Datasets:
youssefsassi
/
Le-Mat-Bulk_matgen_constrained

Dataset card Data Studio Files
xet
 Community
1
immutable_id
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4
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elements
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nelements
int64
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chemical_formula_anonymous
large_stringclasses
529 values
chemical_formula_reduced
large_stringlengths
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lattice_vectors
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dft_hull
float64
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0.1
energy
float64
-948.71
-0.22
agm005019110
[ "Nd", "Rh", "Sc", "Si" ]
5
4
A2BCD
NdRhScSi2
[ [ 4.13844679, 0, 0 ], [ 0, 4.13844679, 0 ], [ -2.069223395, -2.069223395, 5.57750601 ] ]
[ [ 0, 0, 0 ], [ 2.069223395, 0, 2.788753005 ], [ 2.069223395, 2.069223395, 1.1965509536845558 ], [ 2.4732593833701333e-17, 2.4732593833701333e-17, 4.380955056315444 ], [ 0, 2.069223395, 2.788753005 ] ]
[ "Nd", "Sc", "Si", "Si", "Rh" ]
0.061176
-33.873027
agm005001056
[ "Au", "La", "Pt", "Zn" ]
10
4
A2BCD
AuLa2PtZn
[ [ 0, -4.53156909, 0 ], [ -7.498741516766789, 0, 0 ], [ 2.752854262209589, 0, -7.259670511005504 ] ]
[ [ -2.3978692327797066, -1.1328922725, -6.31840718658873 ], [ 1.6541281498948257, -1.1328922725, -5.111687331040169 ], [ -2.3480180217774937, -3.3986768174999997, -0.9412633244167747 ], [ -6.400015404452026, -3.3986768174999997, -2.147983179965335 ], [ ...
[ "La", "La", "La", "La", "Zn", "Zn", "Pt", "Pt", "Au", "Au" ]
0.050458
-49.245433
agm003348083
[ "Bi", "Ce", "H" ]
11
3
A6B3C2
Bi3Ce6H2
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[ "Ce", "Ce", "Ce", "Ce", "Ce", "Ce", "Bi", "Bi", "Bi", "H", "H" ]
0.092271
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agm002229673
[ "Ba", "Ho", "Ir", "O" ]
10
4
A6B2CD
Ba2HoIrO6
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[ "Ir", "Ho", "O", "O", "O", "O", "O", "O", "Ba", "Ba" ]
0
-70.680827
agm003213258
[ "La", "O", "Ti", "Zn" ]
13
4
A8B2C2D
La2O8Ti2Zn
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[ "La", "La", "Ti", "Ti", "Zn", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.074972
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agm003220186
[ "Na", "O", "Pd", "Tm" ]
16
4
A8B6CD
NaO8Pd6Tm
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[ [ 2.910167205, 2.910167205, 2.910167205 ], [ 0, 0, 0 ], [ 1.4516746908394071, 0, 2.910167205 ], [ 4.3686597191605925, 0, 2.910167205 ], [ 2.910167205, 1.4516746908394071, 0 ], [ 2.910167205, 4.3686597191605925, 0 ], [ ...
[ "Na", "Tm", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd", "O", "O", "O", "O", "O", "O", "O", "O" ]
0
-94.100718
agm005007188
[ "Ni", "P", "Rh", "Sr" ]
5
4
A2BCD
NiP2RhSr
[ [ 3.96761861, 0, 0 ], [ 0, 3.96761861, 0 ], [ -1.983809305, -1.983809305, 5.72239302 ] ]
[ [ 0, 0, 0 ], [ 1.9838093049999999, 0, 2.86119651 ], [ 1.9838093050000003, 1.9838093050000007, 1.6600754281547623 ], [ 6.050940086208527e-17, 2.825540057871166e-16, 4.062317591845238 ], [ 2.220446049250313e-16, 1.9838093049999999, 2.86119651...
[ "Sr", "Ni", "P", "P", "Rh" ]
0.033368
-29.791677
agm002283595
[ "Cr", "F", "Li", "Rb" ]
10
4
A6B2CD
CrF6LiRb2
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[ "Cr", "Li", "Rb", "Rb", "F", "F", "F", "F", "F", "F" ]
0.035982
-51.293058
agm005018198
[ "Ni", "Pr", "Ru", "Si" ]
5
4
A2BCD
NiPrRuSi2
[ [ 4.04115941, 0, 0 ], [ 0, 4.04115941, 0 ], [ -2.020579705, -2.020579705, 5.14032164 ] ]
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[ "Pr", "Si", "Si", "Ni", "Ru" ]
0.029264
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agm003194087
[ "Cu", "K", "Te", "Zn" ]
5
4
A2BCD
CuKTe2Zn
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[ "K", "Zn", "Cu", "Te", "Te" ]
0.035835
-15.355772
agm004976942
[ "Ni", "Pt", "Rh", "Se" ]
20
4
A6B2CD
Ni2PtRhSe6
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[ "Ni", "Ni", "Ni", "Ni", "Pt", "Pt", "Rh", "Rh", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
0.093537
-97.26711
agm004997085
[ "Dy", "La", "Nd", "Pr" ]
10
4
A2BCD
DyLa2NdPr
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[ "La", "La", "La", "La", "Pr", "Pr", "Nd", "Nd", "Dy", "Dy" ]
0.039017
-47.667725
agm003224616
[ "Na", "Nb", "O", "Sm", "Ti" ]
20
5
A12B3C2D2E
Na3Nb2O12SmTi2
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[ "Na", "Na", "Na", "Sm", "Ti", "Ti", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.012279
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mp-68
[ "Sm" ]
2
1
A
Sm
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[ "Sm", "Sm" ]
0.028062
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agm003157128
[ "Sn" ]
1
1
A
Sn
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[ [ 0, 0, 0 ] ]
[ "Sn" ]
0.091332
-3.916823
agm005018180
[ "Ni", "Ru", "Si", "Y" ]
5
4
A2BCD
NiRuSi2Y
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[ "Y", "Si", "Si", "Ni", "Ru" ]
0.017455
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agm003278452
[ "Ag", "Al" ]
5
2
A3B2
Ag2Al3
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[ "Ag", "Ag", "Al", "Al", "Al" ]
0.060175
-16.916331
agm002327019
[ "Al", "Ir", "Mn" ]
4
3
A2BC
AlIr2Mn
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[ "Ir", "Ir", "Al", "Mn" ]
0.02258
-32.942713
agm003190407
[ "Ba", "Hg" ]
4
2
A3B
Ba3Hg
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[ "Hg", "Ba", "Ba", "Ba" ]
0.021644
-7.116921
agm003163076
[ "Be", "Ni" ]
4
2
A3B
BeNi3
[ [ 3.43183267, 0, 0 ], [ 0, 3.43183267, 0 ], [ 0, 0, 3.43183267 ] ]
[ [ 0, 1.715916335, 1.715916335 ], [ 1.715916335, 0, 1.715916335 ], [ 1.715916335, 1.715916335, 0 ], [ 0, 0, 0 ] ]
[ "Ni", "Ni", "Ni", "Be" ]
0.073105
-21.733332
agm003163409
[ "Cd", "Mg" ]
4
2
A3B
CdMg3
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[ "Mg", "Mg", "Mg", "Cd" ]
0.02721
-5.901863
mp-567354
[ "Cl", "Ti" ]
8
2
A3B
Cl3Ti
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[ "Ti", "Ti", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
0.029442
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agm003193216
[ "Al", "Cu" ]
5
2
A4B
Al4Cu
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0.073195
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agm004924096
[ "O", "Os", "Sr", "V" ]
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4
A6B2CD
O6OsSr2V
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0.076978
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agm004863086
[ "Pr", "Sc", "Sm", "Tm" ]
8
4
A4B2CD
Pr2ScSm4Tm
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0.036295
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agm004854678
[ "Sb", "Se", "Si", "Sm" ]
8
4
A4B2CD
SbSe2SiSm4
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[ "Sm", "Sm", "Sm", "Sm", "Si", "Sb", "Se", "Se" ]
0.034839
-46.728694
agm005017436
[ "Ho", "Ru", "Si", "Ti" ]
5
4
A2BCD
HoRuSi2Ti
[ [ 3.98102965, 0, 0 ], [ 0, 3.98102965, 0 ], [ -1.990514825, -1.990514825, 5.40834707 ] ]
[ [ 0, 0, 0 ], [ 1.9905148249999995, -1.115488354463956e-16, 2.7041735349999994 ], [ 1.9905148249999995, 1.9905148249999995, 1.1946361011742122 ], [ -2.900683166266802e-16, -2.900683166266802e-16, 4.2137109688257866 ], [ -1.115488354463956e-16, 1...
[ "Ho", "Ti", "Si", "Si", "Ru" ]
0.023678
-36.791315
agm005014776
[ "O", "Pb", "Pr", "Y" ]
5
4
A2BCD
O2PbPrY
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[ "Pr", "Y", "Pb", "O", "O" ]
0.068273
-37.142687
agm004945315
[ "O", "Pb", "Rb", "V" ]
20
4
A6B2CD
O6PbRbV2
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[ "Rb", "Rb", "V", "V", "V", "V", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.070186
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agm005015004
[ "O", "Pb", "Sc", "Sm" ]
5
4
A2BCD
O2PbScSm
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[ "Sm", "Sc", "Pb", "O", "O" ]
0.087866
-36.818944
agm005015005
[ "O", "Pb", "Sc", "Tm" ]
5
4
A2BCD
O2PbScTm
[ [ 3.71643919, 0, 0 ], [ 0, 3.71643919, 0 ], [ -1.858219595, -1.858219595, 6.87610227 ] ]
[ [ 1.858219595, 1.8582195949999996, 4.516191928299421 ], [ -3.7742520906385835e-17, -1.487648233689015e-16, 2.4224283448665767 ], [ 1.858219595, 1.858219595, 0.055532708391952325 ], [ 1.8582195949999998, -1.578503843767578e-17, 3.379032655323294 ], [ ...
[ "Tm", "Sc", "Pb", "O", "O" ]
0.028638
-36.985114
agm004968643
[ "O", "Pb", "Sm", "Ta" ]
20
4
A6B2CD
O6Pb2SmTa
[ [ 5.9491914934279935, 0, 0 ], [ 0, 6.012575540000013, 0 ], [ 0.0015369910298890233, 0, 8.459696679876544 ] ]
[ [ 2.9745957467139967, 0, 0 ], [ 0.0007684955149445116, 3.0062877700000064, 4.229848339938272 ], [ 2.9753642422289412, 0, 4.229848339938272 ], [ 0, 3.0062877700000064, 0 ], [ 0.03877169427956298, 0.16879933048866527, 6.360228544935477 ], ...
[ "Sm", "Sm", "Ta", "Ta", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.068923
-153.989631
agm005014775
[ "O", "Pb", "Sm", "Y" ]
5
4
A2BCD
O2PbSmY
[ [ 3.90001378, 0, 0 ], [ 0, 3.90001378, 0 ], [ -1.95000689, -1.95000689, 7.16697197 ] ]
[ [ 1.95000689, 1.95000689, 4.746642533899181 ], [ -4.313441216446281e-18, -4.313441216446281e-18, 2.4525016149255516 ], [ 1.95000689, 1.95000689, 0.028096465204832322 ], [ 1.9500068899999998, 1.1309433643367585e-17, 3.553358829957188 ], [ 1.22331736...
[ "Sm", "Y", "Pb", "O", "O" ]
0.015591
-37.317633
agm003190276
[ "Al", "Pt" ]
4
2
AB
AlPt
[ [ 0, 3.214328409500465, 0 ], [ 1.1961592815250144, 0, -4.104741719699175 ], [ -4.528105785199113, -1.6071642047502326, 0 ] ]
[ [ -0.7066880255446696, 2.3050639682798964e-17, -1.301111897259919 ], [ -2.6252584781294286, 1.6071642047502326, -2.8036298224392557 ], [ -0.09715383844425395, 1.6071642047502324, -3.3068768218179487 ], [ -3.234792665229843, -7.375372267672356e-17, -0.79786...
[ "Al", "Al", "Pt", "Pt" ]
0.069339
-23.523623
agm004976337
[ "O", "Pb", "V", "Zn" ]
20
4
A6B2CD
O6PbV2Zn
[ [ -2.663047749142087, 0, 5.770655272627343 ], [ 4.571469707441548, -5.769569046260101, 0 ], [ 4.571469707441548, 5.769569046260101, 0 ] ]
[ [ 4.0174069730980815, 0.916383363314946, 3.801516973450132 ], [ 1.1309608180718835, 0.9163833633149456, 4.8544659354908815 ], [ 2.4624846926429265, -0.9163833633149454, 1.9691382991772104 ], [ 5.348930847669124, -0.9163833633149453, 0.9161893371364614 ],...
[ "V", "V", "V", "V", "Zn", "Zn", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.068589
-132.98428
agm003162519
[ "As", "Li" ]
4
2
AB
AsLi
[ [ 0, 2.8597661199272695, 0 ], [ 1.608876556174069, 0, -4.529269124932248 ], [ -5.187388601741294, -1.4298830599636347, 0 ] ]
[ [ -0.7693313003766874, 1.389850815832056e-17, -1.046602606812332 ], [ -2.8091807451905373, 1.429883059963635, -3.482666518119916 ], [ -0.07174417921599507, 1.4298830599636347, -3.3926500571160534 ], [ -3.5067678663512307, -4.216361209999083e-16, -1.1366190...
[ "As", "As", "Li", "Li" ]
0.037061
-14.929405
agm003185710
[ "Au", "Be" ]
4
2
A3B
Au3Be
[ [ -1.4707517847373466, -2.5474168164876887, 0 ], [ -2.941503569474693, 0, 0 ], [ -1.4707517847373466, -0.8491389388292295, -8.588426360211574 ] ]
[ [ -4.412255354212039, -2.5474168164876887, 0 ], [ -4.41225535421204, -2.5474168164876887, -6.836911620273446 ], [ -2.941503569474693, -1.6982778776584595, -4.294213180105789 ], [ -1.4707517847373468, -0.8491389388292298, -1.7515147399381301 ] ]
[ "Be", "Au", "Au", "Au" ]
0.082645
-13.690621
agm002192867
[ "Au", "Yb" ]
4
2
A3B
Au3Yb
[ [ -3.4244844448955782, -3.4244844448955782, 0 ], [ -3.4244844448955782, 0, -3.4244844448955782 ], [ 0, -3.4244844448955782, -3.4244844448955782 ] ]
[ [ -3.4244844448955782, -3.4244844448955782, -3.4244844448955782 ], [ -5.136726667343368, -5.136726667343368, -5.136726667343368 ], [ -1.7122422224477891, -1.7122422224477887, -1.7122422224477887 ], [ 0, 0, 0 ] ]
[ "Yb", "Au", "Au", "Au" ]
0.009516
-13.936648
agm003193451
[ "Co", "La" ]
5
2
A3B2
Co3La2
[ [ -2.05033113010823, -3.551277689687568, 0 ], [ -2.05033113010823, 3.551277689687568, 0 ], [ 0, 0, -7.98252686 ] ]
[ [ 0, 0, 0 ], [ -2.0503311301082303, 1.1837592298958564, -0.33075552149248866 ], [ -2.05033113010823, -1.183759229895856, -7.651771338507512 ], [ -2.0503311301082303, 1.1837592298958564, -5.7115258273487415 ], [ -2.05033113010823, -1.18375922989...
[ "Co", "Co", "Co", "La", "La" ]
0.051136
-31.428799
agm004944765
[ "O", "Pr", "Rb", "Se" ]
10
4
A6B2CD
O6PrRbSe2
[ [ -2.941136160885823, -5.094197262632317, 0 ], [ -5.882272321771646, 0, 0 ], [ -2.941136160885823, -1.6980657542107722, -6.49983897 ] ]
[ [ -8.82340848265747, -5.094197262632317, 0 ], [ -5.882272321771647, -3.396131508421545, -3.2499194850000013 ], [ -2.941136160885823, -1.6980657542107724, -1.1585671771239154 ], [ -8.82340848265747, -5.094197262632317, -5.3412717928760856 ], [ -7.76...
[ "Rb", "Pr", "Se", "Se", "O", "O", "O", "O", "O", "O" ]
0.024315
-59.521225
agm003163720
[ "Co", "Pt" ]
4
2
A3B
CoPt3
[ [ -2.754141668245503, 0, 0 ], [ 0, 0, -4.746350245603463 ], [ 1.3770708341227516, -4.523579514102775, 2.3731751228017317 ] ]
[ [ -1.377070834122751, -4.523579514102775, 2.3704315899692654 ], [ -1.3770708341227516, -2.1883219402764835, -0.7590022524821423 ], [ -1.3770708341227516, 0, -2.4345437702547996 ], [ -3.726000840422307e-17, -2.3352575738262917, -3.1321773752838737 ] ]
[ "Co", "Pt", "Pt", "Pt" ]
0.080294
-25.315257
agm001191780
[ "Co", "Zr" ]
2
2
AB
CoZr
[ [ 3.19957085, 0, 0 ], [ 0, 3.19957085, 0 ], [ 0, 0, 3.19957085 ] ]
[ [ 1.599785425, 1.599785425, 1.599785425 ], [ 0, 0, 0 ] ]
[ "Co", "Zr" ]
0.04933
-16.206813
agm003186060
[ "Fe", "Rh" ]
4
2
A3B
Fe3Rh
[ [ 2.9288311134973073, 0, 0 ], [ 0, 4.168752237399202, 0 ], [ -1.4644155567486536, -2.084376118699601, 4.169751842035096 ] ]
[ [ 1.4644155567486536, 0, 0 ], [ 1.4644155567486539, 2.084376118699601, 2.043883591028722 ], [ 0, 2.084376118699601, 0 ], [ -1.689271270822152e-16, 4.994768386046634e-18, 2.1258682510063736 ] ]
[ "Rh", "Fe", "Fe", "Fe" ]
0.014792
-32.852874
agm003164588
[ "In", "Se" ]
4
2
A3B
In3Se
[ [ -1.9905136680006172, -3.4476708061373573, 0 ], [ -3.9810273360012345, 0, 0 ], [ -1.9905136680006172, -1.1492236020457858, -8.181321308729988 ] ]
[ [ -5.9715410040018515, -3.4476708061373573, 0 ], [ -1.9905136680006175, -1.1492236020457858, -1.8273620104242667 ], [ -3.9810273360012345, -2.2984472040915724, -4.090660654364996 ], [ -5.9715410040018515, -3.4476708061373573, -6.35395929830572 ] ]
[ "Se", "In", "In", "In" ]
0.075955
-12.469046
agm003572723
[ "Cl", "Co", "Rb" ]
20
3
A6B3C
Cl6CoRb3
[ [ 6.198860338117747, 3.5789136848811762, 5.020860636209296 ], [ 6.198860338117747, -3.5789136848811762, -5.020860636209296 ], [ 0, 7.1578273697623525, -5.020860636209296 ] ]
[ [ 3.1301266155102137, 3.085097858826535, 0.6449848786053005 ], [ 7.305570149267396, 6.483422959136609, 0.6449848786053004 ], [ 4.236836426659863, 5.989607133081967, -5.665845514814594 ], [ 8.16088424957563, 1.168220236680383, 0.6449848786053011 ], [ ...
[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Co", "Co", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
0.04326
-69.583476
agm005532536
[ "Ir", "Rh" ]
9
2
A7B2
Ir7Rh2
[ [ -2.3664901031585526, -4.098881094279527, 0 ], [ -2.3664901031585526, 4.098881094279527, 0 ], [ 0, 0, -6.70066395 ] ]
[ [ 0, 0, 0 ], [ -1.5708684630487115, 5.4571309466009974e-17, -4.463213221281817 ], [ -3.9475459747927495, -1.360411995004001, -4.463213221281817 ], [ -3.9475459747927495, 1.360411995004001, -4.463213221281817 ], [ -0.7854342315243558, 1.36041199...
[ "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Rh", "Rh" ]
0
-76.879752
agm003164912
[ "La", "Sr" ]
4
2
AB
LaSr
[ [ 3.9262823462517593, 0, 0 ], [ 0, 3.9262823462517593, 0 ], [ 0, 0, 11.55075594 ] ]
[ [ 1.9631411731258797, 0, 1.6414080445599641 ], [ 0, 1.9631411731258797, 9.909347895440035 ], [ 1.9631411731258797, 0, 6.9512061141520425 ], [ 0, 1.9631411731258797, 4.599549825847958 ] ]
[ "Sr", "Sr", "La", "La" ]
0.06283
-12.973391
agm003164964
[ "Li", "Ni" ]
4
2
A3B
Li3Ni
[ [ 2.5601883857465415, 0, 0 ], [ 0, 4.18897668, 0 ], [ -1.1433715430695877, 0, 5.1264646585231395 ] ]
[ [ 1.2800941928732708, 2.09448834, 0 ], [ 1.1076625885198708, 0, 3.9766877335721644 ], [ -0.5716857715347938, 2.09448834, 2.5632323292615697 ], [ 0.3091542541570831, 0, 1.149776924950975 ] ]
[ "Ni", "Li", "Li", "Li" ]
0.082016
-11.272529
agm003190791
[ "Mn", "Ru" ]
4
2
A3B
MnRu3
[ [ -1.345121419612628, -2.329818641118247, 0 ], [ -1.345121419612628, 2.329818641118247, 0 ], [ 0, 0, -8.42615018 ] ]
[ [ 0, 0, -4.21307509 ], [ -1.345121419612628, -0.7766062137060823, -6.409383743618197 ], [ -1.3451214196126282, -0.7766062137060821, -2.016766436381804 ], [ 0, 0, 0 ] ]
[ "Ru", "Ru", "Ru", "Mn" ]
0.039853
-36.850117
agm2000110606
[ "Mn", "S" ]
3
2
A2B
MnS2
[ [ -1.6682260907811615, -2.8894523477449816, 0 ], [ -1.6682260907811615, 2.8894523477449816, 0 ], [ 0, 0, -17.65007877 ] ]
[ [ -1.6682260907811617, 0.9631507825816606, -7.499999963521846 ], [ -1.6682260907811615, -0.9631507825816604, -10.150078806478154 ], [ 0, 0, -8.825039385 ] ]
[ "S", "S", "Mn" ]
0.017038
-19.054537
agm002166827
[ "Mo", "Nb" ]
4
2
A3B
Mo3Nb
[ [ 3.19586762, 0, 0 ], [ 0, 4.52498661, 0 ], [ -1.59793381, -2.262493305, 4.52672132 ] ]
[ [ -1.4348652258294693e-17, -1.615624806456438e-16, 2.2361743939668366 ], [ 1.59793381, 2.262493305, 2.290546926033164 ], [ 1.59793381, 0, 0 ], [ 0, 2.262493305, 0 ] ]
[ "Mo", "Mo", "Mo", "Nb" ]
0.00781
-42.951627
agm002180354
[ "Os", "Re" ]
4
2
A3B
OsRe3
[ [ -2.7672105174433415, 0, 0 ], [ 0, 0, -4.819478180063869 ], [ 1.3836052587216707, -4.4302194232152905, 2.4097390900319344 ] ]
[ [ -1.3836052587216707, 0, -0.8184642914181023 ], [ -1.3836052587216707, -2.2002934186752254, -2.402619443598264 ], [ 3.9788945425209975e-17, -2.2299260045400637, 0.007119646433670468 ], [ 2.3671912260620724e-17, -1.0045929603531021e-16, -3.2123790345014425...
[ "Re", "Re", "Re", "Os" ]
0
-48.826009
agm005014763
[ "O", "Sb", "Sm", "Y" ]
5
4
A2BCD
O2SbSmY
[ [ 3.90908746, 0, 0 ], [ 0, 3.90908746, 0 ], [ -1.95454373, -1.95454373, 6.76454141 ] ]
[ [ 1.95454373, 1.95454373, 4.545134878300834 ], [ -4.3187024857337524e-17, -4.3187024857337524e-17, 2.249679680935096 ], [ 1.95454373, 1.95454373, 0.03160299043172241 ], [ 1.9545437300000001, -6.493705882438415e-18, 3.3513395688211176 ], [ -6.493705...
[ "Sm", "Y", "Sb", "O", "O" ]
0.021348
-38.500012
agm004952341
[ "O", "Sb", "Sr", "Tl" ]
20
4
A6B2CD
O6SbSr2Tl
[ [ 5.85839162067754, 0, 0 ], [ 0, 5.981845790000258, 0 ], [ 0.0013228917720571332, 0, 8.314515303615803 ] ]
[ [ 0.06865354472344244, 0.2753474124550643, 6.227043491815537 ], [ 2.997187909176184, 2.7155754825450646, 2.0697858400076354 ], [ 5.791060967726154, 5.706498377545194, 2.087471811800266 ], [ 2.862526603273413, 3.2662703074551933, 6.244729463608167 ], [ ...
[ "Sr", "Sr", "Sr", "Sr", "Tl", "Tl", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0
-117.698547
agm002299526
[ "O", "Sc", "Sr", "V" ]
10
4
A6B2CD
O6ScSr2V
[ [ -3.984353008971851, -3.984353008971851, 0 ], [ -3.984353008971851, 0, -3.984353008971851 ], [ 0, -3.984353008971851, -3.984353008971851 ] ]
[ [ 0, 0, 0 ], [ -5.976529513457776, -5.976529513457776, -5.976529513457776 ], [ -1.9921765044859263, -1.9921765044859259, -1.9921765044859259 ], [ -3.984353008971851, -2.083639957479861, -3.9843530089718513 ], [ -3.984353008971851, -3.9843530089...
[ "Sc", "Sr", "Sr", "O", "O", "O", "O", "O", "O", "V" ]
0.053589
-74.893526
agm003501767
[ "Bi", "In", "Pb" ]
9
3
A6B2C
Bi2In6Pb
[ [ -3.39117609, 0, 0 ], [ 0, 0, -9.36813907 ], [ 0, -8.38363703, 4.684069535 ] ]
[ [ -1.695588045, -8.38363703, 1.2538619922179968 ], [ -1.695588045, -5.401107016391613, -3.0217806617660226 ], [ -1.695588045, -2.9825300136083848, 1.6622888732339764 ], [ 0, -1.7960609762795332e-16, -6.429648940121703 ], [ 0, -2.622167088819899...
[ "In", "In", "In", "In", "In", "In", "Bi", "Bi", "Pb" ]
0.043183
-27.59651
agm004945510
[ "O", "Sm", "Tl", "V" ]
20
4
A6B2CD
O6SmTlV2
[ [ 1.4217840376055362, 0, -5.869450019357578 ], [ 5.493082771963516, 5.191388738881517, 0 ], [ 5.493082771963516, -5.191388738881517, 0 ] ]
[ [ 6.559420800167667, -1.0919001211990869, -4.4020875145181835 ], [ 5.8485287813649, 1.0919001211990846, -1.4673625048393952 ], [ 6.559420800167667, 3.460465626613939, -4.4020875145181835 ], [ 5.8485287813649, -3.4604656266139395, -1.4673625048393952 ], ...
[ "Sm", "Sm", "Tl", "Tl", "V", "V", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.092857
-146.651433
agm002186425
[ "Ce", "Rh", "Si" ]
8
3
A2BC
CeRhSi2
[ [ 0, 0, 4.16035091 ], [ 4.180059535490261, 0, 0 ], [ -2.0900297677451305, 8.415245495391302, 0 ] ]
[ [ 2.0900297677451305, 7.795760900956088, 3.1202631825 ], [ 1.7922408119837806e-17, 0.6194845944352136, 1.0400877275 ], [ -1.8823065805354486e-16, 4.208693335227575, 3.1202631825 ], [ 2.090029767745131, 4.206552160163727, 1.0400877275 ], [ 2.0900297...
[ "Si", "Si", "Si", "Si", "Rh", "Rh", "Ce", "Ce" ]
0.013149
-55.728536
agm003165533
[ "Pb", "Sc" ]
4
2
A3B
Pb3Sc
[ [ -3.50543085183915, 0, 0 ], [ 0, 0, -5.685275975585398 ], [ 1.752715425919575, -5.5802051640705335, 2.842637987792699 ] ]
[ [ -1.7527154259195754, -2.6494464798163633, -2.7227891296200544 ], [ -3.7441368317329163e-16, -2.930758684254169, 0.1198488581726448 ], [ -1.752715425919575, 0, -4.924879921967251 ], [ -5.990295887277881e-19, -1.0952838491087166e-17, -1.9476587168142598 ...
[ "Pb", "Pb", "Pb", "Sc" ]
0.097203
-17.886629
agm004967068
[ "O", "Tb", "Ti", "V" ]
20
4
A6B2CD
O6Tb2TiV
[ [ -5.363261349335306, 0, 0 ], [ 0, -5.71513415, 0 ], [ 0.09404260272748388, 0, 7.7565649393922405 ] ]
[ [ -2.5050068389229194, -3.250910039846919, 5.834607443379612 ], [ -5.233658814954314, -5.3217911851530815, 1.956324973683491 ], [ -2.764211907684903, -2.464224110153081, 1.9219574960126293 ], [ -0.03555993165350836, -0.39334296484691883, 5.80023996570875 ...
[ "Tb", "Tb", "Tb", "Tb", "Ti", "Ti", "V", "V", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
0.067598
-170.45531
agm003165803
[ "Sc", "Y" ]
4
2
AB
ScY
[ [ 0, 3.43617101, 0 ], [ 1.1023116382812794, 0, -5.779969748508578 ], [ -5.686087801882348, -1.718085505, 0 ] ]
[ [ -0.41994615887753634, 1.718085505, -5.013252830989485 ], [ -4.1638300047235335, -7.916714599853371e-17, -0.7667169175190927 ], [ -3.5230908888671997, 1.718085505, -3.598663959534655 ], [ -1.0606852747338686, -2.6791104285081183e-17, -2.1813057889739227 ...
[ "Y", "Y", "Sc", "Sc" ]
0.064579
-25.340709
agm001147424
[ "Bi", "K", "Tl" ]
4
3
A2BC
BiKTl2
[ [ 4.19705197, 0, 0 ], [ 0, 4.19705197, 0 ], [ 0, 0, 7.90429851 ] ]
[ [ 2.098525985, 2.098525985, 0 ], [ 0, 0, 5.608756007707301 ], [ 0, 0, 2.295542502292699 ], [ 2.098525985, 2.098525985, 3.952149255 ] ]
[ "K", "Tl", "Tl", "Bi" ]
0.055252
-10.318323
agm003185102
[ "Ag", "Ge" ]
4
2
A3B
Ag3Ge
[ [ -1.4813967459482102, -2.5658544301495043, 0 ], [ -1.4813967459482102, 2.5658544301495043, 0 ], [ 0, 0, -9.52439855 ] ]
[ [ 0, 0, -4.762199275 ], [ 0, 0, 0 ], [ -1.4813967459482102, -0.8552848100498351, -2.3814320390093946 ], [ -1.4813967459482105, -0.8552848100498348, -7.142966510990606 ] ]
[ "Ge", "Ag", "Ag", "Ag" ]
0.097019
-12.788597
agm003286640
[ "Si", "Tb" ]
5
2
A3B2
Si2Tb3
[ [ 4.34686679, 0, 0 ], [ 2.173433395, 3.1480132361859745, 4.386807974746037 ], [ 2.173433395, -3.1480132361859745, 4.386807974746037 ] ]
[ [ 0, 0, 0 ], [ 6.520300185000001, 8.736509986963183e-17, 6.144887072745132 ], [ 2.173433395, -2.1482017260844252e-16, 2.628728876746942 ], [ 4.34686679, -1.232949856720364, 4.386807974746037 ], [ 4.34686679, 1.2329498567203636, 4.3868079747...
[ "Tb", "Tb", "Tb", "Si", "Si" ]
0.065406
-27.929702
agm005018233
[ "Os", "Ru", "Sc", "Si" ]
5
4
A2BCD
OsRuScSi2
[ [ 4.13691673, 0, 0 ], [ 0, 4.13691673, 0 ], [ -2.068458365, -2.068458365, 4.66915667 ] ]
[ [ 0, 0, 0 ], [ 2.068458365, 2.068458365, 1.186242675170532 ], [ 9.576729491132599e-17, 9.576729491132599e-17, 3.4829139948294676 ], [ -2.220446049250313e-16, 2.0684583650000006, 2.334578335 ], [ 2.0684583650000006, 0, 2.334578335 ] ]
[ "Sc", "Si", "Si", "Os", "Ru" ]
0.040017
-41.26222
agm003447439
[ "Ce", "Se", "Sm" ]
14
3
A4B2C
Ce2Se4Sm
[ [ 4.06562523, 0, 0 ], [ -2.032812615, 6.99521266, 0 ], [ 0, 0, 14.09325398 ] ]
[ [ -1.1657526039698486e-17, 1.8602809725135574, 6.066643132020533 ], [ 2.032812615, 5.134931687486443, 13.113270122020532 ], [ -1.1657526039698486e-17, 1.8602809725135574, 0.9799838579794665 ], [ 2.032812615, 5.134931687486443, 8.02661084797947 ], [ ...
[ "Ce", "Ce", "Ce", "Ce", "Sm", "Sm", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]
0.073175
-86.084916
agm002188788
[ "Sm", "Tl" ]
4
2
A3B
Sm3Tl
[ [ 4.94395269, 0, 0 ], [ 0, 4.94395269, 0 ], [ 0, 0, 4.94395269 ] ]
[ [ 0, 0, 0 ], [ 0, 2.471976345, 2.471976345 ], [ 2.471976345, 2.471976345, 0 ], [ 2.471976345, 0, 2.471976345 ] ]
[ "Tl", "Sm", "Sm", "Sm" ]
0.011623
-17.31715
agm005537775
[ "Ru", "V" ]
11
2
A6B5
Ru6V5
[ [ 4.2186921517374, 0, 0 ], [ 0, 5.913438288812656, 0 ], [ -2.1093460758687, -2.956719144406328, 6.282635878933373 ] ]
[ [ 0, 2.956719144406328, 0 ], [ 2.1093460758687, 2.956719144406328, 2.0087883208363744 ], [ 4.205429889999182e-17, -5.776328334304715e-17, 4.273847558096999 ], [ 7.223736914212269e-18, 2.9567191444063274, 4.183341099325903 ], [ 2.1093460758687, ...
[ "V", "V", "V", "V", "V", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]
0.055659
-103.126048
agm2000126140
[ "Te", "Zr" ]
3
2
A2B
Te2Zr
[ [ -1.982905808699471, -3.4344936072909364, 0 ], [ -1.982905808699471, 3.4344936072909364, 0 ], [ 0, 0, -18.62540145 ] ]
[ [ -1.9829058086994715, 1.1448312024303118, -16.81270120299407 ], [ -1.982905808699471, -1.1448312024303116, -1.8127002470059277 ], [ 0, 0, 0 ] ]
[ "Te", "Te", "Zr" ]
0.014089
-17.433477
agm001828859
[ "Tl", "Tm" ]
4
2
A3B
Tl3Tm
[ [ 4.7487137100000005, 0, 0 ], [ 0, 4.7487137100000005, 0 ], [ 0, 0, 4.7487137100000005 ] ]
[ [ 0, 2.3743568550000003, 0 ], [ 0, 0, 2.3743568550000003 ], [ 2.3743568550000003, 0, 0 ], [ 2.3743568550000003, 2.3743568550000003, 2.3743568550000003 ] ]
[ "Tl", "Tl", "Tl", "Tm" ]
0
-12.290955
agm003672381
[ "Bi", "K", "Tl" ]
13
3
A8B4C
Bi4KTl8
[ [ 0, 0, -6.49423328 ], [ -5.90139755553993, -5.90139755553993, -3.24711664 ], [ -5.90139755553993, 5.90139755553993, -3.24711664 ] ]
[ [ 0, 0, 0 ], [ -4.22071482207954, -1.11476518086837e-16, -6.49423328 ], [ -7.58208028900032, 1.11476518086837e-16, -6.494233280000001 ], [ -5.90139755553993, -1.68068273346039, -9.741349920000001 ], [ -5.90139755553993, 1.6806827334603904, ...
[ "K", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Tl", "Bi", "Bi", "Bi", "Bi" ]
0.066305
-36.023429
agm004998921
[ "Pb", "Pd", "Rb", "Sb" ]
10
4
A2BCD
PbPd2RbSb
[ [ 0, -4.67479329, 0 ], [ -7.573295361918931, 0, 0 ], [ 3.2815841192331674, 0, -9.167042240407572 ] ]
[ [ -2.974617213481956, -3.5060949675, -7.205533452388181 ], [ -1.3170940292038067, -1.1686983225, -1.9615087880193904 ], [ 1.0409584284925333, -3.5060949675, -8.054218681357225 ], [ -5.332669671178297, -1.1686983225, -1.1128235590503464 ], [ -5.5806...
[ "Rb", "Rb", "Sb", "Sb", "Pd", "Pd", "Pd", "Pd", "Pb", "Pb" ]
0.068092
-41.544004
agm005960171
[ "Bi", "La", "O" ]
14
3
A3B3C
BiLa3O3
[ [ 0, 0, -4.25258599 ], [ -4.891425331888816, -8.472197196260886, 0 ], [ -4.891425331888816, 8.472197196260886, 0 ] ]
[ [ -3.9734079572535346, -5.358082432521712, -3.1894394925 ], [ -7.544956855396972, -2.3520837494192364, -3.1894394925 ], [ -3.1559111830159408, -0.7620310143199372, -3.1894394925 ], [ -5.809442706524098, 5.358082432521712, -1.0631464975 ], [ -2.2378...
[ "La", "La", "La", "La", "La", "La", "Bi", "Bi", "O", "O", "O", "O", "O", "O" ]
0.097344
-104.560497
agm002386677
[ "N", "Ti" ]
5
2
A3B2
N2Ti3
[ [ -1.5133447532864333, -2.62119000205989, 0 ], [ -1.5133447532864333, 2.62119000205989, 0 ], [ 0, 0, -7.19466208 ] ]
[ [ -1.5133447532864333, -0.87373000068663, -5.9421713457282905 ], [ -1.5133447532864326, 0.8737300006866301, -1.2524907342717084 ], [ 0, 0, 0 ], [ -1.5133447532864333, -0.87373000068663, -2.343809598438708 ], [ -1.5133447532864326, 0.87373000068...
[ "N", "N", "Ti", "Ti", "Ti" ]
0.088716
-47.447947
agm001149966
[ "Co", "Er", "Nb" ]
4
3
A2BC
Co2ErNb
[ [ 3.12008318, 0, 0 ], [ 0, 3.12008318, 0 ], [ 0, 0, 6.70035708 ] ]
[ [ 1.56004159, 1.56004159, 0 ], [ 0, 0, 5.335963501806741 ], [ 0, 0, 1.364393578193259 ], [ 1.56004159, 1.56004159, 3.35017854 ] ]
[ "Nb", "Co", "Co", "Er" ]
0.091756
-29.361528
agm005920080
[ "Co", "Er", "Os" ]
10
3
A3BC
CoEr3Os
[ [ -4.289475644156962, 0, 0 ], [ 0, 0, -5.954731100481304 ], [ 0, -8.538656410675905, 0 ] ]
[ [ 0, -6.000134096397651, -4.407714648101754 ], [ 0, -4.269328205337953, -1.4391562642533353 ], [ 0, -2.538522314278255, -4.407714648101754 ], [ -2.144737822078481, -6.807850519616207, -1.5470164523795498 ], [ -2.144737822078481, -1.730805891059...
[ "Er", "Er", "Er", "Er", "Er", "Er", "Co", "Co", "Os", "Os" ]
0.054216
-66.434747
agm002152389
[ "Au", "Ge" ]
4
2
AB
AuGe
[ [ -2.047977914037472, -3.5472017998918277, 0 ], [ -2.047977914037472, 3.5472017998918277, 0 ], [ 0, 0, -5.63381832 ] ]
[ [ -2.047977914037472, -1.182400599963943, -4.22536374 ], [ -2.0479779140374723, 1.1824005999639429, -1.40845458 ], [ 0, 0, -2.81690916 ], [ 0, 0, 0 ] ]
[ "Ge", "Ge", "Au", "Au" ]
0.035408
-15.658948
agm003188609
[ "Au", "Li" ]
4
2
A3B
Au3Li
[ [ 2.89553744, 0, 0 ], [ 0, 4.15449951, 0 ], [ 0, 0, 5.68124337 ] ]
[ [ 1.44776872, 2.077249755, 4.310857135363079 ], [ 0, 0, 2.840621685 ], [ 1.44776872, 2.077249755, 1.3703862346369207 ], [ 0, 0, 0 ] ]
[ "Au", "Au", "Au", "Li" ]
0.043707
-12.988021
mp-1186018
[ "Au", "Na" ]
4
2
A3B
AuNa3
[ [ -3.6851646337894137, -3.6851646337894137, 0 ], [ -3.6851646337894137, 0, -3.6851646337894137 ], [ 0, -3.6851646337894137, -3.6851646337894137 ] ]
[ [ -1.8425823168947069, -1.8425823168947069, -1.8425823168947069 ], [ -5.52774695068412, -5.52774695068412, -5.52774695068412 ], [ -3.6851646337894137, -3.6851646337894133, -3.6851646337894133 ], [ 0, 0, 0 ] ]
[ "Na", "Na", "Na", "Au" ]
0.032475
-7.970306
agm003185589
[ "Pb", "Se" ]
4
2
AB
PbSe
[ [ -2.1289906701558614, -3.687520009550065, 0 ], [ -2.1289906701558614, 3.687520009550065, 0 ], [ 0, 0, -7.6452658 ] ]
[ [ -2.1289906701558614, -1.2291733365166888, -5.73394935 ], [ -2.1289906701558614, 1.229173336516689, -1.9113164500000008 ], [ 0, 0, 0 ], [ 0, 0, -3.8226329 ] ]
[ "Pb", "Pb", "Se", "Se" ]
0.085835
-16.3115
agm003206554
[ "B", "Fe" ]
10
2
A4B
B4Fe
[ [ 0, 0, 3.00363327 ], [ 4.51571578, 0, 0 ], [ 0, 5.28456494, 0 ] ]
[ [ 2.25785789, 2.64228247, 1.501816635 ], [ 0, 0, 0 ], [ 3.383023572940421, 0.9907681496263466, 1.501816635 ], [ 1.1326922070595788, 4.293796790373653, 1.501816635 ], [ 1.125165682940421, 1.6515143203736533, 0 ], [ 3.3905500970595788...
[ "Fe", "Fe", "B", "B", "B", "B", "B", "B", "B", "B" ]
0.009802
-72.050998
agm001418019
[ "B", "Mo" ]
4
2
AB
BMo
[ [ 0, -3.0885266, 0 ], [ -3.1722032864712704, 0, 0 ], [ 1.5740975027526989, 0, -4.273753584215356 ] ]
[ [ -0.012934070017975967, -2.31639495, -3.0409744474484275 ], [ -1.5851717137005954, -0.77213165, -1.2327791367669287 ], [ 0.0038971634608809345, -2.31639495, -0.5092476985718846 ], [ -1.6020029471794526, -0.77213165, -3.764505885643471 ] ]
[ "Mo", "Mo", "B", "B" ]
0.012648
-37.012619
agm001190694
[ "Ce", "Sc" ]
4
2
A3B
CeSc3
[ [ 4.67718663, 0, 0 ], [ 0, 4.67718663, 0 ], [ 0, 0, 4.67718663 ] ]
[ [ 0, 2.338593315, 2.338593315 ], [ 2.338593315, 0, 2.338593315 ], [ 2.338593315, 2.338593315, 0 ], [ 0, 0, 0 ] ]
[ "Sc", "Sc", "Sc", "Ce" ]
0.0738
-24.641867
agm001416939
[ "Co", "Cu" ]
4
2
AB
CoCu
[ [ 2.5514640049149815, 0, 0 ], [ 0, 2.5514640049149815, 0 ], [ 0, 0, 7.056576242079973 ] ]
[ [ 1.2757320024574907, 0, 2.7375542966846003 ], [ 0, 1.2757320024574907, 4.319021945395372 ], [ 1.2757320024574907, 0, 6.1452951374784215 ], [ 0, 1.2757320024574907, 0.9112811046015512 ] ]
[ "Co", "Co", "Cu", "Cu" ]
0.091068
-22.045968
agm003187554
[ "Co", "Ni" ]
4
2
A3B
Co3Ni
[ [ 0, 2.493893010343711, 0 ], [ 2.034501866203963, 0, -3.8194084682354723 ], [ -4.572985597146664, -1.2469465051718556, 0 ] ]
[ [ -3.8919546576216515, 1.2469465051718558, -1.2736121944186096 ], [ -1.7695334684685953, -4.032710473757924e-17, -0.9531195187954224 ], [ -0.7630585885030831, 1.2469465051718556, -2.8681825739645164 ], [ -2.87658279795431, -5.1888990880863756e-17, -3.18114...
[ "Ni", "Co", "Co", "Co" ]
0.021044
-27.123184
agm001103399
[ "Cl", "Eu", "In" ]
5
3
A3BC
Cl3EuIn
[ [ 5.59758438, 0, 0 ], [ 0, 5.59758438, 0 ], [ 0, 0, 5.59758438 ] ]
[ [ 0, 0, 0 ], [ 0, 2.79879219, 0 ], [ 0, 0, 2.79879219 ], [ 2.79879219, 0, 0 ], [ 2.79879219, 2.79879219, 2.79879219 ] ]
[ "Eu", "Cl", "Cl", "Cl", "In" ]
0.093566
-26.86617
agm001959481
[ "Cl", "Eu", "Ir" ]
4
3
A2BC
ClEu2Ir
[ [ -2.0738235891740526, -3.5919678223843055, 0 ], [ -4.147647178348105, 0, 0 ], [ -2.0738235891740526, -1.1973226074614352, -7.38453581 ] ]
[ [ -2.073823589174053, -1.1973226074614354, -1.5947779410734892 ], [ -6.221470767522158, -3.591967822384305, -5.7897578689265075 ], [ -3.011595739526406e-17, -2.7614125464436925e-17, 0 ], [ -4.147647178348105, -2.394645214922871, -3.692267905 ] ]
[ "Eu", "Eu", "Ir", "Cl" ]
0.097289
-35.368411
agm003293585
[ "Dy", "Sc" ]
4
2
AB
DySc
[ [ 0, 0, -3.52873023 ], [ -3.8231872198847503, -4.145276418375049, 0 ], [ -3.8231872198847503, 4.145276418375049, 0 ] ]
[ [ -3.8231872198847503, 2.375979671726335, -1.764365115 ], [ -3.8231872198847503, -2.375979671726335, -1.764365115 ], [ -5.39676650122633, 3.770933806163632e-17, 0 ], [ -2.24960793854317, -3.770933806163632e-17, 0 ] ]
[ "Dy", "Dy", "Sc", "Sc" ]
0.050885
-21.673448
agm002147410
[ "Er", "Pt" ]
4
2
AB
ErPt
[ [ -3.75054974, 0, 0 ], [ 0, 0, -4.4219399 ], [ 1.87527487, -5.25104644, 0 ] ]
[ [ -3.510586909133906e-16, -4.325147799897341, -1.105484975 ], [ -1.8752748700000006, -0.9258986401026589, -3.316454925 ], [ -2.587222839682198e-16, -1.456097691827356, -1.105484975 ], [ -1.8752748700000001, -3.7949487481726436, -3.316454925 ] ]
[ "Pt", "Pt", "Er", "Er" ]
0.012129
-26.463986
mp-2191
[ "Er", "Sb" ]
2
2
AB
ErSb
[ [ -3.07917962, -3.07917962, 0 ], [ -3.07917962, 0, -3.07917962 ], [ 0, -3.07917962, -3.07917962 ] ]
[ [ 0, 0, 0 ], [ -3.07917962, -3.07917962, -3.07917962 ] ]
[ "Er", "Sb" ]
0
-10.874047
agm003186053
[ "Fe", "Ir" ]
4
2
A3B
FeIr3
[ [ 2.7138993427491633, 0, 0 ], [ 0, 3.79174769, 0 ], [ 0, 0, 5.417327396784731 ] ]
[ [ 1.3569496713745817, 1.895873845, 1.3257146547028453 ], [ 0, 0, 2.7086636983923653 ], [ 1.3569496713745817, 1.895873845, 4.091612742081885 ], [ 0, 0, 0 ] ]
[ "Ir", "Ir", "Ir", "Fe" ]
0.014173
-35.193566
agm003188608
[ "Fe", "Ni" ]
4
2
A3B
FeNi3
[ [ 2.494809378819677, 0, 0 ], [ 0, 2.494809378819677, 0 ], [ 0, 0, 7.12018802 ] ]
[ [ 1.2474046894098385, 1.2474046894098385, 5.333425396063296 ], [ 0, 0, 3.56009401 ], [ 1.2474046894098385, 1.2474046894098385, 1.7867626239367038 ], [ 0, 0, 0 ] ]
[ "Ni", "Ni", "Ni", "Fe" ]
0.057387
-25.942998
agm2000126944
[ "H", "Pt" ]
4
2
A3B
H3Pt
[ [ 2.6837805787962177, 0, 0 ], [ 0.006469266868640548, 0, -3.426995325850711 ], [ 0, 17.28618259, 0 ] ]
[ [ 1.3451249228324291, 9.786183161358402, -1.7134976629253555 ], [ 1.3451249228324291, 7.499999428641598, -1.7134976629253555 ], [ 0, 8.643091295, 0 ], [ 0.0032346334343202744, 8.643091295, -1.7134976629253555 ] ]
[ "H", "H", "H", "Pt" ]
0.058187
-16.012263
agm003164415
[ "Hg", "Mg" ]
4
2
A3B
Hg3Mg
[ [ 0, -3.496366598915268, 0 ], [ -4.85827274220636, 1.748183299457634, 0 ], [ 1.3810944596646109, 0, -5.592337850182908 ] ]
[ [ -5.393766258306298e-16, -1.7481832994576338, 0 ], [ -2.034092278979852, 4.6944163386880245e-17, -1.3086371437204347 ], [ -1.4430860035618969, -1.748183299457634, -4.283700706462473 ], [ -4.167725512374054, -1.748183299457634, -2.796168925091454 ] ]
[ "Mg", "Hg", "Hg", "Hg" ]
0.035912
-2.807847
mp-981382
[ "Hg", "Mg" ]
6
2
A5B
Hg5Mg
[ [ -2.8044944753441747, -4.857526920842332, 0 ], [ -5.6089889506883495, 0, 0 ], [ -2.8044944753441747, -1.6191756402807773, -5.580682470000167 ] ]
[ [ -2.804494475344175, -4.857526920842332, -1.239160434263235e-15 ], [ -3.68931051916913, -3.238351280561555, -2.7903412350000862 ], [ -6.568828166447959, -4.900841569354265, -2.7903412350000862 ], [ -6.568828166447959, -1.575860991768844, -2.79034123500008...
[ "Mg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
0.051647
-3.252468
agm003209768
[ "Hg", "Sr" ]
12
2
A2B
HgSr2
[ [ 8.06721636, 0, 0 ], [ 0, 8.06721636, 0 ], [ 0, 0, 8.06721636 ] ]
[ [ 4.03360818, 0, 4.03360818 ], [ 0, 4.03360818, 4.03360818 ], [ 0, 0, 0 ], [ 4.03360818, 4.03360818, 0 ], [ 1.243751546183604, 5.277359726183603, 6.823464813816397 ], [ 6.823464813816396, 2.7898566338163966, 1.24375154618360...
[ "Hg", "Hg", "Hg", "Hg", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr", "Sr" ]
0.075092
-18.327107
agm003296261
[ "Hg", "Tb" ]
4
2
A3B
HgTb3
[ [ 3.61532008, 0, 0 ], [ 0, 3.61532008, 0 ], [ 0, 0, 8.92690409 ] ]
[ [ 0, 0, 4.463452045 ], [ 1.80766004, 1.80766004, 1.9894841248091069 ], [ 1.80766004, 1.80766004, 6.937419965190894 ], [ 0, 0, 0 ] ]
[ "Tb", "Tb", "Tb", "Hg" ]
0.01304
-15.103304
agm001280526
[ "Hg", "Ti" ]
4
2
A3B
HgTi3
[ [ 4.03931612, 0, 0 ], [ 0, 4.03931612, 0 ], [ -2.01965806, -2.01965806, 4.33997662 ] ]
[ [ 0, 0, 0 ], [ 2.0196580600000003, 0, 2.16998831 ], [ -2.220446049250313e-16, 2.0196580600000003, 2.16998831 ], [ 2.01965806, 2.01965806, 0 ] ]
[ "Hg", "Ti", "Ti", "Ti" ]
0.065751
-24.130122
agm001828527
[ "Hg", "Zn" ]
4
2
A3B
Hg3Zn
[ [ 3.44841725, 0, 0 ], [ 0, 3.88443716, 0 ], [ 0, 0, 7.57079147 ] ]
[ [ 0, 0, 0.04660253684898705 ], [ 1.724208625, 0, 4.034849755664509 ], [ 1.724208625, 1.94221858, 6.414378889356413 ], [ 0, 1.94221858, 2.1221571250605793 ] ]
[ "Zn", "Hg", "Hg", "Hg" ]
0.08837
-1.836759
agm003377203
[ "Co", "Hf", "Ti" ]
11
3
A4B4C3
Co4Hf3Ti4
[ [ 4.05352905, 0, 0 ], [ 0, 6.51888711, 0 ], [ -2.026764525, -3.259443555, 6.60823795 ] ]
[ [ 2.2640599053099563e-17, 3.616943928955969e-17, 1.477214498546612 ], [ 2.026764525, 3.259443555, 5.131023451453387 ], [ 0, 3.259443555, 0 ], [ 5.382686249848233e-17, -1.3415454419271096, 4.370037800856683 ], [ 2.0267645250000004, 1.91789811307...
[ "Hf", "Hf", "Hf", "Ti", "Ti", "Ti", "Ti", "Co", "Co", "Co", "Co" ]
0.080295
-92.640734