Datasets:
atom-int-team
/
data2plot_initial

Dataset card Data Studio Files
xet
 Community
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-541460
11.921204
8.68824
1.632491
other
Ce16Si8Se12O28
64
141
1,091.37
mp-15897
11.579272
8.127064
1.735428
other
La16Si8S12O28
64
141
1,078.13
mp-559708
9.160366
1.136838
1.177509
other
Li12Zr2Be2F24
40
141
420.18
mp-1228044
12.858527
10.397684
2.385268
other
Ba4Zr1Nb9O18
32
139
447.46
mp-22272
9.208481
8.817059
0.887308
other
Ba2U1Cu1O6
10
139
215.2
mp-758667
8.104334
12.308281
-0.778972
other
Li1Ni6O6F1
14
139
131.34
mp-557320
1.558339
2.524189
-5.160132
original
K4Re2Cl10O1
17
139
461.37
mp-1147572
8.660511
2.792655
2.085594
other
La2Pd1O2F2
7
139
111.83
mp-6114
1.75745
2.146826
1.62769
other
La3Ni2B2N3
10
139
141.43
mp-983228
7.679577
8.526971
-0.460752
other
Sr1Eu2Al2O7
12
139
137.41
mp-545404
10.531075
8.456625
2.637204
other
Sr1Gd2Al2O7
12
139
139.19
mp-1218238
10.363938
8.636093
2.644777
other
Sr1La2Al2O7
12
139
147.93
mp-2217367
12.041337
9.757006
2.231826
other
Ba2Mg1Ti2O6
11
139
151.02
mp-6223
-4.36706
1.440184
2.839219
other
Dy1Ni2B2C1
6
139
65.07
mp-1208872
-8.022171
-5.14501
4.384879
other
Sm2Al16Si2Au8
28
139
513.93
mp-1235221
8.287826
10.315884
1.221279
other
Li1Eu2Co1O4
8
139
115.78
mp-546898
7.741562
9.142641
1.016887
other
Sr2Cu1Br2O2
7
139
151
mp-546846
9.001849
7.901251
-0.872834
other
Ba1Bi4I2O4
11
139
282.25
mp-1072285
-4.257468
1.297053
2.906232
other
Th1B2Pt2C1
6
139
80.82
mp-1025127
-4.884122
1.227851
3.00685
other
U1B2Rh2C1
6
139
74.1
mp-765310
10.229243
0.874941
0.741862
other
Li10Ni4O4F10
28
139
247.83
mp-7148
10.437439
10.996807
3.409021
other
K2Sr1Ta2O7
12
139
178.29
mp-1227393
8.072189
11.429248
2.181952
other
Ba1Tb2Mn2O7
12
139
156.05
mp-9406
9.855902
10.916204
3.236797
other
Li2La2Ti3O10
17
139
201.09
mp-2226434
11.188837
9.176184
1.895307
other
La2Mg1Cu1O4
8
139
135.32
mp-1229081
-3.451434
-1.867524
-5.476894
other
Ag1Sb1Pb2S4
8
139
199.43
mp-567969
-4.841148
1.359385
2.820444
other
Ho1B2Rh2C1
6
139
74.46
mp-1218717
7.378893
11.819219
2.069059
other
Sr2Nd1Mn2O7
12
139
154.05
mp-556357
-5.549344
-1.09903
-3.9867
other
Ni18Bi3As1S16
38
139
570.92
mp-556848
10.684671
10.146386
1.509658
other
Ca1Ta2Bi2O9
14
139
189.22
mp-2229235
11.726982
9.861094
2.466714
other
Sr4Mg1Ti3O10
18
139
240.59
mp-1205834
-7.186785
-4.024981
5.881437
other
Er2Al4Ni1Ge2
9
139
163.73
mp-560515
1.808588
2.808232
-5.253714
other
K4Ru2Cl10O1
17
139
463.39
mp-2225833
11.222645
9.115708
1.821532
other
Nd2Mg1Cu1O4
8
139
135.91
mp-2218122
10.777831
10.262903
1.218526
other
Sr3Mg1Fe2O6
12
139
172.6
mp-570138
-7.144641
-4.143749
6.014974
other
Tb2Al4Ni1Ge2
9
139
167.66
mp-558050
8.974121
0.285849
0.862372
other
Rb2Na1Mn1F6
10
139
160.72
mp-19060
10.975858
8.715759
2.219357
other
Sr2Mn3As2O2
9
139
174.2
mp-19246
11.244949
8.691899
2.359735
other
Sr2Mn3Sb2O2
9
139
194.14
mp-1104424
-4.735078
-6.136573
1.254318
other
Ba8Sb4H2O1
15
139
525.52
mp-1223424
-5.480103
-0.810864
1.213378
other
La4Pr1Co10P10
25
139
399.92
mp-561045
9.120391
9.145722
2.27696
other
Ba8Ce3Sb4O24
39
139
633.54
mp-850204
10.512959
0.745783
0.774603
other
Li5Co2O2F5
14
139
125.87
mp-1208732
1.798461
2.512287
1.528007
other
Sr2Nb1N2O2
7
139
107.36
mp-20135
11.619978
10.63179
2.687615
other
Na2Ca2Ta3O10
17
139
228.46
mp-1393408
-4.21653
-1.832128
-5.22296
other
Sr2Cu2S2O2
8
139
139.07
mp-1212998
2.064958
2.506861
-3.663092
other
Cu1H2Br4N2
9
139
191.01
mp-753307
8.211186
12.404502
-0.727328
other
Li1Ni4O4F1
10
139
93.03
mp-752750
8.673843
12.603946
-0.558259
other
Li3Ni4O4F3
14
139
127.64
mp-1211279
10.877433
8.300334
2.369685
other
La2Fe2S2O3
9
139
148.97
mp-1147545
4.442417
2.410349
-3.100187
other
Rb2Pd2C8Br2
14
139
298.74
mp-1025490
11.55718
8.237545
2.520311
other
Tm1U2S3O2
8
139
151.14
mp-1147755
7.376767
10.455009
-1.73658
other
Ga2Cu1S2O2
7
139
123.88
mp-1147576
-2.781639
-1.35223
-5.475062
other
Sr2Cu1S2Cl2
7
139
166.69
mp-1079573
11.083254
8.159206
2.533648
other
Pr2Fe2S2O3
9
139
149.76
mp-568924
-4.730721
1.372937
2.876302
other
Pr1B2Rh2C1
6
139
77.88
mp-760940
10.02784
11.481177
-1.169361
other
Li3Co4O4F3
14
139
131.82
mp-1071818
-4.595644
1.41192
3.062931
other
Tm1Co2B2C1
6
139
63.1
mp-1025041
-3.68054
1.341755
2.775596
other
Th1B2Pd2C1
6
139
80.17
mp-1079069
10.789033
8.034185
2.548049
other
La2Mn2Se2O3
9
139
166.48
mp-1179214
5.61676
3.123734
-3.419204
other
Te1C16I4N2
23
139
562.03
mp-1103214
10.502108
10.522375
1.166357
other
Sr6Fe4Cl4O8
22
139
378.56
mp-1101990
9.994099
8.468195
3.295375
other
Sr1Gd2Sc2O7
12
139
166.59
mp-1080538
2.3696
2.919021
-3.57552
other
Cu1Br4N2O2
9
139
245.24
mp-1147760
8.231893
2.267731
2.259832
other
La2Cu1N2F2
7
139
106.72
mp-1205717
8.836526
0.302127
0.895233
other
K1Rb2Mn1F6
10
139
185.2
mp-753703
9.315362
6.568685
0.02916
other
Li6Ni4O4F6
20
139
179.67
mp-1080399
-4.685757
1.341758
2.849967
original
Th1B2Rh2C1
6
139
77.52
mp-21445
9.554816
8.729995
1.780492
other
Ba3In2O5F2
12
139
209.31
mp-1213044
3.692316
3.615156
-3.995577
other
Cu1N2Cl4O2
9
139
146.4
mp-6544
-4.255116
1.453827
2.836146
other
Lu1Ni2B2C1
6
139
63.35
mp-12736
-4.808784
1.359011
2.879949
other
Tb1B2Rh2C1
6
139
75.06
mp-1177857
12.730924
9.223959
2.75403
other
Li2Ti2Sb2O1
7
139
124.2
mp-557296
7.928333
10.498672
1.328826
other
Sr2Mn1Sb1O6
10
139
130.23
mp-1206557
11.61683
8.321144
2.583779
other
Yb1U2S3O2
8
139
150.49
mp-760300
10.769667
0.866707
0.513193
other
Li3Co2O2F3
10
139
90.52
mp-1198399
2.320065
3.133708
-4.649307
other
K21Tl7Cl42O14
84
139
2,382.72
mp-667372
9.241342
9.561303
2.312693
other
Ba8Zr3Sb4O24
39
139
594.23
mp-1188289
1.670462
2.679652
-5.143403
other
Cs3Re2Cl10O1
16
139
514.57
mp-1147573
6.856598
9.909939
-2.399339
other
Ga2Co1S2O2
7
139
118.59
mp-1218776
7.586652
11.862864
2.070949
other
Sr2La2Mn4O11
19
139
244.77
mp-1223245
-5.780048
-2.510272
5.848086
other
La1Ce4Si10Ru10
25
139
432.29
mp-10960
11.496034
9.86889
2.906295
other
Tb2Ti2S2O5
11
139
166.88
mp-23101
10.598924
10.19254
1.37511
other
Nb2Bi2Pb1O9
14
139
197.44
mp-756781
11.577363
10.528842
2.698577
other
Sr3Li2Nb4O13
22
139
285.69
mp-556004
9.712939
8.435129
1.491276
other
Ba3In2Br2O5
12
139
248.15
mp-1147574
1.300361
2.488462
-5.65456
other
K2Cu1Cl2F2
7
139
161.73
mp-18963
10.816426
8.445873
2.296541
other
Ba2Mn3As2O2
9
139
192.67
mp-753092
9.175355
11.962125
-0.513415
other
Li4Ni3O3F4
14
139
125.8
mp-1226829
-6.063625
-3.438657
-2.400074
other
Cd4In1Te4As1
10
139
278.28
mp-6140
-4.233918
1.395958
2.826307
other
Pr1Ni2B2C1
6
139
68.39
mp-1386589
7.123597
9.902519
-0.842063
other
Ba2Tl2Cu2O8
14
139
220.69
mp-1205681
8.490738
0.752743
0.509984
other
K2Na1Pd1F6
10
139
160.03
mp-1222364
10.540343
11.676889
3.248564
other
Li1La1Nb4O12
18
139
253.72
mp-567077
-4.807663
1.335777
2.859874
other
Sm1B2Rh2C1
6
139
76.24
mp-1213889
-4.099806
-3.638111
0.742452
other
Ce3Cu4P4O2
13
139
203.13
mp-1223164
-5.457958
-2.188472
5.814435
other
La2Nd1Mn6Si6
15
139
254.53
mp-1221863
-6.114628
-2.982417
-2.124814
other
Mn2In1Cu1Te4
8
139
200.11
mp-1208627
10.559072
8.426242
2.640286
other
Sr1Ho2Al2O7
12
139
135.37
mp-759580
10.718715
0.960108
0.557548
other
Li4Co3O3F4
14
139
130.69