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-1520798
10.260387
10.989102
1.086938
other
Ba2Sr2Eu2W2O12
20
2
317.28
mp-1200390
7.898603
0.168961
-4.528715
other
Zn6Si28H180C60O8
282
2
3,473.84
mp-778389
14.229943
8.482655
-7.227729
other
Li12Mn2V6P12O48
80
2
864.84
mp-1196270
8.564202
2.483153
-4.757354
other
U2H36C14N16O24
92
2
990.29
mp-1046443
14.225909
7.25188
-5.821709
other
Sr2Zn2Fe2P4O16
26
2
326.19
mp-1212753
9.412547
7.117461
-3.504687
other
Fe2Ni3H4Se6O20
35
2
448.96
mp-683668
5.750399
3.439766
-4.686725
other
Mn4In2C20Br2O20
48
2
827.71
mp-1213973
10.173029
3.289599
-4.71468
other
Cd1H10S2N4O8
25
2
294.76
mp-1182011
10.190356
2.542248
-3.903677
other
Cr2H24N6O6F12
50
2
424.03
mp-705898
8.476985
12.668766
-0.747503
other
Ca8V4Fe16Bi4O48
80
2
1,009.75
mp-1193488
11.534038
5.118371
-4.549243
other
Na2Zn2As2H8O12
26
2
298.11
mp-643658
13.152236
5.541321
-6.544384
other
Na3Mg1P2H1O8
15
2
160.52
mp-768935
9.203322
4.075574
-8.717407
other
Li10Mn4P4C4O28
50
2
554.58
mp-1372858
7.627101
5.029567
-1.665801
other
Sr2Mg2Cr2P4O16
26
2
324.49
mp-1200255
11.485506
4.158542
-5.11697
other
Zn8P6H14N4O24
56
2
663.39
mp-1202419
5.845909
3.688069
-3.866026
other
Ca2Re4C10N20O26
62
2
1,283.27
mp-1210224
11.255727
7.455686
-4.308914
other
Na5Cu3As4H1O16
29
2
378.58
mp-779444
15.543503
5.932256
-2.164884
other
Li4Mn2Fe2B4O12
24
2
250.98
mp-1192901
10.720771
6.9795
-6.155965
other
Zn2B2P4Pb2O18
28
2
347.67
mp-2218704
12.228895
10.984632
-1.148031
other
Y1Mg1Ag1W2O8
13
2
181.21
mp-1520996
10.031088
11.145056
1.096964
other
Ba2Ca2Eu2W2O12
20
2
296.52
mp-800105
8.171813
5.3184
-2.357907
other
Li3Fe2P4H1O14
24
2
286.19
mp-669474
7.166985
4.446513
-3.791594
other
Rb4Te4N4O12F16
40
2
661.84
mp-774474
11.683223
9.995437
2.775445
other
Li3Y14Ti14S14O35
80
2
1,180.38
mp-1177876
12.951599
6.260735
-5.970562
other
Li4V4P8H12O34
62
2
658
mp-1429979
7.394423
5.118685
-2.052066
other
K2C2Br2N4O8
18
2
309.35
mp-1103993
4.331502
2.285111
-3.307598
other
K3Tc1C4N4O2
14
2
290.57
mp-1046242
13.841696
6.615481
-5.402022
other
Sr2Ca2Sn2P4O16
26
2
375.92
mp-644334
9.597766
5.676875
-4.280239
other
K8Co4H16Se8O40
76
2
1,015.12
mp-1190341
10.270064
5.262265
-6.111731
other
Nd2Co1Te2S2O14
21
2
313.7
mp-1521621
10.798601
9.698442
2.819705
other
Ba2Gd2Nb2Sn2O12
20
2
306.84
mp-1521109
5.985656
8.58035
-0.171144
other
Sr2Ca2Y2Bi2O12
20
2
298.05
mp-1517703
11.144853
10.364626
1.265376
other
Ba2Sr2La2W2O12
20
2
319.54
mp-1227668
12.09466
7.138664
-0.212222
other
Ca10Zr8Ti2Ge10O50
80
2
1,086.76
mp-746681
8.919716
1.580986
-4.424058
other
V8H64C16N8O24
120
2
1,187.81
mp-1194652
13.347864
4.42293
-2.548261
other
Ba2Ga2B8H6O20
38
2
405.67
mp-769528
8.937932
4.900015
-7.758245
other
Na10Ni4P4C4O28
50
2
612.27
mp-738675
8.15527
0.945973
-4.42915
other
Cu4H36C16S16N4
76
2
1,001.8
mp-556774
6.226814
5.210345
-4.570913
other
K4Os2N6Cl6O10
28
2
564.97
mp-2234076
10.836305
9.715505
1.279312
other
Sr2Mg1Mn1Sb1O6
11
2
168.07
mp-1647864
8.249574
6.434598
-5.626821
other
Na8Co4Si4C4O28
48
2
626.71
mp-1173257
7.705629
10.957954
2.158654
other
Sr4Nd4Mn2Cu2O16
28
2
373.98
mp-1287635
14.419401
7.641055
-5.465036
other
Na2Fe4P4H2O16
28
2
390.58
mp-1211923
10.241092
4.427554
-4.927658
other
K4Te2H12S2O20
40
2
493.45
mp-1193301
14.431573
7.629889
-5.437612
other
Na2Fe4P4H2O16
28
2
398.36
mp-683929
-3.094967
0.35638
-3.543149
other
Cs8Re12C8S18N8
54
2
1,380.11
mp-2223894
8.035851
10.769652
0.820531
other
Sr2Mg1Ni1Ir1O6
11
2
145.6
mp-24752
10.93794
4.466026
-4.574274
other
Mg1Fe2P2H18O18
41
2
362.09
mp-754968
9.628608
3.720979
-8.367136
other
Li12Fe4P4C4O28
52
2
561.58
mp-1518037
11.289314
9.904467
2.288715
other
Ba2Eu2Nb2Sb2O12
20
2
303.23
mp-849424
13.453286
6.519756
-5.652653
other
Li2Cu4P6H4O20
36
2
419.61
mp-707406
11.452025
4.758051
-4.733205
other
Rb6Te3P6H26O40
81
2
1,000.77
mp-1203024
8.207007
2.323775
-1.234354
other
Sb4Ir2C6O6F26
44
2
769.12
mp-1647971
12.851207
6.25109
-6.049003
other
Li2V2P8H8O28
48
2
514.07
mp-1518927
7.12746
8.444185
0.765916
other
Ba2Sr2Ce2Bi2O12
20
2
338.59
mp-1210566
10.202452
3.162754
-4.102497
other
Na4Sn2H28S6O14
54
2
690.98
mp-849450
12.124564
4.964888
-5.196446
other
Li2Cr2P6H16O26
52
2
517.25
mp-758996
11.313749
3.954673
-4.913876
other
Zn5P6H22N2O22
57
2
640.6
mp-1575892
9.092195
4.281267
-7.477098
other
Li8Co4C4S4O28
48
2
569.77
mp-1198228
10.283956
5.776389
-4.31159
other
Sm2Te1Mo6H20O36
65
2
821.46
mp-1176352
9.397642
3.926652
-8.519346
other
Na10Mn4P4C4O28
50
2
640.53
mp-780492
12.747479
5.688557
-5.571508
other
Li4V1P6H8O22
41
2
435.07
mp-780696
11.716372
5.340193
-4.703741
other
Ca2Mn2As4H12O20
40
2
457.67
mp-1177403
12.61485
5.476116
-5.601572
other
Li4Fe1P6H8O22
41
2
433.77
mp-558897
11.325528
11.029306
-3.79949
other
Li2Mg2In2Mo6O24
36
2
560.94
mp-1223606
13.770183
4.307724
-2.148623
other
K2Ba4Zn6B18O38
68
2
850.92
mp-734711
9.957312
7.365483
-5.81155
other
K4P8Pt2Cl2O22
38
2
721.45
mp-572409
4.523134
3.206569
-4.204248
other
Ga4Rh2C8Cl14O8
36
2
937.07
mp-1195804
8.634685
1.48953
-4.460573
other
H20Ir2C4Cl6O6
38
2
457.53
mp-25448
13.494102
7.863472
-7.663803
other
Li2Cr2P2O8F2
16
2
178.04
mp-664427
7.307771
5.454105
-2.335839
other
Sc1Cr2Ag1H4O10
18
2
213.35
mp-731539
7.711713
5.077631
-2.066865
other
Na2Mg1H4S2O8
17
2
204.79
mp-1173625
9.231526
11.424213
0.898444
other
Sr20Mg6Fe4Mo10O60
100
2
1,289.89
mp-558641
8.794982
1.961405
-4.457426
other
Fe1H44C12N10O16
83
2
721.77
mp-735530
11.658296
7.402696
-7.34834
other
Ba2Fe3P6H1O22
34
2
449.1
mp-1202397
9.21971
3.510665
-5.979021
other
K12Be8H28C12O52
112
2
1,324.25
mp-1190505
10.317314
5.106844
-6.395723
other
Y8Co4Te8S8O56
84
2
1,183.98
mp-1522737
8.494659
11.282771
1.476956
other
Ba2Nd2Eu2V2O12
20
2
289.53
mp-1182668
10.067643
3.519219
-3.903847
other
Ca2Zn2H20Br8O10
42
2
807.85
mp-1201959
12.189899
5.102686
-5.273464
other
Mn1Tl2P4H8O16
31
2
402.08
mp-557828
11.603586
4.540533
-4.953259
other
Ho2P2H10C2O14
30
2
321.09
mp-1190452
10.309227
5.247539
-6.169398
other
Sm2Co1Te2S2O14
21
2
307.4
mp-1195797
8.260609
2.201853
-0.895006
other
Hg4Sb14H4Xe6F118
146
2
2,520.98
mp-1176372
8.569956
5.329834
-7.757692
other
Na6Mn4P4C4O28
46
2
616.77
mp-774516
12.411931
6.833826
-1.260208
other
Li8Mg3Cu9Si16O48
84
2
897.99
mp-1210822
8.205669
7.953034
-3.665297
other
Mg2Al4Fe1P4O24
35
2
407.15
mp-722860
10.544423
4.326228
-5.631557
other
Na2Mg1H4S2O8
17
2
204.79
mp-23707
8.614318
1.425584
-4.397953
other
Re2H24C8O10F2
46
2
491.3
mp-1177612
9.586426
3.614798
-8.750692
other
Li6Mn2P2C2O14
26
2
301.4
mp-776014
10.195613
5.269793
-4.39742
other
K2V10Co2H32O44
90
2
920.95
mp-1202939
10.500821
4.540464
-4.307304
other
Na4Ni1H38W6O40
89
2
937.09
mp-707891
9.709059
7.376946
-5.793174
other
Zn4P4H2N2O16
28
2
429.82
mp-738657
8.726451
3.50564
-6.052279
other
K6Gd2H12C12O30
62
2
788.74
mp-1520883
9.624256
9.108726
2.23921
other
Sr2Sm2Eu2Sb2O12
20
2
296
mp-772865
10.384827
12.243297
-3.788363
other
Li3V6Fe4Cu2O24
39
2
486.97
mp-1238596
10.152473
4.908776
-4.305757
other
Mg2V10H40N2O44
98
2
1,051.45
mp-2230345
12.606339
7.927966
-0.395965
other
Ho2Mg1Cu1Ge4O12
20
2
283.32
mp-1518099
9.190489
9.098665
2.339827
other
Ba2Sr2La2Sb2O12
20
2
323.25
mp-1190470
10.255486
5.257909
-6.22966
other
Gd2Co1Te2S2O14
21
2
301.89
mp-1518827
5.941976
8.461095
-0.187685
other
Ba2Ca2Tb2Bi2O12
20
2
312.99