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-8790
8.33605
9.145372
1.423288
other
Ba2Cu1O3
6
71
103.69
mp-567670
-7.924432
-6.460792
3.439134
other
Ho3Ag4Sn4
11
71
258.61
mp-17388
-8.45703
-5.423224
3.146182
other
Yb3Cu6Sn5
14
71
276.93
mp-1097269
-1.98226
-8.460035
1.867669
other
Hf1Be1Ir2
4
71
778.24
mp-1097265
-2.381012
-8.353402
1.878596
other
Y2Zn1Os1
4
71
1,325.06
mp-1093606
-2.754279
-8.494797
1.571822
other
Sc1Cu2Hg1
4
71
713.32
mp-28378
-5.735999
-1.721912
5.031248
other
Hf6Fe6Si12
24
71
329.03
mp-1093786
-1.645727
-8.395636
2.145951
other
V2Fe1Re1
4
71
737.98
mp-1096059
-2.007574
-8.430883
1.878736
other
La1Sc1Ru2
4
71
944.71
mp-1093721
-3.01532
-8.59612
1.331866
other
Sc1Hg2Pd1
4
71
1,071.12
mp-1096279
-1.444795
-8.52815
2.375523
other
Nb1Tc1W2
4
71
770.66
mp-1208472
-7.669833
-3.902208
3.504938
other
Tb3Co6Sn5
14
71
256.15
mp-4193
-7.52229
-0.912061
5.815057
other
Tm9Fe10Ge10
29
71
501.52
mp-1097470
-3.170404
-8.25891
1.659687
other
Li1La1Tl2
4
71
1,532.7
mp-1245636
1.634284
1.873546
2.061735
other
Y2Cr1N3
6
71
77.61
mp-1093596
-2.324303
-8.435751
1.527236
other
Mn1Zn1Co2
4
71
614.83
mp-1220005
-7.974489
-0.027962
4.102653
other
Pr1Co10Mo2
13
71
169.59
mp-22039
-7.958977
-4.400313
4.62845
other
Dy3Cu4Ge4
11
71
190.71
mp-1093676
-3.419138
-7.770769
1.734012
other
Ca2P1H1
4
71
786.97
mp-1096329
-2.648308
-8.573851
1.277315
other
Ag2Pd1Au1
4
71
931.78
mp-1095685
-7.447481
-0.933521
5.691199
other
Tm3Fe4Ge4
11
71
187.11
mp-1069950
-7.830945
-5.20783
5.974856
other
Pr2Al1Ni2
5
71
97.14
mp-1096445
-4.291568
-6.911437
1.540322
other
Cs1Rb2Bi1
4
71
2,884.74
mp-1096443
-2.525515
-8.450473
1.354508
other
Mg2Hg1Pt1
4
71
1,257.39
mp-1223924
1.290133
2.383478
-5.647134
other
K4Na1Cl5
10
71
294.08
mp-1096268
-3.106042
-8.176615
1.623791
other
Ca2In1Ga1
4
71
1,491.69
mp-1097572
-2.445068
-8.532665
1.674907
other
Ti1Cu2Au1
4
71
399.15
mp-1096601
-1.856473
-8.465679
1.952329
other
Li1P1Ru2
4
71
732.47
mp-1096422
-2.56635
-8.575002
1.515579
other
Ti1Ag1Au2
4
71
907.92
mp-1096664
-3.365779
-8.207598
1.595762
other
Sr2Zn1Pb1
4
71
1,823.85
mp-1104655
-8.246796
-3.926704
4.912932
other
Tm3Ga8Rh3
14
71
252.54
mp-1093789
-2.122083
-8.361683
1.765242
other
Al2Cu1Ir1
4
71
702.12
mp-1097328
-1.458791
-8.228366
2.38971
other
Nb2Cr1Mo1
4
71
783.38
mp-1103553
-7.476998
0.092352
4.796462
other
Tm1Ga6Fe6
13
71
183.63
mp-1220607
-7.428383
0.698146
4.563066
other
Nd1Fe10W2
13
71
177.55
mp-1095889
-1.577647
-8.215303
2.18363
other
Ta1Nb1Os2
4
71
726.96
mp-1093873
-2.385218
-8.541512
1.486492
other
Zn1Co2Sn1
4
71
722.91
mp-1227059
-7.392949
0.469248
4.433648
other
Ce1Fe10Re2
13
71
174.15
mp-1096758
-2.496572
-8.492465
1.389973
other
Cu1Sn1Pd2
4
71
827.96
mp-1093886
-1.646977
-8.199784
2.165482
other
Ta2Mn1Ru1
4
71
665.82
mp-1096483
-2.445176
-8.349093
1.759858
other
Sc2Ga1Ni1
4
71
1,037.03
mp-1251392
9.100165
0.963169
0.554164
other
Al1Cu1F5
7
71
82.97
mp-1272691
13.206002
11.729285
-0.022097
other
Li2V6O8
16
71
161.1
mp-10221
-7.691599
-3.499035
4.73847
other
Pr3Ni4Ge4
11
71
210.06
mp-1096219
-2.367946
-8.450263
1.485695
other
Mg1Ge1Pd2
4
71
859.88
mp-604516
-7.916252
-4.938627
5.83552
other
Y2Al1Ni2
5
71
93.25
mp-1096709
-2.894425
-8.459595
1.275416
other
Cd2Ag1Pd1
4
71
997.99
mp-1207716
-7.664383
-3.254203
4.752069
other
Tm4Ni4Ge8
16
71
271.89
mp-504838
-2.337718
-0.462055
-5.364715
other
Cs2P2S6
10
71
315.36
mp-1095764
-1.548795
-8.19459
2.394413
other
Hf1Ta1Mo2
4
71
845.26
mp-1213258
-8.249434
-6.395989
6.274574
other
Er12In2Co4
18
71
436.25
mp-1095814
-2.200277
-8.488449
1.900321
other
Zr2Zn1Pt1
4
71
961.43
mp-755691
10.269701
10.065314
-0.018036
other
Li2Bi1O2
5
71
66.65
mp-1093780
-1.578319
-8.359826
2.2833
other
Nb2Cr1Ru1
4
71
733.32
mp-1097102
-1.706179
-8.320026
2.016673
other
Ti2Zn1Os1
4
71
782.74
mp-1097475
-3.442322
-8.201554
1.517633
other
Sr2Ag1Bi1
4
71
1,613.12
mp-1096137
-2.492983
-8.422418
1.815647
other
Zr1Ga1Cu2
4
71
742.34
mp-1096094
-2.738518
-8.406862
1.354676
other
Li1Mg1Ag2
4
71
991.99
mp-1097223
-2.782455
-8.477777
1.560167
other
Y1Zn1Au2
4
71
1,125.63
mp-1258701
-2.075457
-8.312309
1.658647
other
Al2Os1Rh1
4
71
132.83
mp-1096270
-2.902943
-8.227844
1.897412
other
Y2Al1Pb1
4
71
1,424.23
mp-1096428
-1.663627
-8.191902
2.145295
other
Ta2Ni1Os1
4
71
769.27
mp-1104297
-7.921357
-4.826846
4.410909
original
Yb3Ga9Pd2
14
71
260.05
mp-1095754
-3.297988
-8.214347
1.645743
other
Sr2Li1Cd1
4
71
1,842.41
mp-1097337
-1.538629
-8.264957
2.240922
other
Ti2Ga1Re1
4
71
825.34
mp-1096474
-2.50771
-8.316242
1.696658
other
La2Co1Ir1
4
71
970.69
mp-1206945
-7.965253
-5.29973
5.314081
other
Gd2Ni2Sn1
5
71
101.21
mp-1096517
-1.773537
-8.509488
2.227431
other
V1Cr1Re2
4
71
654.84
mp-1093877
-3.032574
-8.17775
1.593294
other
Ca2Cd1Ge1
4
71
1,458.93
mp-1093858
-1.462156
-8.244664
2.329117
other
Nb2V1Tc1
4
71
940.3
mp-1097413
-2.941437
-8.396662
1.558576
other
Na1La1Ag2
4
71
685.94
mp-1097613
-1.729463
-8.272938
2.255122
other
Ta1V1Re2
4
71
822.02
mp-1093680
-1.999658
-8.494859
1.536362
other
Mg1Cr1Pt2
4
71
796.72
mp-1093843
-3.013435
-8.255937
1.502917
other
Li2Tl1Zn1
4
71
1,015.12
mp-1096731
-1.481265
-8.13632
2.319055
other
Ta2V1Tc1
4
71
763.65
mp-1093630
-2.247997
-8.264464
1.645476
other
Li1Ge2Rh1
4
71
605.27
mp-1096677
-2.279507
-8.500578
1.398649
other
Mg1Sb1Rh2
4
71
855.54
mp-1222373
-6.513853
-1.535538
5.152753
other
Lu1Al6Cr6
13
71
191.84
mp-1096725
-3.151074
-8.642736
1.091622
other
Na1Hg2Pd1
4
71
1,217.15
mp-1096152
-2.099438
-8.411019
1.854419
other
Hf1Be2Pt1
4
71
672.01
mp-1097208
-1.528179
-8.127307
2.390763
other
Ta2Cr1Mo1
4
71
783.43
mp-1097435
-1.743057
-8.29335
2.295081
other
Nb1Cr1Re2
4
71
809.7
mp-640597
-7.924526
-6.060126
4.002588
other
Ce3Ag4Ge4
11
71
237.65
mp-1096471
-2.912774
-8.628182
1.40182
other
Y1Ag2Hg1
4
71
1,244.14
mp-9578
-4.011724
-5.745211
5.105788
other
Ba3Al2Si2
7
71
222.82
mp-1096119
-2.016475
-8.318418
1.932312
other
Al2Cr1Fe1
4
71
726.08
mp-1208653
-8.087082
-4.748808
3.690579
other
Sm4Ge8Pd4
16
71
316.9
mp-1093536
-2.487013
-8.397429
1.551283
other
Ca1Rh2Pb1
4
71
963.32
mp-1096633
-3.970524
-7.570778
1.439381
other
K2Na1Hg1
4
71
1,995.19
mp-20054
-7.840418
-4.073394
3.774305
other
Tb4Ge8Pt4
16
71
309.25
mp-1096613
-3.167939
-8.050502
1.820144
other
Sr1La1Mg2
4
71
1,446.74
mp-569117
1.307257
2.515093
-5.823934
other
Cs1Li2Cl3
6
71
145.28
mp-1077151
-6.371128
-6.292517
3.889044
other
Eu2Zn2Ge2
6
71
142.76
mp-1096451
-2.007432
-8.355566
1.818394
other
Al2Fe1Rh1
4
71
638.08
mp-1096761
-4.013165
-7.098142
1.737977
other
K1Rb2Na1
4
71
3,001.9
mp-1097388
-2.48518
-8.42584
1.59744
other
Y1Zn1Pd2
4
71
985.67
mp-1207811
-7.748864
-6.33414
6.46985
other
Y12Co4Sn2
18
71
461.53
mp-1103076
-5.5052
-3.170581
5.323193
other
Sc3Si4Ni4
11
71
158.64
mp-1096756
-2.256376
-8.264788
1.70344
other
Al1Si1Ni2
4
71
646.17
mp-4359
8.222706
9.91747
1.064072
other
Sr2Pd1O3
6
71
90.81