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-695946
8.065658
1.724922
-4.41939
other
Ni1H16C4S4N8Cl2
35
79
425.03
mp-1221251
7.502761
5.835606
-4.857844
other
Na4Ni1Ag2S8N5O12
32
79
577.04
mp-1236222
11.467542
3.985327
-3.659258
other
Li1Cu2B2H8Cl2O8
23
81
222.38
mp-42805
8.96621
1.595867
-4.126837
other
K1Cu2H20N3Cl8O4
38
81
472.34
mp-43188
12.855016
6.215334
-0.560782
other
Na8Be1Al4Si7Br2O24
46
81
743.7
mp-42583
12.90689
6.182678
-0.612781
other
Na8Be1Al4Si7Cl2O24
46
81
729.66
mp-604773
10.524669
3.770578
-4.512531
other
Mo8P9H56N12Cl1O56
142
81
1,431.76
mp-554710
5.38393
3.050029
-3.619394
other
Ag1As1C4S8N4F6
24
81
507.26
mp-1234759
11.551875
4.028377
-3.53677
other
Mg1Cu2B2H8Cl2O8
23
81
231.38
mp-1233800
11.552939
4.025292
-3.56076
other
Ca1Cu2B2H8Cl2O8
23
81
246.45
mp-43030
12.650976
6.414612
-0.320102
other
Na4Li4Al6Si6Cl2O24
46
81
668.74
mp-2230600
14.077199
8.614849
-5.110075
other
K2Mg1Mo2P2Cl2O10
19
8
330.41
mp-2219470
-9.702628
2.756713
-4.353171
other
Mg1Te4Mo2W2Se2S2
13
8
385.98
mp-2218872
-9.80563
2.774176
-4.296803
other
Mg1Te4Mo2W2Se2S2
13
8
447.01
mp-2232285
11.6415
11.580734
-1.912528
other
K2Rb1Tb1Mg1V2O8
15
8
257.03
mp-2231270
9.415471
6.832501
-4.677929
other
Na1Mg1Cr2In1H4O10
19
8
241.03
mp-1233466
12.059361
6.151305
-6.319233
other
Ba1Mg1Al3P2H2O14
23
8
275.53
mp-1236170
12.265169
5.631048
-6.189783
other
Ba1Li1Al3P2H2O14
23
8
284.46
mp-2226961
-9.72128
2.756829
-4.330374
other
Mg1Te4Mo2W2Se2S2
13
8
386.23
mp-720985
12.055225
8.351952
1.643278
other
Ca1Er15Si8Se11Cl1O28
64
8
973.84
mp-2230812
11.950087
11.259346
-1.454195
other
Mg1Ti2Tl2W2O10F2
19
8
295.61
mp-721034
11.930473
7.056438
-2.402889
other
Na1Fe9Si6B3H2O31
52
8
590.27
mp-1235093
9.834438
10.001267
2.778703
other
Ba6Li1Nb2Ir1Cl2O12
24
8
482.52
mp-2240744
9.119946
2.073666
1.97673
other
K2Na1Mg1V1O1F5
11
8
190.87
mp-1235990
9.44125
6.007426
-4.068189
other
K1Li1Ni2H3Se2O10
19
8
230.08
mp-1233858
9.59146
6.079267
-3.991177
other
K1Mg1Ni2H3Se2O10
19
8
238.18
mp-698449
8.713964
1.943899
-4.476368
other
P2H24C4N12O6F2
50
8
505.57
mp-1218662
7.969978
10.625781
1.901013
other
Sr6Ce2Y4Fe3Cu3O24
42
8
565.99
mp-2230366
14.479536
7.902461
-3.899371
other
Na3Mg1Ti2P2O10F1
19
8
227.13
mp-1233007
12.295768
5.590688
-6.225444
other
Ba1Li1Al3P2H2O14
23
8
280.42
mp-534935
2.960738
2.34652
1.753412
other
Sr3Pr10Al12Si18N36O18
97
8
1,237.42
mp-1200158
9.761128
7.320817
-2.489952
other
K2Ba1Na2Ti4Si8O32
49
8
708.03
mp-2226719
11.677873
11.698721
-2.326955
other
Cs2Mg1Mn1V2Br2O6
14
8
316.98
mp-2219524
-9.745522
2.683277
-4.316731
other
Mg1Te4Mo2W2Se2S2
13
8
437.03
mp-1233519
10.042057
9.906284
2.658895
other
Ba6Ca1Nb2Ir1Cl2O12
24
8
502.99
mp-1236071
10.281645
4.239601
-6.093855
other
Rb1Li1Cu2H3S2O10
19
8
246.26
mp-1233485
6.62582
4.91383
-4.474409
other
K2Ba1Mg1Co1N6O12
23
8
344.11
mp-2226909
-9.15513
2.702939
-4.193593
other
Mg1Te4Mo3W1Se2S2
13
8
383.24
mp-2219736
-8.164929
2.967307
-5.159022
other
Mg1Te2Mo2W2Se4S2
13
8
369.8
mp-1233156
9.684361
6.022268
-4.061691
other
K1Mg1Ni2H3Se2O10
19
8
230.2
mp-1227763
8.006787
9.972165
1.754491
other
Ba1Sr2Y2Cu2Pt1O10
18
8
256.19
mp-2231705
8.885366
1.198967
1.244473
other
Cs2Mg1Ti2Cu2O2F10
19
8
320.83
mp-1574878
9.57182
3.679064
-8.316403
other
Na10Li2Co4P4C4O28
52
8
619.44
mp-1173819
12.109134
5.099437
-5.493336
other
Na3Cd4P6H10Cl3O24
50
8
639.19
mp-1235066
9.934341
9.966601
2.691811
other
Ba6Li1Nb2Ir1Cl2O12
24
8
489.82
mp-2230132
12.474553
11.909456
-1.253615
other
K2Mg1Mn3V2H2O10
20
8
268.39
mp-2223324
-8.06671
3.107837
-5.179565
other
Mg1Te2Mo2W1Se2S2
10
8
300.31
mp-1235514
6.525369
4.89889
-4.463128
other
K2Ba1Li1Co1N6O12
23
8
339.4
mp-1235304
9.484117
5.932346
-4.115006
other
K1Li1Ni2H3Se2O10
19
8
224.28
mp-2240162
8.768857
1.702107
1.656923
other
K2Na1Mg1Ti1O1F5
11
8
200.25
mp-1227953
8.924434
0.911316
1.455864
other
Ba1Na2Sr6Al6O2F32
49
8
660.02
mp-1227647
7.887137
9.632099
1.582935
original
Ba1Sr1Y1Cu3Pb1O7
14
8
209.28
mp-2232297
11.58909
11.525787
-1.939694
other
K2Rb1Tb1Mg1V2O8
15
8
266.48
mp-2222927
10.396131
10.059752
1.582097
other
Ba1Y1Mg1Fe1Cu1O5
10
8
166.64
mp-2228050
11.654773
11.502927
-1.839459
other
K2Rb1Gd1Mg1V2O8
15
8
260.48
mp-2216297
10.270424
9.875834
2.516559
other
Ba6Mg1Nb2Ir1Cl2O12
24
8
494.13
mp-2218961
-9.228612
2.689944
-4.16414
other
Mg1Te4Mo3W1Se2S2
13
8
444.75
mp-1235768
9.984269
9.952887
2.678352
other
Ba6Li1Nb2Ir1Cl2O12
24
8
488.61
mp-2219365
-9.193762
2.667836
-4.182086
other
Mg1Te4Mo3W1Se2S2
13
8
428.92
mp-2230484
11.83151
11.269761
-1.449618
other
Mg1Ti2Tl2W2O10F2
19
8
289.74
mp-1233107
10.511583
9.942643
2.375614
other
Ba6Mg1Nb2Ir1Cl2O12
24
8
493.5
mp-1218883
7.46187
10.547791
1.149167
other
Sr2Ce1Eu1Cu2Ru1O10
17
8
219.83
mp-1233827
11.275361
6.586705
-5.813822
other
Ba1Mg1Al3P2H2O14
23
8
268.29
mp-1236326
11.123506
11.634362
-2.598356
other
Ba1Li1V2Ni3H2O10
19
8
223.26
mp-1227954
9.582994
14.280169
-0.285574
other
Ca1Mn25Fe1Si4Sb1O44
76
8
905.51
mp-2241208
9.213498
2.114358
1.970292
other
K2Na1Mg1V1O1F5
11
8
175.59
mp-1224991
12.162962
6.822437
-0.890446
other
K2Na2Ca4Mg15Si24O72
119
8
1,433.81
mp-1260118
2.941749
2.316786
1.740369
other
Sr3Nd10Al12Si18N36O18
97
8
1,231.92
mp-1213673
12.724959
9.821038
-0.884245
other
Cs1Li1H4W2S1O3
12
8
206.43
mp-2219077
-7.88992
2.858837
-4.923463
other
Mg1Te2Mo3W1Se4S2
13
8
367.7
mp-1233666
8.940715
1.943779
2.00797
other
Ba6Mg1Sc2C2O6F14
31
8
527.3
mp-1235256
12.161057
5.763416
-6.245422
other
Ba1Li1Al3P2H2O14
23
8
270.23
mp-705517
9.242926
2.908091
-4.244883
other
Cs1Co1H18N6Cl4O8
38
8
517.14
mp-2227211
8.973841
2.03921
1.966602
other
K2Na1Mg1Ti1O1F5
11
8
195.92
mp-1235580
11.118237
11.69362
-2.506737
other
Ba1Li1V2Ni3H2O10
19
8
217.24
mp-1234659
9.931856
10.005675
2.881916
other
Ba6Mg1Nb2Ir1Cl2O12
24
8
497.75
mp-2219437
-7.849643
2.810069
-4.921857
other
Mg1Te2Mo3W1Se4S2
13
8
367.26
mp-1233091
11.65987
6.453317
-6.148083
other
Ba1Mg1Al3P2H2O14
23
8
297.16
mp-2231355
11.51354
9.662036
2.404803
other
K2Na2Sm2Mg1Nb2O10
19
8
312.36
mp-1233025
9.495422
6.117972
-3.989231
other
K1Mg1Ni2H3Se2O10
19
8
265.81
mp-720118
2.942078
2.316309
1.740483
other
Sr3Nd10Al12Si18N36O18
97
8
1,231.87
mp-2222904
-8.383238
3.236454
-5.52371
other
Mg1Te2Mo1W2Se2S2
10
8
349.93
mp-2240667
-8.358168
3.272197
-5.510649
other
Mg1Te2Mo1W2Se2S2
10
8
298.4
mp-2232079
11.480384
9.625326
2.418852
other
K2Na2Pr2Mg1Nb2O10
19
8
310.75
mp-2219730
-9.147742
2.713773
-4.193058
other
Mg1Te4Mo3W1Se2S2
13
8
383.65
mp-1218790
8.619981
9.703963
1.58574
other
Sr4Y2Ga1Cu5Pb4O16
32
8
474.41
mp-2231186
13.999815
8.502201
-5.119308
other
Rb2Mg1Mo2P2Cl2O10
19
8
332.96
mp-2219461
-8.151576
2.9599
-5.148694
other
Mg1Te2Mo2W2Se4S2
13
8
366.67
mp-1232980
9.994636
9.974535
2.652798
other
Ba6Li1Nb2Ir1Cl2O12
24
8
484.48
mp-1235974
10.335869
4.153756
-6.02273
other
Rb1Li1Cu2H3S2O10
19
8
232.37
mp-1235688
10.347116
4.14224
-5.985264
other
Rb1Li1Cu2H3S2O10
19
8
220.34
mp-1233113
11.153285
6.584071
-5.672406
other
Ba1Ca1Al3P2H2O14
23
8
264.04
mp-2240513
-8.121716
3.116862
-5.223641
other
Mg1Te2Mo2W1Se2S2
10
8
345.54
mp-2216178
10.161346
10.001025
2.63616
other
Ba6Mg1Nb2Ir1Cl2O12
24
8
476.17
mp-2219202
-9.765326
2.80348
-4.305572
other
Mg1Te4Mo2W2Se2S2
13
8
384.58
mp-2240507
6.250531
6.152989
0.135538
other
Sr2Mg1Cu1Ag2S2O2
10
8
193.88
mp-1201289
8.973002
3.437566
-5.596231
other
K2Ca1Zr1H16C8O24
52
82
597.91
mp-698292
8.997412
3.449521
-5.63528
other
K2Zr1Cd1H16C8O24
52
82
586.07
mp-23151
12.864794
6.261916
-0.631632
other
Na4Be1Al1Si4Cl1O12
23
82
341.52
mp-2218200
8.47637
1.430023
-4.295044
other
Mg1Ag1H4W1S4N1
12
82
199.54