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-1237264
1.724547
2.038486
2.121917
other
Li1Zr1N2
4
156
51.31
mp-1029256
-9.4121
1.994503
-3.851597
other
Te8Mo2W2
12
156
440.18
mp-1220670
-6.380581
-1.079747
4.201578
other
Nb3Al1Cr8
12
156
164.62
mp-1040986
8.086479
13.53009
-0.927262
other
Mg6Fe12O24
42
156
469.28
mp-1227016
-4.199656
-1.617466
-5.602558
other
Cd10Te2S8
20
156
560.65
mp-1041366
12.853098
10.199682
0.266807
other
Zn6W12O24
42
156
555.97
mp-1044926
7.160098
11.169541
-0.939408
other
Zn6Cu12O24
42
156
439.43
mp-1025599
-6.840733
2.196913
-5.554125
other
W3Se4S2
9
156
281.18
mp-1041378
6.603192
12.395288
-1.180511
other
Ca6Ni12O24
42
156
489.83
mp-1222365
-7.952314
-4.877109
5.557873
other
Lu2Ga3Cu1
6
156
110.83
mp-1023948
-8.930976
2.641767
-3.984295
other
Te2Mo2Se2
6
156
249.49
mp-1219410
-7.950689
-4.364772
4.973742
other
Sc6Ga8Ni4
18
156
305.88
mp-1026034
-6.055685
2.23642
-5.120007
other
Mo1W2S6
9
156
248.58
mp-1216680
-5.665738
-1.818518
-1.897507
other
Ti1Te1S1
3
156
73.39
mp-1040983
12.893273
12.489517
-0.591828
other
V12Zn6O24
42
156
474.48
mp-1226917
-5.023716
-2.685554
-3.848274
other
Cd3Fe1Se4
8
156
226.54
mp-1215451
-5.052063
-2.893806
-4.15842
other
Zn1Cd1Se2
4
156
107.06
mp-1216570
-6.00493
-3.653315
-1.771946
other
Tm1Ag1Te2
4
156
126.93
mp-1225325
-7.964935
-5.051609
5.550001
other
Dy2Ga3Cu1
6
156
117.24
mp-29057
-1.022215
0.834319
-3.413091
other
Nb3S1Br7
11
156
292.26
mp-1221709
-5.878854
-0.703643
2.605163
other
Ni24Mo36P14
74
156
977.31
mp-1227750
-6.188543
-5.255442
5.151976
other
Ca24Mn4Al44
72
156
1,529.32
mp-1218087
-6.684031
-1.045852
4.494928
other
Ta3Mn8Al1
12
156
159.98
mp-1049284
8.102888
13.534681
-0.941983
other
Mg6Fe12O24
42
156
464.08
mp-2210628
7.115518
13.552179
-1.680918
other
Mg1Co2O4
7
156
84.78
mp-1224428
-5.759434
-1.468696
3.832095
other
Hf3Si1Mo8
12
156
211.59
mp-530413
8.255683
13.374363
-1.029575
other
Zn12Fe24O48
84
156
939.05
mp-1224194
-8.054139
-5.049945
5.393426
other
Ho6Ga8Cu4
18
156
355.32
mp-1217263
-5.916494
-2.654972
-1.470928
other
Te1Pd1Se1
3
156
67.18
mp-1028526
-9.203659
2.869412
-4.813224
other
Te4W4S4
12
156
385.08
mp-532027
8.582066
13.143147
-0.950218
other
Cd12Fe24O48
84
156
1,036.7
mp-1040929
11.384965
12.957151
-0.089924
other
Zn6Cr12O24
42
156
462.93
mp-625557
10.567082
4.203136
-4.020549
other
Cd1H2O2
5
156
56.71
mp-2225908
8.64715
10.725487
-0.175479
other
Mg1Cu2O2
5
156
62.12
mp-1221534
-4.875076
-1.534108
-6.372176
other
Mn1Zn3S4
8
156
166.05
mp-1218912
-4.034022
-1.476253
-5.449242
other
Sn1Se1S1
3
156
77.93
mp-1027687
-5.796086
1.733567
-4.572435
original
Mo4Se4S4
12
156
325.69
mp-1218071
-6.2644
-1.161199
4.324323
other
Ta3Cr8Si1
12
156
161.81
mp-1030331
-9.150236
1.823943
-3.581422
original
Te8Mo3W1
12
156
439.26
mp-1226897
-4.900863
-2.833637
-4.127175
other
Cd8Hg2Se10
20
156
605.43
mp-1221986
10.516894
8.986892
0.274518
other
Mg2Zn8O10
20
156
237.09
mp-1245571
1.880911
2.340027
1.049302
other
K1Pb1N1
3
156
70.56
mp-1224507
-4.011603
-1.377155
-5.829715
other
In2Ga2S6
10
156
253.33
mp-1220035
-6.539763
-2.230634
-0.772301
original
Ni1Te1Se1
3
156
61.78
mp-1225476
-6.411497
-5.681652
3.989283
other
Eu2Ni1Ge3
6
156
135.9
mp-1025733
-9.503217
2.440715
-3.550588
other
Te4Mo3Se2
9
156
335.8
mp-1360099
-5.23495
1.132012
-4.222592
other
Al1Mo12S24
37
156
682.68
mp-1221643
-4.700408
-1.249382
-5.615303
other
Mn1Cd1S2
4
156
95.38
mp-1221575
10.740422
9.324019
0.23492
other
Mn4Zn16O20
40
156
486.7
mp-1023959
-8.339436
2.433647
-4.111529
other
Te2Mo2S2
6
156
233.41
mp-1040938
6.800048
13.567746
-1.693026
other
Mg6Co12O24
42
156
452.08
mp-1221905
10.680286
8.845252
0.751084
other
Mg1Zn1O2
4
156
49.3
mp-757494
11.167313
11.274895
-2.587891
other
K3W12O36
51
156
756.2
mp-1041154
6.21345
12.590244
-1.379263
other
Zn6Ni12O24
42
156
436.36
mp-1218061
-6.319436
-1.140698
4.205226
other
Ta3Al1Cr8
12
156
163.72
mp-25222
8.945899
14.821474
-0.343605
other
Li1Mn1O2
4
156
36.76
mp-1225697
-4.059849
-2.559531
-3.409558
other
Cu1P1Se2
4
156
91.15
mp-22965
-5.967439
-3.249854
-1.932984
other
Bi1Te1I1
3
156
120.86
mp-1218858
-6.151904
-6.819842
3.738672
other
Sr2Al1In3
6
156
172.09
mp-1028487
-6.161562
2.27535
-5.567442
other
W4Se2S6
12
156
314.43
mp-1173121
-4.476452
-3.938707
-3.889894
other
Tb1Cu1Se2
4
156
92.7
mp-1041000
6.221677
12.696235
-1.329995
other
Mg6Ni12O24
42
156
433.35
mp-1041004
11.530826
13.0002
-0.166602
other
Mg6Cr12O24
42
156
458.56
mp-1222627
-6.065817
-6.208091
3.521415
other
Li2Zn1Ge3
6
156
105.17
mp-637614
-4.241631
-1.465907
-6.083604
other
Zn3In2S6
11
156
248.22
mp-33723
-5.788367
-3.29867
-2.381729
other
Bi1Te1Br1
3
156
109.5
mp-1044657
7.293827
11.265013
-0.881135
other
Mg6Cu12O24
42
156
440.89
mp-1217505
-7.253235
-6.83021
4.032087
other
Tm6Ag4Pb8
18
156
496.56
mp-1025587
-9.958709
2.440557
-4.177747
other
Te4W3S2
9
156
321.88
mp-1218043
-7.473126
-1.726905
2.755801
other
Ta3Si1Ni8
12
156
151.09
mp-1027608
-5.448733
1.53617
-4.459962
other
Mo4Se2S6
12
156
315.4
mp-1222987
2.939381
-0.548231
-1.759637
other
La1Ni5H6
12
156
102.26
mp-7885
-4.314898
-1.301845
-5.899334
other
Al1Ag1S2
4
156
74.87
mp-1225675
-2.629119
-0.602839
-5.164008
other
Cu1P1S2
4
156
77.63
mp-1048893
7.062478
10.689911
-0.582557
other
Ca6Cu12O24
42
156
510.62
mp-754912
7.372331
12.424038
-0.834785
other
Li1Cu1O2
4
156
38.85
mp-1025577
-6.229205
2.244307
-5.584447
other
W3Se2S4
9
156
256.83
mp-1028769
-7.02269
2.160941
-5.513088
other
W4Se6S2
12
156
350.35
mp-1225597
-7.960305
-4.82906
5.498373
other
Er2Ga3Cu1
6
156
114.19
mp-1219001
-8.317225
-5.150026
2.203222
other
Sn2Pd2Au1
5
156
101.53
mp-849574
9.16563
1.194878
-0.486931
other
Li2Fe16F66
84
159
1,244.45
mp-1226055
-1.584386
2.770544
-5.043004
other
Cs4W12Br28
44
159
1,440.89
mp-1661936
11.650153
13.655489
-1.922586
other
Mg4V6O16
26
159
288.1
mp-781739
9.97292
2.419195
0.372976
other
Li2V16F66
84
159
1,261.13
mp-29793
12.196628
12.428499
-2.196945
other
Na12V18O42
72
159
1,034.96
mp-1030015
1.114618
2.554821
1.814603
other
Mg108W36N144
288
159
3,998.47
mp-1205225
7.503455
8.102589
-3.608824
other
Fe6P12O54
72
159
1,271.84
mp-1197107
8.612256
1.619905
0.718991
other
Cs2Ti16F66
84
159
1,353.89
mp-36235
-1.325087
1.831019
-2.016223
other
Na2Sc4I12
18
159
699.3
mp-1245480
1.083553
2.556994
1.822596
other
Mg54Mo18N72
144
159
1,977.89
mp-680015
-1.980548
0.976205
-3.913112
other
Re12Se28Br28
68
159
2,081.03
mp-707874
3.275736
-0.790479
-2.460716
other
Ba14Cu6H34
54
159
907.68
mp-1030245
1.356705
2.010409
1.583448
other
Ca54Re18N72
144
159
2,373.83
mp-1213572
0.646873
3.732542
-5.455229
other
Cs4W12Cl28
44
159
1,379.53
mp-765136
10.10975
0.66575
-0.220571
other
Li2Mn16F66
84
159
1,183.89
mp-1213536
0.789521
3.459615
-4.903806
other
Cs4Mo12Cl28
44
159
1,238.78
mp-29599
-1.593552
1.19539
-4.347409
other
Re12S28Br28
68
159
2,242.43
mp-26284
10.132917
8.158411
-7.064568
other
Mn6P6O24
36
159
457.61
mp-504335
13.14403
8.181233
-7.158264
other
Cr6P6O24
36
159
446.79
mp-780844
9.994722
2.422572
0.39294
other
Li2V16F66
84
159
1,235.95