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-556447
9.029001
0.409956
0.838997
other
K2Co1F4
7
139
112.47
mp-570091
-5.513452
-2.005653
-3.168002
other
Rb1Co2Se2
5
139
107.06
mp-567657
-5.36397
-2.975383
-4.177628
other
K1Cu2Se2
5
139
107.02
mp-4354
-5.505901
-1.858465
-3.387883
other
Tl1Ni2Se2
5
139
101.9
mp-21229
-5.092688
-4.523266
4.91762
other
Eu1Si2Au2
5
139
96.2
mp-1245840
1.48135
1.89359
1.222793
other
Ba2Ni1N2
5
139
109.13
mp-1025304
-6.305649
-2.874622
4.405544
other
Zr1Ti2Ga4
7
139
115.84
mp-1207125
-5.640423
-0.746882
1.660431
other
Cs1Fe2P2
5
139
101.98
mp-1205481
1.844412
1.793009
2.192952
other
Pr3Ta2N6
11
139
164.04
mp-1069561
11.278212
8.374997
2.711752
other
Dy2Bi1O2
5
139
100.18
mp-672215
-5.921376
-1.440896
1.725586
other
Gd1P2Ru2
5
139
78.84
mp-4562
-8.081519
-3.083663
4.510151
other
La1Ge2Rh2
5
139
93.3
mp-675328
-2.854954
-3.669291
-3.620887
other
Ce4Ge1S3
8
139
206.17
mp-3097
-5.740721
-2.986361
5.705496
other
Tb1Si2Rh2
5
139
81.44
mp-1246299
1.442358
1.799872
1.310279
other
Ba2Fe1N2
5
139
109.93
mp-573995
-7.672288
0.861056
4.066743
other
Ho1Co2B2
5
139
57.7
mp-30175
-6.64404
-5.786099
5.189509
other
Ca1Al2Zn2
5
139
94.89
mp-5796
-5.489954
-2.158089
5.714602
other
Ho1Mn2Si2
5
139
78.1
mp-672310
-7.89359
-2.221681
5.298059
other
Th1Ge2Ru2
5
139
91.27
mp-3415
-5.942869
-2.50888
6.002008
other
Yb1Si2Ru2
5
139
84.07
mp-7364
-5.000498
-4.612328
5.054003
other
Ca1Si2Au2
5
139
94.36
mp-1278019
8.041309
11.509888
2.198957
other
La4Mn4O12
20
139
245.46
mp-1025162
11.305375
8.416394
1.52327
other
K2Np1O4
7
139
121.33
mp-4176
-5.235603
-3.874241
4.816613
other
La1Si2Pt2
5
139
92.71
mp-1206900
-4.421805
-3.150527
-4.074191
other
Tl2Ni1Se2
5
139
147.27
mp-16498
-8.080527
-3.963418
5.317986
other
Sm1Al8Cu4
13
139
196.07
mp-972569
-6.847332
-1.613074
5.949821
other
Sm1Mn4Al8
13
139
193.18
mp-1068789
-6.25076
-2.703209
-1.200461
other
K1Fe2Te2
5
139
123.18
mp-8300
-4.536418
-6.194685
1.770565
other
Ba4As2O1
7
139
235.5
mp-4738
-6.804261
-4.46275
5.253371
other
Pr2Sc2Ge2
6
139
151.66
mp-3605
-7.966625
-2.117415
4.989202
other
Th1Co2Ge2
5
139
83.32
mp-1246192
1.920397
2.326104
1.168845
other
Zn1Cd2N2
5
139
76.22
mp-10254
7.936644
10.255116
0.885626
other
Sr2Ir1O4
7
139
96.92
mp-8528
-5.863338
-2.967833
5.682673
other
Tm1Si2Rh2
5
139
79.74
mp-22760
-7.271508
-1.848651
5.713248
other
La1Mn2Ge2
5
139
100.52
mp-985207
-6.647831
-1.834262
5.900099
other
Dy1Al8Cr4
13
139
200.93
mp-1100341
-3.314784
-1.689082
-5.643066
other
Ca4Sn3S10
17
139
417.86
mp-1147636
8.301799
10.264999
-0.091496
other
Li2Cu1O2
5
139
57.58
mp-18839
8.966562
10.2924
2.114868
other
Pr2Ni1O4
7
139
93.75
mp-1191074
-3.846964
1.819064
2.924595
other
Ce4Ni4B16
24
139
248.51
mp-1217406
-5.920984
-3.562854
-2.31039
other
Te4Pb5Se1
10
139
346.91
mp-5219
-5.751181
-2.278646
5.620456
other
Ho1Si2Os2
5
139
82.91
mp-1193680
-7.098486
-1.754504
3.286433
other
Ti8Ni8Ge14
30
139
431.15
mp-976187
-7.070466
-0.723397
5.823656
other
Pr1Al8Fe4
13
139
194.98
mp-4228
-5.538928
-2.856888
5.908769
other
Nd1Co2Si2
5
139
76.54
mp-973553
-8.038632
-3.978084
5.318754
original
Gd1Al8Cu4
13
139
194.74
mp-567999
-6.992183
-1.971507
5.085807
other
Np1Cr2Ge2
5
139
83.77
mp-559959
8.876776
0.419452
0.78924
other
Rb2Co1F4
7
139
122.62
mp-30534
-4.104995
-3.831685
0.932423
other
U2Cu2P4
8
139
135.75
mp-3296
-8.072391
-4.723204
2.902667
other
Yb1Ge2Pd2
5
139
95.09
mp-1212973
10.25379
10.372927
3.301275
other
Eu3Ti2O7
12
139
156.27
mp-20563
-6.205336
-2.229174
1.116081
other
Ba1Co2As2
5
139
99.23
mp-11435
-6.451446
-3.128509
4.441772
other
Er1Ti2Ga4
7
139
121.37
mp-5423
-5.409816
-2.265195
5.808486
other
Pr1Mn2Si2
5
139
91.77
mp-3441
-5.701729
-2.970423
5.808105
other
Y1Si2Rh2
5
139
81.32
mp-4147
-8.101119
-4.490228
3.350575
other
Th1Ge2Pd2
5
139
94.79
mp-1200167
-7.738927
-6.169803
5.774264
other
Y22In12Ge8
42
139
1,102.01
mp-22771
-5.535761
-2.082152
5.721355
other
Pu1Mn2Si2
5
139
75.14
mp-23335
10.384046
9.96167
1.004037
other
Ti3Bi4O12
19
139
244.84
mp-972680
-7.961663
-6.360287
4.159976
other
Sm1Ag2Ge2
5
139
99.9
mp-6940
-2.683447
0.294998
2.522846
other
U2Ir1C2
5
139
76.32
mp-20260
-6.03545
-2.915779
5.594661
other
U1Si2Ir2
5
139
80.67
mp-29873
1.31783
2.599656
-5.852837
other
Rb2Cd1Cl4
7
139
221.5
mp-1080739
8.310665
1.66583
1.747529
other
Eu3S2F4
9
139
154.86
mp-1025154
11.389741
8.939879
1.553051
other
U1Tl2O4
7
139
130.41
mp-5517
-5.748061
-1.570208
0.969216
other
Tb1Ni2P2
5
139
69.7
mp-1025445
-8.394176
-4.550791
2.431757
other
Ce1Al2Pd5
8
139
129.28
mp-2949
-7.685678
-3.155725
4.013111
other
Ca1Ni2Ge2
5
139
81.94
mp-1025286
8.512
0.778136
1.265822
other
Rb2Zn1F4
7
139
116.29
mp-28939
11.876441
8.46373
2.677861
other
U4Te3O4
11
139
220.11
mp-1104202
-7.159068
-0.668014
5.898767
other
Yb1Al8Fe4
13
139
189.16
mp-3301
-5.642749
-4.094416
4.965648
other
Dy1Si2Pd2
5
139
84.62
mp-1247754
1.781638
1.641627
1.645986
other
Ca3U1N4
8
139
118.25
mp-571296
-7.798107
-2.347191
5.239194
other
Er1Ge2Ru2
5
139
87.14
mp-31179
-7.083936
-0.703196
5.828348
other
Ho1Al8Fe4
13
139
188.38
mp-582433
-6.350204
-2.2146
0.840124
other
Gd1Ni2As2
5
139
80.48
mp-5526
-5.539354
-2.814295
5.807363
other
La1Co2Si2
5
139
80.9
mp-19167
8.378119
9.62999
-0.273185
other
Rb2Ni1O2
5
139
113.06
mp-22181
-8.1302
-4.61235
3.161688
other
Gd1Ge2Pd2
5
139
91.94
mp-672298
-6.736248
-1.480301
5.572112
other
Eu1Mn2Ge2
5
139
77.98
mp-756435
10.807255
11.107097
3.050398
other
Sr3Nb4O13
20
139
292.16
mp-21303
10.911945
11.716948
0.67587
other
Sr4V3O10
17
139
214.34
mp-5268
1.498297
1.310517
2.481045
other
U2Sb1N2
5
139
93.09
mp-5556
-5.568184
-3.176479
5.715166
other
U1Si2Rh2
5
139
82.01
mp-16035
11.023903
8.566195
2.916402
other
Gd2Te1O2
5
139
99.18
mp-1229102
-1.106489
2.781191
-3.055393
other
Ag2Pb1I4
7
139
255.27
mp-5622
-5.627672
-0.785711
1.367044
other
Nd1Co2P2
5
139
73.77
mp-12084
-5.591878
-2.094419
5.335344
other
Lu1Cr2Si2
5
139
76.98
mp-20322
-8.019907
-4.430918
4.514299
other
La1Cu2Ge2
5
139
90.25
mp-1091368
8.019557
9.150213
-0.782605
other
Sr1Ta2O7
10
139
150.33
mp-1104954
-8.050555
-3.943758
5.329264
other
Ho1Al8Cu4
13
139
193.23
mp-1207112
-5.528142
-2.109966
5.641036
other
Lu1Mn2Si2
5
139
75.96
mp-1207073
-4.583612
-3.079533
-4.079886
other
Tl2Cu1Se2
5
139
172.38
mp-760339
10.028099
2.6303
2.080576
other
Li2V1F4
7
139
78.34
mp-1206612
-7.746459
-2.446453
5.091285
other
Eu1Co2Ge2
5
139
82.91
mp-1025267
-0.359695
1.266003
-4.750599
other
Cs2Ca1Br4
7
139
292.21
mp-1078314
-6.142085
-5.751941
0.719458
other
Eu2Mn2Bi4
8
139
231.53
mp-16037
11.236583
8.204293
2.954836
other
Dy2Te1O2
5
139
95.13
mp-3985
-7.093229
-1.658992
5.708412
other
Tm1Mn2Ge2
5
139
89.14
mp-2967
-7.506156
0.911746
4.123004
other
La1Co2B2
5
139
65.84