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-37710
-4.402597
-2.973595
-3.80728
other
Tl1Sb1Se2
4
25
112.29
mp-1048685
11.083394
12.645533
-3.521013
other
Ca1V4O10
15
25
214.85
mp-1220340
-7.414579
-4.446315
5.029116
other
Nd2Ge3Pd1
6
25
132.81
mp-1225735
-3.515078
-3.914972
0.663036
other
Cu1Ge2P3
6
25
151.51
mp-1225662
-8.227727
-5.832469
6.151995
other
Er4Si1Ni3
8
25
160.5
mp-1219401
-5.612521
-3.784016
-1.006737
other
Sm4U2Te10
16
25
517.96
mp-1223749
-8.090844
-2.246552
2.495507
other
In3Ni6Sn3
12
25
204.13
mp-1220389
-7.522552
-4.052398
5.328692
other
Nd2Ge3Rh1
6
25
133.54
mp-1217130
-7.124957
-2.684143
3.645539
other
Ti2Cu1Ni1
4
25
55.25
mp-676038
-3.701997
-3.359386
-0.636323
other
Ga5P3S3
11
25
232.83
mp-1048511
6.682818
11.69624
0.869549
other
Ba2Mn3O7
12
25
194.79
mp-1216947
-7.159483
-3.782281
4.3646
other
U2Ga3Cu1
6
25
111.37
mp-1221759
-7.845482
-5.730936
2.516639
other
Mn4Hg3Au1
8
25
144.35
mp-1219415
-7.352829
-5.843338
4.001468
other
Sm4Fe1Sn8
13
25
337.13
mp-1219409
-4.816065
-3.948689
6.002146
other
Sc4Si7Ni1
12
25
196.58
mp-1224354
-5.285003
-3.31845
4.663293
other
Hf4Cu1Si3
8
25
138.18
mp-1222770
-7.044538
-4.139713
5.273793
other
Lu4Ge8Rh1
13
25
259.69
mp-1216862
-5.164289
-3.320101
5.035828
other
U2Si3Au1
6
25
116.26
mp-1228128
-6.574096
-6.393648
2.594333
other
Ba3Sr1Sn12
16
25
509.86
mp-1393378
11.021315
12.683345
-3.634918
other
V4Zn1O10
15
25
201.6
mp-1216723
-3.149297
0.514471
2.669099
other
U4B3C5
12
25
142.33
mp-1215425
-5.425494
-2.915956
3.321602
other
Zr9Ti3P4
16
25
324.16
mp-758051
8.079065
11.120385
-0.415582
other
Mg7Cu17O24
48
25
493.56
mp-1228818
-3.963732
0.469511
2.738801
other
Al1W1C1
3
25
39.18
mp-1217975
-4.858323
-0.141392
3.178343
other
Ta3Ti1B4
8
25
88.57
mp-1223122
-8.618606
-6.176664
2.766876
other
La2Sb1Au3
6
25
157.19
mp-1227571
-6.087385
-6.852148
3.22522
other
Ca4Ga1Sn3
8
25
235.75
mp-1228487
9.147935
8.750048
1.715149
other
Ba2In2O5
9
25
157.36
mp-1225734
-7.232585
-5.619093
3.749312
other
Dy4Co1Sn8
13
25
326.16
mp-1227017
-6.850816
-6.950213
3.546393
other
Ca4Zn1Ag3
8
25
214.96
mp-1220633
-7.430483
-5.544433
3.804171
other
Nd4Sn8Ir1
13
25
357.23
mp-1216493
-5.299766
0.573468
3.115846
other
V3Cr3B8
14
25
113.76
mp-1224200
-7.067377
-4.182686
5.274873
other
Ho4Ge8Rh1
13
25
271.32
mp-1223291
-9.07396
-5.110401
4.50655
other
La2Cu3Ni1
6
25
120.89
mp-1048204
7.827433
8.534919
-0.21561
other
Ba2Bi3O7
12
25
237.28
mp-1221667
-6.089125
-3.34985
-2.341483
other
Mn1Cd3Te4
8
25
275.21
mp-990086
-5.16124
1.404527
-4.391737
other
Mo18H2S36
56
25
1,811.37
mp-757324
10.559245
9.778013
3.936038
other
Ce2Zr12O28
42
25
501.8
mp-1219341
-8.18321
-6.310052
5.375957
other
Sm2In3Cu1
6
25
148.34
mp-1222596
-7.01092
-4.042461
5.388134
other
Lu4Fe1Ge8
13
25
253.8
mp-1094099
5.810573
11.082957
-0.026665
other
Sr10Fe10O27
47
25
602.58
mp-1224312
-7.239237
-3.906507
4.995703
other
Ho4Ni3Ge12
19
25
358.7
mp-1216215
-7.302806
-5.70595
3.774758
other
Y4Ni1Sn8
13
25
328.47
mp-1224942
-8.157095
-5.500631
5.877931
other
Gd3Er1Ni4
8
25
159.38
mp-1215408
-5.460115
-2.75668
3.44868
other
Zr3Ti3P2
8
25
150.71
mp-1222100
-5.793204
-3.501795
-2.545698
other
Mg4Te3S1
8
25
250.47
mp-995434
-7.143437
0.628711
3.749987
other
Fe11Mo1C4
16
25
165.59
mp-1221519
0.411989
2.211161
2.388314
other
Mo2C1N1
4
25
40.8
mp-1223726
-8.403493
-0.824422
4.6613
other
La1Y1Co10
12
25
191.32
mp-1227558
-4.070557
-5.361153
5.427053
other
Ca4Ga1Si3
8
25
195.47
mp-1216597
-5.357622
-3.330679
5.186925
other
U2Si3Os1
6
25
109.17
mp-1223846
-6.403207
-4.589849
5.750556
other
Ho4Si1Ge3
8
25
174.91
mp-1228839
-4.422589
0.157797
2.811075
other
Al1W3C4
8
25
84.63
mp-1226042
-7.276398
-5.699769
3.882534
other
Dy4Fe1Sn8
13
25
325.49
mp-1217655
-7.597544
-3.554968
4.991091
other
Tb4Ni3Ge8
15
25
281.74
mp-1220778
-7.346774
-5.852362
4.022603
other
Nd4Mn1Sn8
13
25
355.66
mp-1217097
-7.701141
-3.885197
2.949034
other
Ti2Ni1Pd1
4
25
59.01
mp-1216568
-5.435051
-3.209882
4.993141
other
U2Si3Ir1
6
25
109.97
mp-1216879
-5.28075
-3.180063
4.964174
other
U2Si3Ni1
6
25
105.73
mp-1224206
-7.062882
-4.086251
5.331879
other
Ho4Ge8Ru1
13
25
268.47
mp-2227663
7.906879
10.555696
-3.561742
other
Mg1Cr4O10
15
25
193.2
mp-1063495
1.754646
2.442263
-3.748846
other
Hg1Br1N1
3
25
83.59
mp-1220111
-5.677567
-2.510358
-2.397183
other
Ni3Bi2S2
7
25
131.17
mp-1216173
-8.092274
-6.286893
5.311462
other
Y2In3Cu1
6
25
142.75
mp-1218328
-6.03954
-6.929946
3.182531
other
Sr4Ga1Sn3
8
25
277.93
mp-1223513
-4.13567
-1.38721
-5.469818
other
K1Cu1S3
5
25
109.32
mp-2224251
8.875337
14.822887
-0.381031
other
Mg1Mn2O4
7
25
77.87
mp-1224249
-6.939599
-4.229198
5.336658
other
Ho4Re1Ge8
13
25
273.11
mp-2977
-6.118293
-2.963103
-2.388967
other
Cu1Ag1Te2
4
25
102.85
mp-1217738
-8.177739
-6.152082
5.246041
other
Tb2In3Cu1
6
25
143.92
mp-1225733
-8.97676
-4.626669
3.208464
other
Cu6Sn1Ge1
8
25
109.85
mp-1221699
-5.316207
0.398611
3.18461
other
Mn1B4W3
8
25
79.78
mp-1225061
-8.806476
-5.104696
4.841954
original
Er2Cu3Si1
6
25
107.69
mp-2232972
-5.092597
-0.169869
-5.688293
other
Mg1Cr4S10
15
25
336.44
mp-1219337
-7.287612
-5.844337
3.830808
other
Sm4Cu1Sn8
13
25
340.15
mp-1216928
-6.997785
-4.454746
5.289854
other
Tm4Cu1Ge8
13
25
259.51
mp-1220448
-8.182726
-6.181491
5.451186
other
Nd2In3Ni1
6
25
151.21
mp-1225557
-5.008986
-4.495386
5.995611
other
La4Ga1Si3
8
25
211.72
mp-1217370
-7.771276
-1.627451
2.776917
other
Ti1Nb3Ni12
16
25
194.12
mp-1221739
-6.566672
-3.384009
0.723135
other
Mn4Bi1Sb3
8
25
169.52
mp-766222
10.752178
10.093201
3.849532
other
Zr11V1O24
36
25
420.27
mp-989401
0.852253
2.409092
1.919777
other
Ca2Mo2N6
10
25
134.27
mp-1217001
-3.145722
-2.727478
-3.915351
other
U6Ti2S12
20
26
400.94
mp-1216761
-4.472013
-0.187987
-4.143649
other
Ti2V2S4
8
26
115.88
mp-559609
14.179502
6.922234
-2.553522
other
Fe16B8O32
56
26
551.77
mp-674463
12.267043
5.424529
-2.46226
other
Al2H2O4
8
26
58.23
mp-1100365
-3.407254
-1.641024
-5.705512
other
Ca4Sn4S12
20
26
527.07
mp-1193975
8.461823
7.942758
-1.806003
other
Pb12Br4O12
28
26
693.96
mp-1220988
-3.489759
-2.033734
-5.488811
other
Na2Tl6S4
12
26
388.37
mp-1208070
8.921445
2.38612
1.933465
other
U6Tl2F26
34
26
495.05
mp-1094147
8.333251
14.710836
-1.06629
other
Na8Mn18O36
62
26
714.45
mp-752975
13.308238
0.407488
0.828725
other
Fe4O4F4
12
26
133.4
mp-1216144
-7.577851
-6.373568
6.688975
other
Y12Co2Ni2
16
26
401.21
mp-1216310
-5.837148
-1.582056
2.219013
other
V2Mo2As4
8
26
127.07
mp-1228858
12.655989
7.256891
0.608761
other
Al16Si2O28
46
26
538.98
mp-866684
8.498764
1.22746
1.652351
other
Rb2Th6F26
34
26
509.22
mp-1227512
-4.230391
-2.350136
-4.482165
other
Bi8Se6S6
20
26
556.63
mp-20940
10.726355
11.996891
2.098342
other
Ti4Cd4O12
20
26
229.44
mp-1101020
8.545046
1.336262
1.177602
other
Ti2Tl10F18
30
26
568.98
mp-1214466
2.110769
2.591912
-3.635795
other
Cd4I12N8
24
26
859.44