1Y1
2
187
96.08
mp-755264
12.702166
9.655441
1.973566
other
Ti1O1
2
187
19.31
mp-1038961
-5.845545
-9.465364
5.006718
other
Ca1Mg1
2
187
65.51
mp-1185600
-7.33215
-10.843712
5.43371
other
Mg149Os1
150
187
3,423.27
mp-1226032
-7.529988
-1.826138
2.727182
other
Co3Sn2
5
187
78.25
mp-1187910
-7.389484
-1.467688
4.475581
other
Zn1Os1
2
187
28.47
mp-1229111
-7.682051
-6.705847
1.876523
other
Ag3Bi1
4
187
88.46
mp-13036
0.316128
1.996189
2.461073
other
Mo1N1
2
187
20.6
mp-1185631
-7.318965
-10.781894
5.486541
other
Mg149Sc1
150
187
3,431.62
mp-2646987
10.751475
9.290667
0.700213
other
In2O2
4
187
164
mp-1186423
-5.384126
-3.338696
4.187968
other
Pa1Ti1
2
187
42.01
mp-1009735
-4.550954
-0.388543
3.17002
other
Re1C1
2
187
20.38
mp-1217685
-4.757737
-4.398795
6.032537
other
Tb2Si3
5
187
109.51
mp-1183157
-6.180281
-6.601015
6.130888
other
Ac1Th1
2
187
75.07
mp-1002188
-5.527649
0.120506
3.451801
other
Tc1B1
2
187
21.16
mp-1023490
-7.514395
-10.854488
5.66607
other
Mg15Cr1
16
187
356.73
mp-1018050
-5.182003
0.171403
3.07254
other
Cr1C1
2
187
16.64
mp-1038724
-5.163289
-7.348351
3.938063
other
Ca4Mg2
6
187
217.27
mp-2634
0.590137
1.430901
2.895379
other
Nb1N1
2
187
22.18
mp-1217363
-7.221753
-1.220729
4.290296
other
Tc1Ru1
2
187
27.73
mp-1023610
-7.354731
-10.935013
5.369778
other
Mg15Cu1
16
187
342.43
mp-1224258
-5.696923
-3.604808
3.952997
other
Hf1Ti1
2
187
39.83
mp-972845
-5.761848
-1.435662
3.894019
other
Si1Mo1
2
187
29.96
mp-1217014
-8.226806
-5.458889
3.096708
other
Ti1Au1
2
187
35.18
mp-1023508
-7.058324
-10.834489
5.840748
other
Ca1Mg15
16
187
377.66
mp-1185575
-7.316204
-10.816953
5.416333
other
Mg149Ir1
150
187
3,439.58
mp-1187978
-8.415597
-1.294688
3.537165
other
Zn1Co1
2
187
24.56
mp-1185402
-7.498066
-1.153527
4.976465
other
Li1Mn1
2
187
26.19
mp-561735
-4.182293
-6.518516
1.399477
other
Cs21O3
24
187
2,247.06
mp-1229107
-7.729566
-6.577302
1.949667
other
Ag3Sn1
4
187
81.12
mp-1185999
-6.312065
-6.988411
2.382179
other
Mg2Pb4
6
187
167.26
mp-1039536
-5.849779
-9.353225
4.928633
other
Ca3Mg3
6
187
197.61
mp-1009838
1.228368
1.457539
2.707367
other
Zr1N1
2
187
25.24
mp-1226802
-6.252655
-6.301104
6.166396
other
Ce3Y1
4
187
115.43
mp-1227382
-5.452125
-1.409722
4.654635
other
Be16Ru2
18
187
164.73
mp-219
-5.703265
-0.955951
2.26001
other
Mo1P1
2
187
28.84
mp-972495
-6.523294
-4.410632
3.281441
other
U1Sn1
2
187
45.94
mp-1009648
-6.857939
-3.737627
3.197426
other
Pt1C1
2
187
22.91
mp-1016277
-7.627096
-10.101433
6.611805
other
Y1Mg7
8
187
193.63
mp-1008965
1.782992
2.806271
0.391773
other
Cd1N1
2
187
28.73
mp-1216325
-6.758846
-1.373135
4.37949
other
V1Ga1
2
187
29.07
mp-1017987
-5.829329
-0.323904
3.574479
other
Tc3N1
4
187
47.72