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-1102810
11.370716
4.708616
-3.693898
other
Na2Ti1H4O5
12
71
140.63
mp-2217332
11.381848
9.880732
1.118935
other
Ba3Mg1W1O6
11
71
201.21
mp-1226955
9.528111
8.0201
-1.052952
other
Cd5Bi6Cl12O8
31
71
664.36
mp-556496
-4.091516
-5.679822
5.104178
other
Sr10Al4Si6O1
21
71
597.61
mp-1070917
-7.30688
-2.03427
5.374827
other
Nd2Co2Si1C1
6
71
105.74
mp-1643079
8.798264
14.427082
-0.106838
other
Li8Mn4O8F4
24
71
228.35
mp-1228122
9.599399
9.240257
-0.156002
other
Ba6Bi2Te3O18
29
71
478.17
mp-1193401
-5.688044
-2.465193
5.677911
other
U6Al8Fe5Si9
28
71
453.07
mp-1228397
9.711109
9.06595
2.505762
other
Ba6U2In4O18
30
71
481.05
mp-1286332
8.034073
9.493408
1.154467
other
Sr8Co4Br8O8
28
71
585.16
mp-19181
8.977532
9.194446
2.589275
other
Ba1Ho2Ni1O5
9
71
124.76
mp-18752
6.670439
10.136816
-0.148991
other
Ba1Yb2Ni1O5
9
71
117.76
mp-1282896
7.344378
11.815855
2.126377
other
Sr4La2Mn4O14
24
71
310.78
mp-1112863
9.03137
1.955129
1.735813
other
K2Li1Ta1F6
10
71
146.89
mp-1235318
11.589325
8.708294
2.117787
other
Sr1Li1U2O6
10
71
127.57
mp-1105709
2.279346
3.255915
-4.721
other
Cs3V1Cl6O4
14
71
436.53
mp-1220123
8.49713
14.496729
-1.055468
other
Nd1Mn5Cu2O12
20
71
211.33
mp-504806
6.818357
10.820234
-1.315657
other
K2Li14Pb3O14
33
71
387.25
mp-568322
1.420502
1.999702
1.331367
other
Sr3Li3Ni4N4
14
71
240.42
mp-19199
8.908495
9.176878
2.465282
other
Ba1Sm2Ni1O5
9
71
132.82
mp-1198435
7.314772
7.215939
-3.975783
other
K7Na1Te4O32
44
71
938.35
mp-1183003
2.661147
2.929855
-3.983457
other
Ag2Au3N6Cl17
28
71
935.93
mp-19164
8.920562
9.09219
2.625748
other
Ba1Dy2Co1O5
9
71
122.54
mp-1228277
5.935051
8.482951
-0.494387
other
Ba6Ca2Bi4O18
30
71
497.81
mp-729934
4.288417
3.038043
-3.876552
other
Pt1C4N2Cl6
13
71
294.76
mp-1227157
9.69508
7.734439
-1.12355
other
Ca5Bi6Cl12O8
31
71
693
mp-763099
13.223863
12.515126
-0.498632
other
Li2V1O2F1
6
71
56.16
mp-1224690
-7.453606
0.893769
4.677079
other
Gd1V2Fe10N1
14
71
173.97
mp-2242023
1.919462
2.18076
-3.721799
other
Mg1V1Br2O1
5
71
124.07
mp-2228145
8.502094
11.044112
1.981135
other
Sr3Mg1Mn2O7
13
71
192.96
mp-546843
9.353209
9.972311
-0.974548
other
Sr2Ni1Te1O6
10
71
149.58
mp-18746
9.159192
9.043042
2.804011
other
Ba1Er2Co1O5
9
71
120.03
mp-1219059
-7.49368
0.90723
4.697848
other
Sm1V2Fe10N1
14
71
172.26
mp-1239342
8.40474
11.103258
1.631465
other
Sr3Cr2S2O5
12
71
182.02
mp-1223356
9.980962
9.505941
3.214382
other
La6Mg4Nb2O18
30
71
386.84
mp-1228348
9.289639
10.280901
2.301302
other
Ba6Dy4W2O18
30
71
484.15
mp-1215812
-7.488082
0.879245
4.673388
other
Y1V2Fe10N1
14
71
173.86
mp-1219098
-7.408345
0.875935
4.576726
other
Sm1Fe10Mo2N1
14
71
180.45
mp-19416
8.910579
9.211568
2.506896
other
Ba1Dy2Ni1O5
9
71
126.21
mp-18802
8.824071
9.196568
2.398108
other
Ba1Pr2Ni1O5
9
71
139.13
mp-1218557
9.435978
9.38725
1.101117
other
Sr6Co2Sb4O18
30
71
399.34
mp-22294
7.108109
10.246716
1.010294
other
Ba1Eu2Ni1O5
9
71
131.85
mp-1225484
-7.475839
0.866419
4.633157
other
Er1V2Fe10N1
14
71
172.82
mp-1192473
-6.188274
-2.665441
5.640598
other
U6Al8Fe5Si5
24
71
419.29
mp-1219813
3.895366
3.803548
-3.999447
other
Ru3N12Cl8O6
29
71
602.14
mp-1217582
-7.396393
0.858592
4.513474
other
Tb1Fe10Mo2N1
14
71
178.3
mp-1071216
-7.177826
-2.081044
5.387304
other
Pr2Co2Si1C1
6
71
108.14
mp-548402
1.876226
2.142452
-4.028727
other
Na1W2Br6O2
11
71
285.11
mp-1228087
9.301657
10.499074
2.27294
other
Ba6Y4W2O18
30
71
469.13
mp-1220279
-7.415253
0.858095
4.57439
other
Nd1Fe10Mo2N1
14
71
182.26
mp-1228052
8.777051
10.178472
2.25333
other
Ba6Y4Mo2O18
30
71
483.28
mp-1287534
7.425702
11.91295
2.040067
other
Ca4La2Mn4O14
24
71
293.32
mp-1220115
-7.52031
0.900042
4.728469
other
Nd1V2Fe10N1
14
71
177.26
mp-2240714
8.529631
9.638262
1.557557
other
Sr2Mg1Cu2O4
9
71
126.82
mp-1218655
8.115923
11.029202
1.575575
other
Sr6U2Fe4O18
30
71
413.48
mp-8711
7.182979
10.109613
-0.910658
other
Cs2Li14Tb3O14
33
71
410.09
mp-19248
8.950861
8.967823
2.597853
original
Ba1Sm2Co1O5
9
71
134.01
mp-1228336
8.80413
10.075584
2.21515
other
Ba6Dy4Mo2O18
30
71
482.9
mp-2227111
8.874218
2.241307
1.201439
other
Mg1Sb1O1F3
6
71
86.07
mp-16965
-7.873573
-3.041385
4.774663
other
La2Tm2Ge8Ir4
16
71
311.04
mp-560610
8.177223
9.968387
1.185402
other
Sr8Co4Cl8O8
28
71
518.03
mp-621112
1.35534
2.464114
-5.424137
other
Cs5Nb2S4Cl9
20
71
631.76
mp-18763
8.925036
9.111557
2.477668
other
Ba1Nd2Ni1O5
9
71
136.62
mp-2219856
11.671556
10.36279
1.138383
other
Sr3Mg1V2O7
13
71
191.62
mp-1272850
7.267726
11.602499
2.136682
other
Ba4La2Mn4O14
24
71
335.46
mp-17208
9.965273
11.445278
0.944078
other
K2Li14Zr3O14
33
71
367.8
mp-556411
8.607892
3.853923
-7.088428
other
Ca1Bi2C2O8
13
71
172.58
mp-1226068
-7.382595
0.864082
4.534307
other
Gd1Fe10Mo2N1
14
71
178.88
mp-571541
1.63362
1.870099
0.9739
other
Sr8In4Cu3N5
20
71
458.81
mp-643060
10.096082
3.105817
-3.764771
other
Zn3H12Br6O6
27
71
446.34
mp-24148
10.425977
8.663401
2.777591
other
Li1La2H1O3
7
71
87.96
mp-1216094
-7.428313
0.845248
4.447231
other
Y1Fe10Mo2N1
14
71
167.44
mp-17971
7.111981
10.011301
-0.858799
other
Rb2Li14Pr3O14
33
71
430.15
mp-558099
-0.856061
1.025354
-4.28145
other
Nb2Tl5S4Br9
20
71
629.72
mp-1228476
9.547319
10.639614
1.338102
other
Ba6In4W2O18
30
71
453.59
mp-556675
7.165555
10.099319
-0.914854
other
Rb2Li14Tb3O14
33
71
404.28
mp-1224024
-7.410046
0.854649
4.518119
other
Ho1Fe10Mo2N1
14
71
178.53
mp-557028
10.441153
10.85589
3.422761
other
Sr2La1Ta3O11
17
71
250.13
mp-2226128
9.50824
9.657492
0.169091
other
Na2Mg1Cu1O2
6
71
81.04
mp-1643334
5.273633
10.825617
-1.184993
other
Ba2Sr8Fe10O30
50
71
612.22
mp-505313
8.946536
9.093125
2.587666
other
Ba1Gd2Co1O5
9
71
129.03
mp-15223
-4.712241
-2.7905
-3.577801
other
Cs4Nb2Cu2Se8
16
70
568.61
mp-1044163
14.088302
8.784381
-3.603443
other
Ca2P4W4O20
30
70
380.31
mp-14637
-4.684221
-2.750973
-3.490018
other
Cs4Nb2Ag2Se8
16
70
600.62
mp-9764
-4.71088
-2.695779
-3.484864
other
Rb4Nb2Ag2Se8
16
70
551.3
mp-8684
-3.521016
-0.877641
-5.30746
other
Cs4V2Ag2S8
16
70
525.52
mp-9003
-4.702077
-2.690644
-3.637828
other
K4Nb2Cu2Se8
16
70
485.23
mp-1210520
-3.514592
-1.680972
-4.259845
other
Rb8Ta4Ag4S8
24
70
842.03
mp-1378551
9.474277
7.597702
-6.048931
other
Ca2Ni4P4O20
30
70
339.98
mp-15216
-3.57939
-1.117449
-5.274336
other
K4Ta2Ag2S8
16
70
468.04
mp-555070
13.692719
4.363319
-2.062058
other
Ba2Be4B4O12
22
70
248.94
mp-15218
-3.59438
-1.122725
-5.199688
other
Cs4Ta2Ag2S8
16
70
554.11
mp-698063
12.452553
5.238472
-5.695618
other
Na8P8H8O28
52
70
598.55
mp-1210898
-3.736798
-1.935554
-4.322399
other
Rb8Nb4Cu4S8
24
70
800.02
mp-557506
6.366102
8.702427
-0.466307
other
Na6Ca4Bi2O12
24
70
334.1
mp-1213487
11.170589
7.083859
-4.742424
other
Hg4P8Pd2O16
30
70
707.1
mp-558815
-3.509419
-0.936962
-5.400096
other
Rb4Li2V2S8
16
70
469.04
mp-15147
-3.817815
-0.899808
-5.322447
other
K4V2Cu2S8
16
70
409.48
mp-1204327
-3.728441
-1.515423
-5.690553
other
Na4Ce4Ga16S32
56
70
1,343.97
mp-1044241
11.053216
8.185187
-7.086154
other
Ca2Cr4P4O20
30
70
337.73