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-1207758
-7.603544
-6.234183
6.050392
other
Y10Ni4Sb2
16
140
391.36
mp-1078621
-3.707964
-1.52174
-5.660709
other
Tl2In2S4
8
140
208.97
mp-1245684
1.949897
2.458861
1.229026
other
Zn4Pb2N4
10
140
163.84
mp-1179009
-8.061733
-6.528313
5.973773
other
Tb10Bi2Au4
16
140
443.65
mp-1181438
-8.304016
-6.377792
5.677209
other
Er10Bi2Au4
16
140
416.92
mp-28843
-6.00867
-3.43088
-2.110083
other
Tl4Sn2Te10
16
140
557.3
mp-31252
-0.590151
0.379203
-2.510313
other
La10Al8Br8
26
140
704.2
mp-10289
-2.977643
1.084202
2.796074
other
Ca2B4C4
10
140
105.94
mp-1193262
-6.963236
0.138405
4.327022
other
Ce2Fe18Si8
28
140
350.36
mp-1211197
-8.464114
-6.033774
6.027007
other
Nd24In2Pt14
40
140
1,061.2
mp-9075
9.305801
0.901758
0.193757
other
Cd2Cu2F8
12
140
146.7
mp-1207717
-7.855692
-6.244502
5.966733
other
Y10Sb2Pd4
16
140
412.35
mp-1232302
1.379559
2.512992
-5.821663
other
Rb2Cu2Cl6
10
140
243.8
mp-1078723
-4.098403
-3.909412
-3.640064
other
Ce2Tl2Se4
8
140
234.23
mp-643523
-7.718215
0.258933
5.696
other
Pr12Fe26Ge2
40
140
756.09
mp-1356094
1.391591
1.920133
1.312904
other
Ca8Co4N8
20
140
416.68
mp-1188115
-0.401221
1.503043
-4.872272
other
Cs6Zn2Br10
18
140
714.98
mp-9353
-7.902215
-6.438889
6.268398
other
Dy10Ni4Sb2
16
140
383.83
mp-11919
2.372237
2.184885
1.555374
other
Sr2Be4N4
10
140
119.04
mp-1213208
-8.148565
-6.119298
5.71383
other
Er10Bi2Pd4
16
140
402.79
mp-1189131
-7.904405
-6.296452
6.210369
other
Ho10Ni4Bi2
16
140
388.52
mp-643712
3.246439
-0.593032
-2.535177
other
Rb6Mg2H10
18
140
396.8
mp-1079792
-5.675294
-3.906236
-1.64028
other
Ce2Tl2Te4
8
140
255.23
mp-1181047
-8.291887
-6.404811
6.045121
other
Ho10Sb2Au4
16
140
422.65
mp-1211348
-6.994633
-0.801221
4.30345
other
La2Co16Si10
28
140
349.94
mp-667295
-0.445362
1.423369
-4.834316
other
Cs14Cd6Br26
46
140
1,950.75
mp-1201769
-7.800616
0.351616
5.710608
other
Sm12In2Fe26
40
140
739.72
mp-18285
-7.343122
-0.630542
4.213356
other
Pr2Co18Si8
28
140
343.58
mp-3442
9.907897
11.189528
3.017638
other
Ca2Ti2O6
10
140
112.41
mp-1190072
-7.004196
-6.823486
4.057067
other
Yb10Cd2Cu4
16
140
435.37
mp-23043
-0.158256
1.301903
-4.327581
other
Rb2Pb4Br10
16
140
533.66
mp-1210651
-8.043552
-6.27527
6.236929
original
Lu10Ni4Bi2
16
140
368.55
mp-1396458
9.989526
1.308288
1.679993
other
Mg2Fe2F8
12
140
133.67
mp-10163
-6.05784
-3.456195
-2.105423
other
Na2Al2Te4
8
140
233.95
mp-1245788
1.741173
2.010568
1.309159
other
Ba2Zn4N4
10
140
182.95
mp-557911
8.723255
1.219365
1.220304
other
Al6Pb10F38
54
140
781.69
mp-3721
9.917814
9.678203
4.057978
other
Sr2Hf2O6
10
140
135.6
mp-1211667
-7.433311
-1.224495
5.698903
other
La12Mn18Al10
40
140
810.54
mp-19909
-5.614441
-2.132907
5.296939
other
Dy1Cr2Si2
5
139
79.24
mp-1215244
-8.311633
-4.436257
2.321717
other
Zr1Nb2Pd9
12
139
192.29
mp-9033
-5.985396
-2.326548
5.535322
original
Np1Si2Os2
5
139
84.3
mp-7361
-7.771603
-2.530222
5.218859
other
Sr1Co2Ge2
5
139
87.27
mp-8299
-4.794027
-5.740542
1.350514
other
Sr4As2O1
7
139
192.9
mp-12073
-9.176163
-1.053338
4.37989
other
Ba1B2Ir2
5
139
89.64
mp-3166
-5.805029
-2.356661
5.683596
other
Th1Si2Os2
5
139
87.11
mp-1246496
1.609907
1.756152
1.291144
other
Sr2Cu1N2
5
139
93.45
mp-1104923
-8.061027
-4.035345
5.324412
other
Eu1Al8Cu4
13
139
197.43
mp-1104719
-7.151509
-0.762935
5.922705
other
Gd1Al8Fe4
13
139
201.46
mp-3011
-8.085548
-2.960174
4.453928
other
Th1Ge2Rh2
5
139
90.66
mp-12097
-5.742952
-2.896406
5.785914
other
Sm1Si2Ir2
5
139
83.98
mp-1096930
7.582083
10.139199
-1.156983
other
Cu1Ag2O2
5
139
70.24
mp-21882
-7.421051
-0.777001
5.372808
other
Ce1Fe2Ge2
5
139
87.88
mp-12076
-5.953104
1.463482
4.07985
other
Tm1Fe2B2
5
139
55.98
mp-12098
-5.738677
-1.868343
1.309283
other
K1P2Rh2
5
139
100.03
mp-7883
-8.204832
-6.165054
2.709696
other
Ca1Ge2Au2
5
139
102.37
mp-1193657
-6.006626
-1.560878
4.276767
other
Ti8Co8Si14
30
139
377.22
mp-3907
-5.876919
-2.868433
5.634697
other
Er1Si2Ir2
5
139
81.05
mp-1025053
-4.660526
-4.551092
4.94361
other
Th2Si2Te2
6
139
161.44
mp-1024951
-5.066801
-4.507645
5.907692
other
La2Sc2Si2
6
139
154.3
mp-978986
-7.969746
-4.857819
3.001131
other
Sr1Ge2Pd2
5
139
99.61
mp-1096312
-2.321039
-8.460831
1.448964
other
Mg1Cu1Pt2
4
139
458.73
mp-561337
12.298037
11.283303
-1.669029
other
Al2W5O16
23
139
312.66
mp-570554
-6.002601
-1.501773
1.723869
other
Tb1P2Ru2
5
139
77.9
mp-15968
-5.586877
-2.804719
5.824834
other
Sm1Co2Si2
5
139
74.62
mp-5176
-5.400385
-3.388781
5.34501
other
Y1Si2Ni2
5
139
73.92
mp-1208661
-7.651449
1.138205
4.821203
other
Sm1Fe12N1
14
139
176.41
mp-21417
-7.873885
-2.352382
5.08918
other
Eu1Ge2Ru2
5
139
93.03
mp-1200148
-7.822052
-6.413985
5.722973
other
Er22In12Si8
42
139
1,027.88
mp-1197179
-7.899647
-5.861775
5.626669
other
Er22In12Ge8
42
139
1,062.41
mp-31440
-5.603425
-3.886254
2.679853
other
Lu2Zr2Sb2
6
139
146.29
mp-561317
8.79764
0.473378
0.696496
other
Rb2Ni1F4
7
139
113.88
mp-3376
9.310191
9.131373
1.70734
other
Sr2Sn1O4
7
139
104.37
mp-558518
-5.37632
-1.090391
-4.386374
other
K1Ni2S2
5
139
91.15
mp-1207099
-5.012471
-3.323045
0.820075
other
Ho1P2Pd2
5
139
82.67
mp-754128
9.371919
9.355205
3.613139
other
Ba3Hf2O7
12
139
189.9
mp-779517
9.69762
9.398769
3.973593
other
Sr3Hf2O7
12
139
179.53
mp-7720
-7.757312
-4.929272
4.858069
other
Ce2Ga10Ni1
13
139
246.94
mp-9042
-5.712165
-3.965668
4.837566
other
Np1Si2Pd2
5
139
86.39
mp-3346
-5.505634
-3.878513
2.617862
other
Ho2Zr2Sb2
6
139
150.33
mp-22125
-7.733434
-2.343879
4.877585
other
Np1Co2Ge2
5
139
78.55
mp-3106
-6.041532
-2.483693
5.616952
other
Np1Si2Ru2
5
139
83.7
mp-24517
3.329238
-0.62533
-2.558944
other
Rb2Ca1H4
7
139
149.43
mp-677445
-2.8579
-3.915288
-3.870936
other
Y4Si1S3
8
139
177.46
mp-5400
-5.667117
-2.219247
5.339437
other
Th1Cr2Si2
5
139
84.8
mp-6961
-6.271536
-4.658804
0.676213
other
Sr1Sb2Pd2
5
139
117.65
mp-1070253
-7.827183
-2.835572
5.005827
other
Ba1Co2Ge2
5
139
98.63
mp-1067937
11.255605
8.301723
2.675156
other
Ho2Bi1O2
5
139
98.75
mp-581754
-4.729996
-3.478516
0.714974
other
Eu1P2Pd2
5
139
85.85
mp-755895
9.518535
9.42924
3.71031
other
Ba3Zr2O7
12
139
194.59
mp-1029532
1.433157
1.873771
1.393502
other
Ca2Co1N2
5
139
77.89
mp-4614
-4.828601
-4.444687
5.414077
other
Tb1Si2Ag2
5
139
91.92
mp-557018
-5.19504
-1.010862
-4.435307
other
Cs1Co2S2
5
139
104.48
mp-3359
9.053798
9.096062
1.715729
other
Ba2Sn1O4
7
139
116.58
mp-4229
-8.014041
-6.333027
4.14967
other
Nd1Ag2Ge2
5
139
101.47
mp-4337
-8.120482
-2.970027
4.510474
other
Dy1Ge2Rh2
5
139
86.67
mp-20341
-7.085052
-1.903597
5.649306
other
U1Mn2Ge2
5
139
93.25
mp-849872
9.933402
8.551929
-0.354985
other
Bi2Te1O2
5
139
101.4
mp-565434
5.817513
11.514508
-0.071414
other
Sr8Co8O23
39
139
468.52
mp-1025253
-6.474272
-3.269311
4.540525
other
Tb1Ti2Ga4
7
139
125.39
mp-29623
-5.951046
-5.881623
0.779608
other
Sr2Zn2Bi4
8
139
241.07