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-734937
7.51957
5.175179
-2.158934
other
Na5Te2H36Au1O28
72
2
675.41
mp-644028
11.1957
7.707617
-5.026116
other
Fe2Cu1As2H2O10
17
2
197.68
mp-776954
14.170541
7.244571
-6.422489
other
Li4Mn2P2H2O10
20
2
207.63
mp-1225696
8.752594
8.24897
-4.24589
other
Fe3Co1Bi4As4O24
36
2
486.97
mp-1414055
7.353846
5.538952
-2.433572
other
K2Cr2Cd1H4O10
19
2
260.47
mp-1212587
7.087156
2.218576
-4.000183
other
H6C16N4Cl6O4
36
2
637.29
mp-2223089
9.526755
8.668773
2.166178
other
Ba2Lu1Mg1Bi1O6
11
2
190.92
mp-818579
8.798673
1.295436
-0.164744
other
K4Fe4Pb4O4F24
40
2
685.29
mp-1195902
9.323769
3.166614
-4.779953
other
H24Pb4C8S8O28
72
2
910.88
mp-1176422
8.566536
5.370582
-7.729177
other
Na6Mn4P4C4O28
46
2
619.17
mp-1222075
7.402512
3.775137
-3.497085
other
Mg1C2S2O2F2
9
2
182.14
mp-1190428
9.589162
2.947432
-4.647305
other
Hg1H10C2S2O8
23
2
258.14
mp-1238696
10.233859
3.042254
-4.749395
other
Fe4H40S8N16O32
100
2
931.41
mp-2222770
10.437806
9.187898
1.514782
other
Sr2Mg1Ga1Sb1O6
11
2
175.66
mp-1173642
12.34141
7.707267
-7.074742
other
Na6Mn6Fe6P12O48
78
2
1,195.14
mp-1229133
12.587422
5.277753
-5.574084
other
Cs2P2H2O6F2
14
2
244.79
mp-782002
10.098774
3.74545
-5.105143
other
Sm2H16S6N6O20
50
2
561.12
mp-1354499
7.070935
4.513549
-3.5367
other
H18C12N20Cl2O10
62
2
628.46
mp-1237578
9.901387
3.05655
-2.9492
other
Zn1Sn2H12O6F6
27
2
327.59
mp-1238576
11.859429
4.768527
-4.834155
other
Li2Mn2P6H20O28
58
2
652.26
mp-768653
8.623721
5.592906
-7.74409
other
Li6Fe4P4C4O28
46
2
555.53
mp-1172939
10.702185
4.417943
-5.906774
other
Na2Mg4H6S4O16
32
2
370.04
mp-1202845
7.848236
0.090722
-4.554266
other
Li2Cu4Si24H162C54
246
2
2,955.86
mp-819752
7.677563
4.764927
-2.058561
other
V8H64C16N8O24
120
2
1,187.81
mp-1238599
8.462461
2.695067
-4.621702
other
H18C6N12Cl2O10
48
2
482.17
mp-777547
14.808224
8.243848
-4.361671
other
Li4V2P2H2O10
20
2
205.64
mp-1522279
5.966129
8.488369
-0.101197
other
Ba2Ca2La2Bi2O12
20
2
331.02
mp-1522546
9.838675
9.72162
3.542827
other
Ba2Ca2Sm2Nb2O12
20
2
302.69
mp-1238261
5.812756
3.706227
-4.05933
other
Fe2C8S4N6O10
30
2
620.94
mp-1202003
6.383062
3.807001
-3.979298
other
Co1C12N8Cl2O10
33
2
539.03
mp-758339
11.444632
5.588531
-3.560164
other
Li2Mn6Al4H12O24
48
2
435.69
mp-1238408
9.604923
3.934487
-5.162172
other
Ba2Al4H20C4O26
56
2
721.29
mp-2229658
4.270351
2.821358
-3.963614
other
Mg1V2S4Br4N6
17
2
393.26
mp-802114
7.628136
5.064579
-2.019475
other
Mn1V1P2H2O10
16
2
170.91
mp-755531
12.848232
6.249831
-6.048685
other
Li2V2P8H8O28
48
2
513.92
mp-1342853
7.538119
5.182461
-1.852606
other
Sr2Zn2Co2P4O16
26
2
323.91
mp-1194884
7.707123
1.338037
-4.333956
other
H84C96Xe2Cl6O12
200
2
2,311.12
mp-1200008
11.53565
4.482824
-5.123623
other
Pu4P8H16C4O28
60
2
686.85
mp-695966
11.045997
4.699122
-4.924697
other
Cu2P6H24N2O26
60
2
649.68
mp-24505
11.451143
4.190045
-4.56727
other
Mg1Al2P2H18O18
41
2
340.23
mp-1201428
8.616145
2.354739
-4.662001
other
V10H56C16N26O34
142
2
1,474.16
mp-768583
14.588161
8.054056
-7.093118
other
Li8Mn2V2P6O24
42
2
490.28
mp-1045114
12.810172
10.445807
-0.924243
other
Al2V6Se4Cl2O16
30
2
514.62
mp-1192612
9.537266
6.823397
-3.614837
other
Rb2Zn4H2Se4O14
26
2
425.87
mp-647342
3.297558
2.865352
-4.243729
other
Sb2P6C2N6Cl30
46
2
1,240.25
mp-1227154
12.564796
6.508004
-0.617831
other
Ca4Zr1Ti3Si4O20
32
2
391.11
mp-1418671
7.63733
5.229162
-2.000693
other
K2Mg1Mo2H4O10
19
2
265.39
mp-1193266
8.090369
0.599019
-4.517989
other
Al2H16C6N2Cl4
30
2
458.53
mp-1196322
8.958426
8.230562
-3.929709
other
Ca1Cu10Te4As4O34
53
2
763.23
mp-1518915
11.43098
10.059727
1.306305
other
Ba2Ce2Eu2W2O12
20
2
312.02
mp-753646
10.289032
8.158718
-6.596988
other
V2Fe2P4H4O20
32
2
359.84
mp-743514
8.628793
5.126513
-4.110302
other
Na6V2H22I2O26
58
2
746.65
mp-1518778
11.081521
10.518412
1.287419
other
Ba2Sr2Tb2W2O12
20
2
301.86
mp-601334
8.282369
9.77788
-3.721369
other
K2Cr4Co1H4O16
27
2
385.59
mp-1201894
8.17904
0.693204
-4.437968
other
P4H34C12N2O4
56
2
485.35
mp-866480
10.737922
8.075614
-3.855752
other
Co2Mo2H4Se2O14
24
2
284.48
mp-2229780
4.121614
2.772765
-4.097394
other
Mg1V2S4N6Cl4
17
2
349.16
mp-555094
11.631791
4.555254
-5.000642
other
Pr2P2H10C2O14
30
2
352.97
mp-1195183
8.021049
1.79702
-4.534946
other
H26Pd4Pt1C22O16
69
2
906.85
mp-1181132
7.553721
5.190997
-5.415776
other
K6Na2Ce2C6O30
46
2
753.96
mp-1225639
11.472568
4.738153
-5.12991
other
Fe3P6H18N3O24
54
2
506.53
mp-1238949
8.05309
1.73469
-4.431499
other
H14C4S2Br2N8
30
2
368.7
mp-761179
12.059521
5.069631
-5.262288
other
K4Ni2P8H16O32
62
2
745.66
mp-1335638
8.050637
5.235732
-1.890687
other
Sr2Ca2Sn2P4O16
26
2
375.92
mp-1203194
8.740587
1.992331
-4.606494
other
H38C12S4N10O20
84
2
945.14
mp-1177673
8.618241
5.581646
-7.749654
other
Li6Fe4P4C4O28
46
2
548.86
mp-1204530
7.920482
1.887092
-4.456161
other
Fe1H12C4S4N10
31
2
399.87
mp-694989
11.090236
7.789932
3.079906
other
Sr2Nd10Fe12As12O12
48
2
942.24
mp-652744
5.650671
3.32638
-4.709317
other
P2Os12C36Cl2O36
88
2
1,531.06
mp-698424
8.035272
1.419448
-4.413854
other
Sb4H12C4S8N4
32
2
630.61
mp-1520652
6.244147
8.505046
0.009812
other
Ba2Sm2Eu2Bi2O12
20
2
336.05
mp-1046419
13.038841
6.457435
-6.512437
other
Sr2Ca2Co2P4O16
26
2
338.96
mp-1225868
-7.751275
1.02761
4.821861
other
Dy2Fe15Co2C1N1
21
2
264.38
mp-850255
12.037959
5.043149
-5.110396
other
Li2Fe2P6H16O26
52
2
588.41
mp-1341934
7.463018
5.081499
-1.853863
other
Sr2Mg2Cu2P4O16
26
2
314.59
mp-2218980
11.818378
10.1779
1.915046
other
K2Na2Mg1Ti2O6
13
2
209.25
mp-1248937
12.76676
10.128622
0.346753
other
Y4Si2Sb2W13O28
49
2
697.02
mp-722318
8.514224
2.937402
-4.844434
other
Tm2H32C8N22O26
90
2
953.27
mp-1233094
8.120302
11.029794
2.1197
other
Sr4Ca1Mn2Ga2O11
20
2
269.96
mp-1102535
4.818927
3.078132
-3.880781
other
Pt1C4S2I2O2
11
2
365.78
mp-780195
13.910272
8.011579
-6.844959
other
Li2V2P6H2O20
32
2
366.06
mp-1199766
7.576473
0.466881
-3.903714
other
Cs4Na4B40H124N28
200
2
2,197.04
mp-23799
12.759195
5.809437
-6.247582
other
Na2Zn2P4H2O14
24
2
270.69
mp-1201322
10.282995
4.899045
-4.220394
other
Ce2Te1Mo6H36O42
87
2
918.41
mp-1580008
12.849815
6.249797
-6.049062
other
Li2V2P8H8O28
48
2
512.22
mp-1222377
9.279724
3.305817
-5.171469
other
Mg3Zn1H24C8O24
60
2
607.79
mp-1256235
12.990726
11.46801
0.074444
other
Al4V13Si2Sb2O28
49
2
583.1
mp-677611
-3.37733
-1.30041
-5.466345
other
Tl2Ag2As4Pb2S10
20
2
507.44
mp-1194806
8.309807
1.075566
-4.575546
other
Zn6H48C24Br16O12
106
2
1,556.03
mp-560322
6.123007
5.242875
-4.529088
other
K4Ru2N6Cl6O10
28
2
566.06
mp-1218944
9.388698
11.394526
0.809203
other
Sr10Mg2Fe3Mo5O30
50
2
641.27
mp-1199674
4.693122
3.174726
-3.900028
other
Pt4C16S8Br8O8
44
2
1,580.3
mp-1227829
8.335882
7.891766
-4.165886
other
Ca4Mg1Co1As4O20
30
2
403.96
mp-1046153
12.737332
6.361829
-6.609556
other
Sr2Mg2Cu2P4O16
26
2
314.59
mp-1200372
8.726249
2.421227
-4.669071
other
H16C4S4N8O8
40
2
429.21
mp-1218905
8.735936
11.393618
0.982962
other
Sr10Mg5Mo4W1O30
50
2
616.52
mp-1523233
10.265649
9.602292
3.43969
other
Sr2Sm2Eu2Nb2O12
20
2
295.92
mp-1201750
7.090954
0.362734
-3.757111
other
B52H108C24S12F16
212
2
2,361.83
mp-1203895
8.590086
1.331531
-4.421791
other
K2Mo4H58C18O22
104
2
1,205.35
mp-615444
5.456017
3.428915
-4.386854
other
Cr2P2C10Br6O10
30
2
647.98