LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Li", "O", "Sb", "Sc" ]

11

A4B3C2D2

Li2O2Sb3Sc4

Li2 Sc4 Sb3 O2

4

[ 1, 1, 1 ]

3

[ [ 4.34927373, 0, 0 ], [ 0, 4.34927373, 0 ], [ -2.17463687, -2.17463686, 11.58397081 ] ]

agm004489476

[ [ 0.0000021498377673928594, -0.000002193330504419518, 7.072545304566638 ], [ 2.1746347101622328, 2.1746390633305044, 4.511425505433362 ], [ -0.0000022004707839217696, 2.174639021978047, 9.470013019440472 ], [ 2.1746346645292163, 0.000002156978046759729, 9.470013019440472 ], [ 0.0000021954707841235375, 2.174634713021953, 2.1139577905595273 ], [ 2.174639060470784, -0.0000021519780468407802, 2.1139577905595273 ], [ 0, 0, 0 ], [ 0.000002151092837911643, -0.000002194585575263434, 4.164804602229969 ], [ 2.174634708907162, 2.174639064585575, 7.419166207770032 ], [ 1.7671013494545018e-8, 2.5821723745009313e-8, 9.441759019596635 ], [ 2.174636842328986, 2.174636844178276, 2.1422117904033655 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]

[ "Li", "Li", "Sc", "Sc", "Sc", "Sc", "Sb", "Sb", "Sb", "O", "O" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.18181818181818182, 0.2727272727272727, 0.36363636363636365 ]

[ [ -0.01438506, 0, 0 ], [ 0, -0.01438506, 0 ], [ 0, 0, 0.16795866 ] ]

-68.674133

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00601789 ], [ 0, 0, 0.00601789 ], [ 0, 0, -0.00252483 ], [ 0, 0, -0.00252483 ], [ 0, 0, 0.00252483 ], [ 0, 0, 0.00252483 ], [ 0, 0, 0 ], [ 0, 0, -0.00401177 ], [ 0, 0, 0.00401177 ], [ 0, 0, -0.00204771 ], [ 0, 0, 0.00204771 ] ]

-0.000019

2.401533

pbe

true

c0ccadbf1ebad43d4af62a859f2199b1_139_Li2Sc4Sb3O2

[ "Li", "O", "Sc", "Si" ]

28

A4BCD

LiO4ScSi

Li4 Sc4 Si4 O16

4

[ 1, 1, 1 ]

3

[ [ 4.86454136, 0, 0 ], [ 0, 6.03017105, 0 ], [ 0, 0, 10.53106893 ] ]

agm003236341

[ [ 0, 0, 0 ], [ 2.43227068, 0, 5.265534465 ], [ 0, 3.015085525, 0 ], [ 2.43227068, 3.015085525, 5.265534465 ], [ 2.45653812561015, 1.5075427625, 2.37305453890798 ], [ 4.840273914389849, 1.5075427625, 7.638589003907979 ], [ 2.4080032343898496, 4.5226282875, 8.15801439109202 ], [ 0.024267445610150398, 4.5226282875, 2.89247992609202 ], [ 2.752690965798228, 4.5226282875, 0.9642551060200076 ], [ 2.1118503942017717, 1.5075427625, 9.566813823979993 ], [ 4.5441210742017715, 4.5226282875, 6.2297895710200075 ], [ 0.32042028579822796, 1.5075427625, 4.3012793589799925 ], [ 3.8180756284142356, 3.253677142117325, 7.0437097715687615 ], [ 1.046465731585764, 2.7764939078826747, 3.4873591584312384 ], [ 3.4787364115857637, 3.253677142117325, 1.7781753065687613 ], [ 3.8180756284142356, 5.791579432882674, 7.0437097715687615 ], [ 1.385804948414236, 0.2385916171173255, 8.75289362343124 ], [ 3.730286758498137, 1.5075427625, 9.46955518998387 ], [ 1.385804948414236, 2.7764939078826747, 8.75289362343124 ], [ 1.046465731585764, 0.2385916171173255, 3.4873591584312384 ], [ 1.1342546015018622, 4.5226282875, 1.0615137400161296 ], [ 3.566525281501862, 1.5075427625, 4.20402072498387 ], [ 3.9144853898831125, 4.5226282875, 4.719887242733706 ], [ 1.2980160784981374, 4.5226282875, 6.327048205016129 ], [ 3.382326650116887, 4.5226282875, 9.985421707733707 ], [ 1.4822147098831127, 1.5075427625, 0.5456472222662937 ], [ 0.9500559701168871, 1.5075427625, 5.811181687266294 ], [ 3.4787364115857637, 5.791579432882674, 1.7781753065687613 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Li", "Li", "Li", "Li", "Sc", "Sc", "Sc", "Sc", "Si", "Si", "Si", "Si", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.5714285714285714, 0.14285714285714285, 0.14285714285714285 ]

[ [ 0.7418542, 0, 0 ], [ 0, 0.81397945, 0 ], [ 0, 0, 0.70058537 ] ]

-217.284778

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0000768, 0, -0.00131573 ], [ -0.0000768, 0, -0.00131573 ], [ -0.0000768, 0, 0.00131573 ], [ 0.0000768, 0, 0.00131573 ], [ -0.00236692, 0, -0.00018782 ], [ 0.00236692, 0, 0.00018782 ], [ 0.00236692, 0, -0.00018782 ], [ -0.00236692, 0, 0.00018782 ], [ 0.00047733, 0.00074202, 0.00036101 ], [ -0.00047733, -0.00074202, -0.00036101 ], [ -0.00047733, 0.00074202, 0.00036101 ], [ 0.00047733, -0.00074202, 0.00036101 ], [ 0.00047733, 0.00074202, -0.00036101 ], [ 0.00328856, 0, 0.0016187 ], [ 0.00047733, -0.00074202, -0.00036101 ], [ -0.00047733, 0.00074202, -0.00036101 ], [ -0.00328856, 0, -0.0016187 ], [ -0.00328856, 0, 0.0016187 ], [ -0.00178652, 0, -0.00194759 ], [ 0.00328856, 0, -0.0016187 ], [ 0.00178652, 0, -0.00194759 ], [ -0.00178652, 0, 0.00194759 ], [ 0.00178652, 0, 0.00194759 ], [ -0.00047733, -0.00074202, 0.00036101 ] ]

-0.000013

0

pbe

true

0dffbbb6649e4b6553004fd6283d0bbf_62_Li4Sc4Si4O16

[ "Li", "Pt", "Rb", "Sn" ]

5

A2BCD

Li2PtRbSn

Rb1 Li2 Sn1 Pt1

4

[ 1, 1, 1 ]

3

[ [ 5.22876753, 0, 0 ], [ 0, 5.22876753, 0 ], [ 0, 0, 5.06469282 ] ]

agm001639337

[ [ 2.614383765, 2.614383765, 2.53234641 ], [ 0, 0, 2.53234641 ], [ 0, 0, 0 ], [ 0, 2.614383765, 0 ], [ 2.614383765, 0, 0 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Rb", "Sn", "Pt", "Li", "Li" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 2.2345467, 0, 0 ], [ 0, 2.2345467, 0 ], [ 0, 0, 2.0059397 ] ]

-16.429753

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.403974

pbe

true

8db594a7cb5f9ea42d317a1a37c5f474_123_Rb1Li2Sn1Pt1

[ "Li", "Rb", "Se", "Th" ]

12

A3BCD

LiRbSe3Th

Rb2 Li2 Th2 Se6

4

[ 1, 1, 1 ]

3

[ [ 4.37828406, 0, 0 ], [ 0, 9.50087839, -0.16636811 ], [ 0, -2.67367516, 9.42330034 ] ]

agm005025339

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[{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Li", "Li", "Th", "Th", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ -0.00444437, 0, 0 ], [ 0, 0.12466958, 0.06347309 ], [ 0, 0.06347315, 0.07783694 ] ]

-60.270969

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0.00031909, 0.00103862 ], [ 0, -0.00031909, -0.00103862 ], [ 0, -0.00079914, -0.00665119 ], [ 0, 0.00079914, 0.00665119 ], [ 0, -0.00031105, 0.00363091 ], [ 0, 0.00031105, -0.00363091 ], [ 0, -0.00513279, 0.00138077 ], [ 0, 0.00513279, -0.00138077 ], [ 0, 0.00371167, -0.00123252 ], [ 0, -0.00371167, 0.00123252 ], [ 0, 0.00204626, 0.00114511 ], [ 0, -0.00204626, -0.00114511 ] ]

0.000001

0

pbe

true

ecd00961a533681fd31a13fe11e1984d_11_Rb2Li2Th2Se6

[ "Li", "Se", "Ti", "U" ]

12

A6B3C2D

Li3Se6Ti2U

Li3 U1 Ti2 Se6

4

[ 1, 1, 1 ]

3

[ [ 6.6222951, -0.00618561, -0.00249122 ], [ -3.31489349, 5.73291477, -0.00249122 ], [ -1.10534094, -1.91388557, 6.49511838 ] ]

agm004623144

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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Li", "Li", "Li", "U", "Ti", "Ti", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.16666666666666666, 0.08333333333333333 ]

[ [ 1.0320178, -0.04522646, 0.03124724 ], [ -0.04522646, 0.97982866, 0.05410425 ], [ 0.03124724, 0.05410425, 1.0587156 ] ]

-68.109256

[ -0.003, -0.003, -0.003, 2.346, 1.107, 1.107, -0.044, -0.043, -0.044, -0.044, -0.043, -0.044 ]

[ [ -0.00054636, 0.00031554, 0 ], [ 0.00054636, -0.00031554, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00118586, 0.00068488, 0 ], [ 0.00118586, -0.00068488, 0 ], [ -0.00084715, -0.00206203, 0.00227684 ], [ 0.00025055, 0.00043382, -0.00539311 ], [ 0.00084715, 0.00206203, -0.00227684 ], [ -0.00136269, -0.00176428, 0.00227684 ], [ -0.00025055, -0.00043382, 0.00539311 ], [ 0.00136269, 0.00176428, -0.00227684 ] ]

5.002344

7.560041

pbe

true

4195e93c4e79f322b4e69cd1a89dceef_12_Li3U1Ti2Se6

[ "Li", "Tb", "Te", "U" ]

16

A8B4C3D

Li4Tb3Te8U

Li4 Tb3 U1 Te8

4

[ 1, 1, 1 ]

3

[ [ 8.70554964, 0, 0 ], [ 0, 8.67849587, -0.02708614 ], [ -4.35277482, -4.34868063, 6.15792741 ] ]

agm004731743

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Li", "Li", "Li", "Li", "Tb", "Tb", "Tb", "U", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.1875, 0.5, 0.0625 ]

[ [ 0.52262425, 0, 0 ], [ 0, 0.4414737, -0.04891735 ], [ 0, -0.04891675, 0.505788 ] ]

-76.380272

[ -0.004, 0, 0, 0, 0.052, 0.052, 0.052, 2.638, -0.024, -0.024, 0, -0.024, -0.024, 0, -0.024, -0.024 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00058982, -0.00003764, -0.00140328 ], [ 0, 0.00041467, -0.00197613 ], [ 0, -0.00156306, 0.00058841 ], [ 0.00058982, -0.00003764, -0.00140328 ], [ -0.00058982, 0.00003764, 0.00140328 ], [ 0, 0.00156306, -0.00058841 ], [ 0, -0.00041467, 0.00197613 ], [ 0.00058982, 0.00003764, 0.00140328 ] ]

2.946126

6.210063

pbe

true

13044e49d8e891b7ae7669f12e0a8f6d_166_Li4Tb3U1Te8

[ "Lu", "Nd", "Pu", "Y" ]

4

ABCD

LuNdPuY

Nd1 Y1 Lu1 Pu1

4

[ 1, 1, 1 ]

3

[ [ 5.61937646, 0, 0 ], [ 2.80968823, 4.86652277, 0 ], [ 2.80968823, 1.62217426, 4.58820167 ] ]

agm001914381

[ [ 2.80968823, 1.6221742575000002, 1.1470504175 ], [ 8.42906469, 4.866522772500001, 3.4411512525 ], [ 0, 0, 0 ], [ 5.61937646, 3.2443485150000004, 2.294100835 ] ]

[{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Lu", "Nd", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.3375597, 0, 0 ], [ 0, 2.3375597, 0 ], [ 0, 0, 2.3375597 ] ]

-29.277575

[ 0.104, 0.098, -0.031, 5.504 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.158564

11.272866

pbe

true

474308d4cdb14137b17a1e4427f04767_216_Nd1Y1Lu1Pu1

[ "Lu", "Pr", "Sn", "Tl" ]

4

ABCD

LuPrSnTl

Pr1 Lu1 Tl1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 5.41840621, 0, 0 ], [ 2.7092031, 4.69247742, 0 ], [ 2.7092031, 1.56415914, 4.42411014 ] ]

agm001337010

[ [ 0, 0, 0 ], [ 2.7092031025, 1.5641591400000001, 1.106027535 ], [ 5.418406205, 3.1283182800000002, 2.21205507 ], [ 8.127609307499998, 4.69247742, 3.318082605 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Pr", "Tl", "Lu", "Sn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.080359, 0, 0 ], [ 0, 2.080359, 0 ], [ 0, 0, 2.080359 ] ]

-17.361903

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000303

3.602031

pbe

true

a9c916a655a7f39f22a820e0deb144e8_216_Pr1Lu1Tl1Sn1

[ "Lu", "Ni", "Pm", "Sn" ]

4

ABCD

LuNiPmSn

Pm1 Lu1 Ni1 Sn1

4

[ 1, 1, 1 ]

3

[ [ 5.11749871, 0, 0 ], [ 2.55874935, 4.43188389, 0 ], [ 2.55874935, 1.47729463, 4.1784202 ] ]

agm001333878

[ [ 7.676248057499999, 4.43188389, 3.1338151499999998 ], [ 5.117498704999999, 2.95458926, 2.0892101 ], [ 2.5587493524999996, 1.47729463, 1.04460505 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Ni", "Lu", "Sn", "Pm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -2.626633, 0, 0 ], [ 0, -2.626633, 0 ], [ 0, 0, -2.626633 ] ]

-20.677791

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000226

2.092589

pbe

true

e92bde38ebbbbbc28b0ac0c7179db3c1_216_Pm1Lu1Ni1Sn1

[ "Lu", "Pu", "Th", "Tl" ]

4

ABCD

LuPuThTl

Lu1 Pu1 Th1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 5.38973288, 0, 0 ], [ 2.69486644, 4.66764559, 0 ], [ 2.69486644, 1.55588186, 4.40069846 ] ]

agm001394783

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}]

[ "Tl", "Lu", "Th", "Pu" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 3.5176716, 0, 0 ], [ 0, 3.5176716, 0 ], [ 0, 0, 3.5176716 ] ]

-28.001533

[ 0.032, -0.119, -0.438, -5.444 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-6.522472

10.711657

pbe

true

f80bc6c7de73940b1144dab828a5c767_216_Lu1Pu1Th1Tl1

[ "Mg", "Mo", "Na", "O" ]

37

A24B6C5D2

Mg5Mo6Na2O24

Mg5 Mo6 Na2 O24

4

[ 1, 1, 1 ]

3

[ [ -0.03723432, 0.01233839, 7.05420364 ], [ -3.84304916, 7.51098391, -1.99609978 ], [ -6.63751477, -7.55596297, -2.64893078 ] ]

mp-1221409

[ [ -1.975632011072085, 3.7230750627444174, -0.9841804965400165 ], [ -3.128287385254409, -0.07225575877440127, 0.6371910509440599 ], [ -4.401112669617869, 6.38285829595804, 0.4942982658886058 ], [ -6.164338311460474, -6.421351919326524, 1.9681780587478879 ], [ -6.2940486403045455, 2.3599368811565395, 3.8693284872488816 ], [ -4.166216033730615, -2.4049180445025846, -1.4918949542844901 ], [ -7.4351463003092615, 0.15255268530941724, 1.8108893906187025 ], [ -5.356979218997419, 2.74624490263189, 0.3947752934922849 ], [ -5.267960199887291, -2.7344885237790892, 1.981493038854961 ], [ -4.599984407110313, 5.538919578250843, 3.9818867464204426 ], [ -5.8465647936290335, -5.619957850863389, -1.5648376446949106 ], [ -2.8989458920377014, 0.7366283839217438, 4.242625551979296 ], [ -7.617418192256861, -0.7520456394381929, -1.789215544175462 ], [ -6.245934257091358, 2.5626316289908058, -1.131779503707435 ], [ -4.351430971310689, -2.59040819143452, 3.49864631764735 ], [ -4.221580049048558, 6.691590453743964, 2.5949951486343728 ], [ -6.187108545820563, -6.725140218262927, -0.13633389067016966 ], [ -3.180056802208458, 4.56775385767804, 4.249240816083978 ], [ -7.274488676043026, -4.693817059409903, -1.9129511852235366 ], [ -0.9697032109342834, -1.054624548014845, 0.44628039742023584 ], [ -9.342272703872913, 0.95160251774593, 1.9698216903820116 ], [ -5.0548503981562165, 4.473719048861292, 0.737529125657921 ], [ -5.693328350597464, -4.458196103737893, 1.762520155575324 ], [ -3.7615980837260166, 2.0297121337749036, 0.12359008824193596 ], [ -6.767234938682579, -1.7125743659287949, 2.1163201005397347 ], [ -1.5400534819074334, 1.7546857992449958, 4.853272258883609 ], [ -8.966826455539668, -1.801657920510241, -2.3236258860422003 ], [ -4.348444604688167, 1.70747936064441, 3.895081842274892 ], [ -6.175084410091886, -1.736023068519235, -1.5544302072464855 ], [ -5.9955332626567, 4.400709444954769, 3.6642337769233944 ], [ -4.501656445334497, -4.452411636270715, -1.259911694106958 ], [ -3.3191526896614514, -0.543114826910783, 5.452303190042946 ], [ -7.255408582438397, 0.4822028491995054, -3.10853257198925 ], [ -6.258599796652527, 1.8229966753957543, 1.744848351818718 ], [ -4.299574454433692, -2.11378024838557, 0.5983886065537136 ], [ -2.3724012484514025, -0.07493948481790058, 2.732032280684175 ], [ -8.006936776164963, 0.044365667670823505, -0.1950109758181393 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Na", "Na", "Mg", "Mg", "Mg", "Mg", "Mg", "Mo", "Mo", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 22:06:24

[ 0.13513513513513514, 0.16216216216216217, 0.05405405405405406, 0.6486486486486487 ]

[ [ -1.05487704, 0.43790752, 0.1660134 ], [ 0.43790745, 0.37516173, 0.20806078 ], [ 0.1660135, 0.20806104, -0.36213384 ] ]

-246.738367

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[ [ -0.04626357, -0.07902825, 0.07610168 ], [ 0.04296761, -0.00686301, 0.00146325 ], [ -0.0009481, 0.03901355, 0.06342829 ], [ -0.10571673, -0.00966164, -0.01083988 ], [ 0.09403634, 0.05230082, 0.01920441 ], [ 0.0470109, -0.02622334, -0.05394241 ], [ 0.01076498, 0.0729386, -0.03558989 ], [ 0.08674568, 0.01206082, 0.00647544 ], [ -0.06551183, 0.00953805, 0.0338402 ], [ 0.11830691, -0.07579246, 0.05365741 ], [ -0.14381426, 0.0871572, -0.0829548 ], [ -0.01445318, 0.03994561, -0.03003016 ], [ 0.00969395, -0.04111328, 0.02584778 ], [ -0.03362563, -0.01308304, 0.00905598 ], [ 0.00132105, 0.05545906, -0.03686842 ], [ 0.01553204, -0.02528575, -0.00547595 ], [ -0.01943725, -0.01446154, 0.0086837 ], [ -0.10412582, 0.05085701, 0.01532448 ], [ 0.19290003, -0.12729441, 0.05772651 ], [ 0.00814707, -0.07107278, 0.04916766 ], [ 0.05328531, -0.03977268, -0.01128157 ], [ -0.04821658, 0.00525642, -0.04900038 ], [ -0.07087397, 0.05567858, -0.01857979 ], [ -0.06942326, 0.05079524, -0.00780087 ], [ 0.04531862, -0.00504147, -0.02415256 ], [ -0.01235684, -0.05444965, 0.01306675 ], [ 0.01916666, -0.01937414, 0.00995041 ], [ 0.06406877, -0.05250502, 0.02541815 ], [ -0.1321597, 0.08489632, 0.00567875 ], [ -0.01302668, 0.02313612, -0.00248876 ], [ 0.03032141, 0.00935542, -0.0348717 ], [ 0.005553, -0.02220161, -0.0043716 ], [ -0.04170891, -0.02588733, -0.08731379 ], [ -0.00878159, 0.05227547, 0.0293461 ], [ 0.04772024, -0.01843759, -0.01348195 ], [ 0.03755311, -0.00020812, -0.02036895 ], [ 0.00003022, 0.02709282, 0.02597645 ] ]

0

3.573203

pbe

true

43f3bf4706f25da3c2848a8f27ca2b92_1_Na2Mg5Mo6O24

[ "Mg", "Mo", "O", "Rb" ]

12

A8B2CD

MgMo2O8Rb

Rb1 Mg1 Mo2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.86441091, -0.00023747, -0.00009575 ], [ -2.93241111, 5.0786101, 0.00009575 ], [ -0.00009693, 0.00005596, 7.71506733 ] ]

agm002366659

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "O", "O", "O", "O", "O", "O", "O", "O", "Mo", "Mo", "Mg", "Rb" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.16666666666666666, 0.6666666666666666, 0.08333333333333333 ]

[ [ 0.5867852, 0.01307078, 0.00138622 ], [ 0.01307078, 0.60187805, -0.00080033 ], [ 0.00138615, -0.00080029, 0.5895303 ] ]

-77.445741

[ 0.154, 0.14, 0.127, 0.127, 0.116, 0.116, 0.154, 0.14, -0.1, -0.1, -0.002, 0 ]

[ [ -0.00010423, -0.00142215, 0.0066957 ], [ -0.00076241, 0.00044018, 0.00693821 ], [ 0.0011795, 0.00080134, 0.0066957 ], [ -0.0011795, -0.00080134, -0.0066957 ], [ -0.00023805, 0.00013744, 0.0010019 ], [ 0.00023805, -0.00013744, -0.0010019 ], [ 0.00010423, 0.00142215, -0.0066957 ], [ 0.00076241, -0.00044018, -0.00693821 ], [ -0.00054536, 0.00031487, 0.00410342 ], [ 0.00054536, -0.00031487, -0.00410342 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.108937

9.638329

pbe

true

e0167577d055a89f6634f204f0f06060_164_Rb1Mg1Mo2O8

[ "Mg", "Na", "Sb", "Te" ]

12

A6B3C2D

MgNa3Sb2Te6

Na3 Mg1 Sb2 Te6

4

[ 1, 1, 1 ]

3

[ [ 7.49620052, -0.00086306, 0.00048694 ], [ -3.74702329, 6.49252181, 0.00048694 ], [ -1.24992816, -2.16423673, 7.66618266 ] ]

agm004645081

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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Na", "Na", "Na", "Mg", "Sb", "Sb", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.25, 0.16666666666666666, 0.5 ]

[ [ 0.04340625, -0.01331241, -0.00122839 ], [ -0.01331241, 0.02804438, -0.00212694 ], [ -0.00122849, -0.00212712, 0.170393 ] ]

-39.20923

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.0031995, -0.00184783, 0 ], [ -0.0031995, 0.00184783, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00067876, 0.00039201, 0 ], [ 0.00067876, -0.00039201, 0 ], [ -0.00112751, 0.00332144, 0.00015506 ], [ 0.00022421, 0.00038822, -0.00585194 ], [ 0.00112751, -0.00332144, -0.00015506 ], [ 0.0034404, 0.0006833, 0.00015506 ], [ -0.00022421, -0.00038822, 0.00585194 ], [ -0.0034404, -0.0006833, -0.00015506 ] ]

0.000012

4.194967

pbe

true

d60683d4145b9a281d9e4bd3d4c01d0e_12_Na3Mg1Sb2Te6

[ "Mg", "Na", "O", "Sn" ]

11

A6B2C2D

MgNa2O6Sn2

Na2 Mg1 Sn2 O6

4

[ 1, 1, 1 ]

3

[ [ 5.4934863, -0.04505312, 0.08790091 ], [ -2.75436035, 4.75330628, 0.08790091 ], [ -0.93966525, -1.61518015, 5.54713301 ] ]

agm004581060

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]

[ "Na", "Na", "Mg", "Sn", "Sn", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.18181818181818182, 0.5454545454545454, 0.18181818181818182 ]

[ [ 0.57912177, -0.01181027, 0.09100707 ], [ -0.01181027, 0.5656921, 0.15643103 ], [ 0.09100707, 0.15643103, 0.7120427 ] ]

-62.705413

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ -0.00255492, 0.00148638, 0 ], [ 0.00255492, -0.00148638, 0 ], [ 0, 0, 0 ], [ -0.00263727, 0.00153429, 0 ], [ 0.00263727, -0.00153429, 0 ], [ 0.00044136, 0.00075865, -0.00194959 ], [ -0.00100121, -0.00106157, -0.0040359 ], [ -0.00044136, -0.00075865, 0.00194959 ], [ -0.00042798, -0.00139505, -0.0040359 ], [ 0.00100121, 0.00106157, 0.0040359 ], [ 0.00042798, 0.00139505, 0.0040359 ] ]

-0

0

pbe

true

07020752453680dccc7aee329f8bba8f_12_Na2Mg1Sn2O6

[ "Mg", "Nb", "Sn", "Tc" ]

4

ABCD

MgNbSnTc

Mg1 Nb1 Sn1 Tc1

4

[ 1, 1, 1 ]

3

[ [ 0, 3.282551, 3.282551 ], [ 3.282551, 0, 3.282551 ], [ 3.282551, 3.282551, 0 ] ]

oqmd-2941464

[ [ 4.923830000000001, 4.923830000000001, 4.923830000000001 ], [ 1.64128, 1.64128, 1.64128 ], [ 0, 0, 0 ], [ 3.28255, 3.28255, 3.28255 ] ]

[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}]

[ "Mg", "Nb", "Sn", "Tc" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 7.30076, 0, 0 ], [ 0, 7.30076, 0 ], [ 0, 0, 7.30076 ] ]

-25.8858

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.006365

null

pbe

true

54fca01cd6680b4e4c4d8444170d54f0_216_Mg1Nb1Tc1Sn1

[ "Mg", "Ni", "O", "Ti" ]

41

A24B8C8D

MgNi8O24Ti8

Mg1 Ni8 O24 Ti8

4

[ 1, 1, 1 ]

3

[ [ 4.53781656, 0.00175571, 3.23588041 ], [ 3.30177761, 8.38947945, 6.49356605 ], [ 0.01242298, 0.03389253, 11.26136095 ] ]

mp-2220278

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[{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Mg", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2022-04-30 04:55:37

[ 0.024390243902439025, 0.1951219512195122, 0.5853658536585366, 0.1951219512195122 ]

[ [ 3.91723394, 0.00893083, 0.05877373 ], [ 0.0089297, 3.96924223, -0.00723241 ], [ 0.05877369, -0.00723224, 3.92105416 ] ]

-294.052388

[ -0.001, -0.191, -0.279, 0.04, 0.009, 0.01, 0.033, -0.193, 0.023, 1.761, 1.742, 1.763, 1.763, 1.758, 1.768, 0.973, 1.758, 0.033, 0.019, 0.059, 0.045, 0.049, 0.042, 0.084, 0.063, 0.1, 0.046, 0.05, 0.047, 0.056, 0.032, 0.06, 0.041, 0.055, 0.044, 0.028, 0.046, 0.026, 0.059, 0.051, 0.041 ]

[ [ 0.00058306, 0.01852323, -0.00660906 ], [ 0.00235228, -0.00417426, -0.01518385 ], [ 0.00537072, 0.01256085, -0.01558242 ], [ -0.00960185, 0.00633679, 0.00494287 ], [ 0.01203632, -0.00811033, -0.00339713 ], [ 0.01411176, 0.00593793, -0.00956271 ], [ -0.00097881, 0.00328732, 0.01087691 ], [ 0.00457943, -0.01274148, 0.00615701 ], [ 0.00747186, 0.0056762, -0.01728055 ], [ -0.00829681, -0.00408163, -0.01362303 ], [ -0.0155449, -0.01684103, 0.02316094 ], [ 0.00293253, -0.00008079, -0.00209644 ], [ 0.00721589, -0.01189532, -0.00397919 ], [ 0.00411429, 0.00128762, 0.02882771 ], [ 0.00534153, 0.00651494, -0.00810096 ], [ -0.03069781, 0.0269334, 0.00850368 ], [ -0.01975916, -0.00858857, -0.00181534 ], [ 0.00238691, 0.00404111, 0.01292453 ], [ 0.00366582, -0.01247213, -0.00171215 ], [ 0.00043917, 0.00174299, -0.0079174 ], [ -0.00210195, -0.00321426, -0.01158955 ], [ -0.0033465, -0.0008635, -0.00027159 ], [ 0.00751781, 0.00389957, 0.00866216 ], [ -0.00550047, -0.00521904, 0.01036794 ], [ 0.00134677, -0.00870105, -0.00343447 ], [ 0.00180432, -0.00528763, -0.00386384 ], [ -0.00142092, -0.00044818, 0.00238096 ], [ 0.00896427, 0.0056577, 0.00011914 ], [ 0.0020992, -0.00491401, -0.0068462 ], [ -0.00522808, 0.00363211, 0.00228939 ], [ 0.00038531, -0.00278727, 0.0043965 ], [ 0.00845466, 0.00651115, -0.00960727 ], [ -0.0024543, 0.00892208, -0.02165673 ], [ 0.00495414, 0.00672919, 0.0057004 ], [ -0.00063956, 0.00239598, -0.00961337 ], [ -0.00763905, 0.0073129, 0.00219934 ], [ 0.0075549, -0.00388259, 0.01431953 ], [ 0.0142727, -0.01241633, 0.01447624 ], [ -0.01688322, -0.00431464, 0.01028711 ], [ -0.00588992, 0.00191181, -0.00605125 ], [ 0.00602768, -0.00878082, 0.00920215 ] ]

13.913

6.121028

pbe

true

f221471b39b15923ae7cac6e1e06b2c6_1_Mg1Ti8Ni8O24

[ "Mg", "Nd", "Pm", "Tb" ]

18

A5B2CD

MgNdPm2Tb5

Tb10 Pm4 Nd2 Mg2

4

[ 1, 1, 1 ]

3

[ [ 5.49433265, 0, 0 ], [ -2.74716633, 10.06070019, 0 ], [ 0, 0, 10.64682502 ] ]

agm005163543

[ [ -3.854810516125954e-9, 7.756418344738796, 0.0918233294484896 ], [ 2.7471663229005996, 4.224286594563196, 8.597969922713988 ], [ -4.994172069744239e-9, 10.048972834216526, 8.06538028128627 ], [ -3.0380380085092235e-8, 5.852745431876237, 7.5484749036685175 ], [ 2.747166320136817, 9.78540502520695, 5.415279704367571 ], [ 2.74716632385481, 2.304281845261205, 5.41523583944849 ], [ -2.900600235912853e-9, 5.836413595436803, 3.2745574127139876 ], [ 2.7471663249941716, 0.011727355783475401, 2.7419677712862707 ], [ 2.7471663503803794, 4.207954758123764, 2.2250623936685168 ], [ -1.368171159765124e-10, 0.27529516479304983, 0.091867194367572 ], [ 2.7471662936785695, 7.746269210994125, 8.513245789720584 ], [ 2.632147706083253e-8, 2.31433540235407, 7.643875885728477 ], [ 2.6321429650490022e-8, 2.314430979005875, 3.1898332797205833 ], [ 2.7471662936785224, 7.7463647876459305, 2.320463375728477 ], [ 2.74716634952695, 5.925175833182111, 5.414884707159329 ], [ -2.952695006039147e-8, 4.135524356817889, 0.09147219715933 ], [ 2.747166296589764, 1.8885392052087533, 0.06902996763617239 ], [ 2.3410235121716045e-8, 8.172160984791248, 5.392442477636172 ] ]

[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Pm", "Pm", "Pm", "Pm", "Nd", "Nd", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.1111111111111111, 0.2222222222222222, 0.5555555555555556 ]

[ [ 0.3778193, 0, 0 ], [ 0, 0.52790654, 0 ], [ 0, 0, 0.3438663 ] ]

-76.296748

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00212691, -0.00243791 ], [ 0, 0.00251128, -0.00029326 ], [ 0, -0.00326455, 0.00182323 ], [ 0, 0.00422823, -0.00133315 ], [ 0, -0.00394118, -0.00185857 ], [ 0, 0.00212691, -0.00243791 ], [ 0, -0.00251128, -0.00029326 ], [ 0, 0.00326455, 0.00182323 ], [ 0, -0.00422823, -0.00133315 ], [ 0, 0.00394118, -0.00185857 ], [ 0, 0.00420772, -0.00392409 ], [ 0, -0.00375234, -0.00408453 ], [ 0, -0.00420772, -0.00392409 ], [ 0, 0.00375234, -0.00408453 ], [ 0, -0.00087805, -0.00418159 ], [ 0, 0.00087805, -0.00418159 ], [ 0, 0.00285838, 0.01628988 ], [ 0, -0.00285838, 0.01628988 ] ]

0.000002

26.096376

pbe

true

2fb205b7f75e3541bb911447ebcfd647_36_Tb10Pm4Nd2Mg2

[ "Mg", "O", "Pb", "V" ]

15

A9B3C2D

MgO9Pb3V2

Mg1 V2 Pb3 O9

4

[ 1, 1, 1 ]

3

[ [ 5.60804926, 0, 0 ], [ -2.80402463, 4.85671313, 0 ], [ 0, 0, 6.98092059 ] ]

agm004674013

[ [ 0, 0, 3.490460295 ], [ -2.8040246452353906e-8, 3.237808769522377, 1.3608261740668854 ], [ 2.804024658040246, 1.6189043604776228, 5.6200944159331145 ], [ -2.8040246452353906e-8, 3.237808769522377, 5.0373181596923535 ], [ 0, 0, 0 ], [ 2.804024658040246, 1.6189043604776228, 1.9436024303076465 ], [ 4.156250646486961, 0.838196321212363, 4.758312404563883 ], [ 2.80402463, 3.180320487575274, 4.758312404563883 ], [ 1.4517986135130387, 0.838196321212363, 4.758312404563883 ], [ 1.3522260164869613, 4.018516808787637, 2.2226081854361177 ], [ -5.526446672179475e-17, 1.676392642424726, 2.2226081854361177 ], [ -1.3522260164869608, 4.018516808787637, 2.2226081854361177 ], [ 2.80402463, 0, 0 ], [ -1.402012315, 2.428356565, 0 ], [ 1.402012315, 2.428356565, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Mg", "V", "V", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.6, 0.2, 0.13333333333333333 ]

[ [ 1.0597267, 0, 0 ], [ 0, 1.0597267, 0 ], [ 0, 0, 1.1374913 ] ]

-97.526056

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00314134 ], [ 0, 0, -0.00314134 ], [ 0, 0, -0.00127339 ], [ 0, 0, 0 ], [ 0, 0, 0.00127339 ], [ 0.00007683, -0.00004436, -0.00141975 ], [ 0, 0.00008871, -0.00141975 ], [ -0.00007683, -0.00004436, -0.00141975 ], [ 0.00007683, 0.00004436, 0.00141975 ], [ 0, -0.00008871, 0.00141975 ], [ -0.00007683, 0.00004436, 0.00141975 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

pbe

true

88765a6787d14e187bb7386327204e0a_164_Mg1V2Pb3O9

[ "Mg", "O", "Te", "V" ]

10

A6B2CD

Mg2O6TeV

Mg2 V1 Te1 O6

4

[ 1, 1, 1 ]

3

[ [ 5.00785165, 0, 0 ], [ 0, 5.53941954, 0 ], [ 0, 0, 5.53941954 ] ]

agm004985955

[ [ 4.419722791624273, 2.76970977, 0 ], [ 4.419722791624273, 0, 2.76970977 ], [ 3.047013114143814, 0, 0 ], [ 2.9417183258220128, 2.76970977, 2.76970977 ], [ 3.754679341326525, 1.3168482068261556, 1.3168482068261556 ], [ 3.754679341326525, 1.3168482068261556, 4.222571333173844 ], [ 1.0638195786005444, 2.76970977, 2.76970977 ], [ 1.3737037360329836, 0, 0 ], [ 3.754679341326525, 4.222571333173844, 4.222571333173844 ], [ 3.754679341326525, 4.222571333173844, 1.3168482068261556 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Mg", "Mg", "V", "Te", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

[ [ 0.48723418, 0, 0 ], [ 0, 1.0264071, 0 ], [ 0, 0, 1.0264071 ] ]

-60.763342

[ 0.004, 0.004, 1.074, -0.001, -0.006, -0.006, -0.007, -0.093, -0.006, -0.006 ]

[ [ -0.00504129, 0, 0 ], [ -0.00504129, 0, 0 ], [ -0.00046323, 0, 0 ], [ -0.00234673, 0, 0 ], [ 0.0025117, -0.00117608, -0.00117608 ], [ 0.0025117, -0.00117608, 0.00117608 ], [ -0.0000201, 0, 0 ], [ 0.00286585, 0, 0 ], [ 0.0025117, 0.00117608, 0.00117608 ], [ 0.0025117, 0.00117608, -0.00117608 ] ]

1.002457

0

pbe

true

50388c99c60a1d0aaa064442bd588e9d_99_Mg2V1Te1O6

[ "Mg", "Pt", "Sc", "Zn" ]

8

A4B2CD

MgPt4Sc2Zn

Mg1 Sc2 Zn1 Pt4

4

[ 1, 1, 1 ]

3

[ [ 4.54378854, 0, 0 ], [ 2.27189427, 3.93503631, 0 ], [ 2.27189427, 1.31167877, 7.43560684 ] ]

agm004790464

[ [ 0, 0, 0 ], [ 6.815682787281058, 3.9350362968832124, 5.539184091256471 ], [ 2.271894292718943, 1.3116787831167878, 1.896422748743529 ], [ 4.54378854, 2.62335754, 3.71780342 ], [ 4.54378854, 2.62335754, 6.500365134393008 ], [ 6.815682810000001, 3.93503631, 2.7881680875942996 ], [ 2.27189427, 1.31167877, 4.647438752405701 ], [ 4.54378854, 2.62335754, 0.935241705606992 ] ]

[{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Mg", "Sc", "Sc", "Zn", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.25, 0.125 ]

[ [ 5.391744, 0, 0 ], [ 0, 5.391744, 0 ], [ 0, 0, 5.30191 ] ]

-47.719362

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.0007406 ], [ 0, 0, -0.0007406 ], [ 0, 0, 0 ], [ 0, 0, 0.00180291 ], [ 0, 0, -0.00093852 ], [ 0, 0, 0.00093852 ], [ 0, 0, -0.00180291 ] ]

-0.000003

4.870353

pbe

true

7dd1c9c976c7c9b50a0c83658ec39107_166_Mg1Sc2Zn1Pt4

[ "Mg", "Ta", "V", "Zr" ]

5

A2BCD

MgTaV2Zr

Mg1 Zr1 Ta1 V2

4

[ 1, 1, 1 ]

3

[ [ 4.71610798, 0, 0 ], [ 0, 5.15725765, 0 ], [ 0, 0, 4.71610798 ] ]

agm001529814

[ [ 2.35805399, 2.578628825, 2.35805399 ], [ 0, 0, 2.35805399 ], [ 2.35805399, 0, 0 ], [ 0, 2.578628825, 0 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Mg", "V", "V", "Zr", "Ta" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 2.611944, 0, 0 ], [ 0, 1.4323663, 0 ], [ 0, 0, 2.611944 ] ]

-34.435166

[ -0.011, 0.819, 1.29, -0.019, -0.124 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.350611

4.719265

pbe

true

5ddfd3b74716c73339467ee51755e238_123_Mg1Zr1Ta1V2

[ "Mn", "Mo", "Rh", "Tc" ]

4

ABCD

MnMoRhTc

Mn1 Tc1 Mo1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.36079304, 0, 0 ], [ 2.18039652, 3.77655755, 0 ], [ 2.18039652, 1.25885252, 3.56057261 ] ]

agm001398756

[ [ 0, 0, 0 ], [ 4.36079304, 2.517705035, 1.780286305 ], [ 6.541189559999999, 3.7765575525000004, 2.6704294575 ], [ 2.18039652, 1.2588525175, 0.8901431525 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "Mo", "Mn", "Rh", "Tc" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 8.432506, 0, 0 ], [ 0, 8.432506, 0 ], [ 0, 0, 8.432506 ] ]

-37.581766

[ 0.159, 3.422, 0.378, 0.082 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.181732

4.067227

pbe

true

02cf6d199b84a782bfc74dd4703a47da_216_Mn1Tc1Mo1Rh1

[ "Mn", "N", "P", "Pa" ]

8

ABCD

MnNPPa

Pa2 Mn2 P2 N2

4

[ 1, 1, 1 ]

3

[ [ 3.7894029, 0, 0 ], [ 0, 3.7894029, 0 ], [ 0, 0, 8.19860741 ] ]

agm005204318

[ [ 1.89470145, 0, 5.345564998925949 ], [ 0, 1.89470145, 2.8530424110740507 ], [ 1.89470145, 1.89470145, 0 ], [ 0, 0, 0 ], [ 0, 1.89470145, 6.8837338563394646 ], [ 1.89470145, 0, 1.3148735536605345 ], [ 0, 0, 4.099303705 ], [ 1.89470145, 1.89470145, 4.099303705 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Pa", "Pa", "Mn", "Mn", "P", "P", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.493593, 0, 0 ], [ 0, 0.493593, 0 ], [ 0, 0, 0.35475937 ] ]

-75.076024

[ 0.126, 0.126, 1.63, 1.63, -0.071, -0.071, -0.003, -0.003 ]

[ [ 0, 0, 0.00084972 ], [ 0, 0, -0.00084972 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0029757 ], [ 0, 0, 0.0029757 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.556672

3.234804

pbe

true

7e68ac7372864c97a8641459f6c9ae83_129_Pa2Mn2P2N2

[ "Mn", "Na", "O", "Pb" ]

16

A4B2CD

MnNaO4Pb2

Na2 Mn2 Pb4 O8

4

[ 1, 1, 1 ]

3

[ [ 6.93501623, 0.02765056, -0.09976733 ], [ 0.02278259, 6.93503508, -0.09977016 ], [ -3.47894774, -3.48138027, 5.02240758 ] ]

agm004868624

[ [ 0.011390755146735399, 3.4675116082790964, -0.0498597340767399 ], [ 5.2069306955945125, 1.7544741739588618, 2.361511455722124 ], [ 1.7394003464275134, 1.7406572655096906, 2.4114523234133673 ], [ 3.4560427038255437, -3.453715630719399, 4.92262304068824 ], [ 3.4675182685035635, 0.0138445648247093, -0.0498671039196784 ], [ 1.7280334793829204, -1.7268551837066353, 2.461306952300957 ], [ -1.7394728005218316, -1.7406706782206398, 2.5112039387159335 ], [ -0.00004144698146176587, -0.00006381000805723416, 4.922637588341254 ], [ 1.6610161477083683, 5.369540596887725, -0.049644566766752586 ], [ 3.3060384144269728, 0.10355479794089475, 2.3613104841770802 ], [ 0.1727938886396634, 3.377692313054725, 2.4615550000099584 ], [ 1.8179419887920498, -1.8882409028725944, 4.872523541698472 ], [ 1.8219922919364984, 1.8715261611546137, 4.71968166524747 ], [ 3.3480081240401898, 3.3986353365234914, 2.5146333607163665 ], [ 0.13081959409350102, 0.08271494810305009, 2.308238487494855 ], [ 1.6568205482249203, 1.6097705956671107, 0.10319972908999711 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]

[ "Na", "Na", "Mn", "Mn", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.5, 0.25 ]

[ [ 0.85320014, -0.16569062, -0.11952637 ], [ -0.16569062, 0.8529673, -0.11960886 ], [ -0.11952507, -0.11960756, 0.8506497 ] ]

-90.595221

[ -0.003, -0.003, 4.6, 4.6, -0.109, -0.109, 0.033, 0.033, -0.115, -0.115, -0.115, -0.115, -0.038, -0.038, -0.038, -0.038 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.00127963, 0.00206842, 0.00040837 ], [ -0.00206752, -0.00128108, -0.00040837 ], [ 0.00206752, 0.00128108, 0.00040837 ], [ -0.00127963, -0.00206842, -0.00040837 ], [ -9.9e-7, -0.00291868, -0.00012121 ], [ 0.00291868, 0.00000304, 0.00012121 ], [ -0.00291868, -0.00000304, -0.00012121 ], [ 9.9e-7, 0.00291868, 0.00012121 ] ]

8.806529

6.119745

pbe

true

22afa8f637c889a3d83dea787b737229_74_Na2Mn2Pb4O8

[ "Mn", "Nd", "Ni", "P" ]

10

A4B3C2D

MnNd2Ni3P4

Nd2 Mn1 Ni3 P4

4

[ 1, 1, 1 ]

3

[ [ 4.05894849, 0, 0 ], [ 0, 4.05894849, 0 ], [ 0, 0, 9.33539893 ] ]

agm004532171

[ [ 2.029474245, 0, 2.2453930001246887 ], [ 0, 2.029474245, 7.0900059298753115 ], [ 2.029474245, 2.029474245, 4.667699465 ], [ 0, 0, 4.667699465 ], [ 2.029474245, 0, 8.284162248158111 ], [ 0, 2.029474245, 1.0512366818418895 ], [ 2.029474245, 2.029474245, 0 ], [ 0, 0, 0 ], [ 2.029474245, 0, 5.913979143022551 ], [ 0, 2.029474245, 3.421419786977449 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Nd", "Nd", "Mn", "Ni", "Ni", "Ni", "P", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.1, 0.2, 0.3, 0.4 ]

[ [ -2.7432125, 0, 0 ], [ 0, -2.7432125, 0 ], [ 0, 0, -2.9032803 ] ]

-66.994721

[ 0.031, 0.031, 2.697, 0.133, -0.032, -0.032, -0.006, -0.001, -0.037, -0.037 ]

[ [ 0, 0, -0.00265528 ], [ 0, 0, 0.00265528 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00529317 ], [ 0, 0, -0.00529317 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00118648 ], [ 0, 0, -0.00118648 ] ]

2.956068

4.605297

pbe

true

c84e3eba475919f9ca86870872a86986_115_Nd2Mn1Ni3P4

[ "Mn", "Ni", "P", "Se" ]

12

ABCD

MnNiPSe

Mn3 Ni3 P3 Se3

4

[ 1, 1, 1 ]

3

[ [ 3.62752046, 0, 0 ], [ -1.81376023, 3.14152487, 0 ], [ 0, 0, 16.87778228 ] ]

agm002123360

[ [ 0, 0, 6.95453474581922 ], [ -0.0000018137602300962221, 2.09435096050829, 1.3286129450799793 ], [ 1.8137620437602298, 1.04717390949171, 12.58045654655846 ], [ 0, 0, 16.402183928243172 ], [ -0.0000018137602300962221, 2.09435096050829, 10.776262127503934 ], [ 1.8137620437602298, 1.04717390949171, 5.150323448982412 ], [ 0, 0, 11.275375618200194 ], [ -0.0000018137602300962221, 2.09435096050829, 5.649453817460953 ], [ 1.8137620437602298, 1.04717390949171, 0.0235151389394328 ], [ 0, 0, 14.05203764099804 ], [ -0.0000018137602300962221, 2.09435096050829, 8.4261158402588 ], [ 1.8137620437602298, 1.04717390949171, 2.8001771617372797 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Mn", "Mn", "Mn", "Ni", "Ni", "Ni", "P", "P", "P", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -1.9237275, 0, 0 ], [ 0, -1.9237275, 0 ], [ 0, 0, -1.7832129 ] ]

-75.442152

[ 2.814, 2.814, 2.814, -0.164, -0.164, -0.164, -0.112, -0.112, -0.112, -0.102, -0.102, -0.102 ]

[ [ 0, 0, 0.00590957 ], [ 0, 0, 0.00590957 ], [ 0, 0, 0.00590957 ], [ 0, 0, -0.00341784 ], [ 0, 0, -0.00341784 ], [ 0, 0, -0.00341784 ], [ 0, 0, 0.00244956 ], [ 0, 0, 0.00244956 ], [ 0, 0, 0.00244956 ], [ 0, 0, -0.00494129 ], [ 0, 0, -0.00494129 ], [ 0, 0, -0.00494129 ] ]

7.328846

7.357819

pbe

true

98dcaf0b55d246adcdaa7a3d474c75f2_160_Mn3Ni3P3Se3

[ "Mn", "Np", "Pt", "Ru" ]

4

ABCD

MnNpPtRu

Np1 Mn1 Ru1 Pt1

4

[ 1, 1, 1 ]

3

[ [ 4.63327205, 0, 0 ], [ 2.31663603, 4.0125313, 0 ], [ 2.31663603, 1.33751043, 3.78305079 ] ]

agm001295824

[ [ 0, 0, 0 ], [ 2.3166360275, 1.3375104325, 0.9457626975 ], [ 4.633272055, 2.675020865, 1.891525395 ], [ 6.9499080825, 4.012531297500001, 2.8372880924999997 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]

[ "Np", "Ru", "Mn", "Pt" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.861033, 0, 0 ], [ 0, 5.861033, 0 ], [ 0, 0, 5.861033 ] ]

-37.822007

[ 3.415, -0.199, 3.87, -0.029 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

7.433114

6.252158

pbe

true

c57a28f61098c4f8f35e18af4454453e_216_Np1Mn1Ru1Pt1

[ "Mn", "O", "Sb", "Tb" ]

22

A14B3C3D2

Mn3O14Sb3Tb2

Tb2 Mn3 Sb3 O14

4

[ 1, 1, 1 ]

3

[ [ 3.6816268, 6.17294112, -0.0043825 ], [ -3.6816268, 6.17294112, -0.0043825 ], [ 0, 4.07487343, 6.04104384 ] ]

agm005283455

[ [ -1.8408134, 3.08647056, -0.00219125 ], [ 1.8408134, 3.08647056, -0.00219125 ], [ 0, 8.210377835, 3.01613942 ], [ 0, 0, 0 ], [ 0, 2.037436715, 3.02052192 ], [ 0, 6.17294112, -0.0043825 ], [ 1.8408134, 5.1239072750000005, 3.01833067 ], [ -1.8408134, 5.1239072750000005, 3.01833067 ], [ -1.3745685291837617e-16, 14.451111198661053, 5.244811865422854 ], [ 2.6434550455860517e-17, 1.9696444713389472, 0.7874669745771469 ], [ -2.1930439200264118e-16, 7.908592442190661, 0.8749486036746429 ], [ 5.3031627509824374e-17, 4.421160995451625, 3.404911314437202 ], [ 1.453637952430636, 6.985992705469827, 3.5597438666756585 ], [ -1.5221478729011162, 5.3615822441365095, 1.0506251493488954 ], [ 1.522147872901116, 5.3615822441365095, 1.0506251493488954 ], [ -1.4536379524306358, 6.985992705469827, 3.5597438666756585 ], [ -2.041347577556962e-17, 8.512163227809339, 5.1573302363253575 ], [ -3.5358364656644884e-17, 11.999594674548376, 2.627367525562799 ], [ -1.453637952430636, 9.434762964530172, 2.4725349733243416 ], [ 1.522147872901116, 11.059173425863492, 4.981653690651105 ], [ -1.5221478729011162, 11.05917342586349, 4.981653690651105 ], [ 1.453637952430636, 9.434762964530172, 2.4725349733243416 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}]

[ "Tb", "Tb", "Mn", "Mn", "Mn", "Sb", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.13636363636363635, 0.6363636363636364, 0.13636363636363635, 0.09090909090909091 ]

[ [ 0.8008512, 0, 0 ], [ 0, 0.6925965, 0.00753935 ], [ 0, 0.00753925, 0.84979224 ] ]

-158.248013

[ 0.016, 0.016, 3.892, 4.653, 4.676, 0.01, 0.011, 0.011, 0.024, 0.024, 0.039, 0.021, -0.017, 0.015, 0.015, -0.017, 0.039, 0.021, -0.017, 0.015, 0.015, -0.017 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00092944, 0.00105769 ], [ 0, -0.00092944, -0.00105769 ], [ 0, -0.0021882, 0.00142034 ], [ 0, -0.00065439, -0.00176779 ], [ -0.00055633, -0.00063308, 0.0003645 ], [ -0.00187413, -0.00117174, -0.00114368 ], [ 0.00187413, -0.00117174, -0.00114368 ], [ 0.00055633, -0.00063308, 0.0003645 ], [ 0, 0.0021882, -0.00142034 ], [ 0, 0.00065439, 0.00176779 ], [ 0.00055633, 0.00063308, -0.0003645 ], [ 0.00187413, 0.00117174, 0.00114368 ], [ -0.00187413, 0.00117174, 0.00114368 ], [ -0.00055633, 0.00063308, -0.0003645 ] ]

14.000002

-0.00398

pbe

true

908e86a720064a7e07721f02a8a2063d_12_Tb2Mn3Sb3O14

[ "Mn", "Os", "Sb", "Te" ]

5

A2BCD

MnOsSbTe2

Mn1 Sb1 Te2 Os1

4

[ 1, 1, 1 ]

3

[ [ 5.30778672, 0, 0 ], [ 0, 5.30778672, 0 ], [ 0, 0, 4.98083668 ] ]

agm001807344

[ [ 0, 0, 2.49041834 ], [ 0, 2.65389336, 0 ], [ 2.65389336, 0, 0 ], [ 0, 0, 0 ], [ 2.65389336, 2.65389336, 2.49041834 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]

[ "Sb", "Te", "Te", "Os", "Mn" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 1.6726099, 0, 0 ], [ 0, 1.6726099, 0 ], [ 0, 0, 1.7632706 ] ]

-23.459692

[ -0.02, 0.094, 0.094, 0.345, -0.123 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.517412

7.906752

pbe

true

65ee9892b9d873eef18f129c336265f1_123_Mn1Sb1Te2Os1

[ "Mn", "Pb", "S", "Sn" ]

18

A5B2CD

MnPb2S5Sn

Mn2 Sn2 Pb4 S10

4

[ 1, 1, 1 ]

3

[ [ 3.90978559, 0, 0 ], [ -1.9548928, 8.33657688, 0 ], [ 0, 0, 12.80484593 ] ]

agm005155372

[ [ 1.9548927947442403, 0.4264324138342224, 12.10276173374185 ], [ -4.744240250260973e-9, 7.910144466165779, 5.70033876874185 ], [ 1.9548927920486345, 4.920856578151316, 6.648150519365887 ], [ -2.048634842004488e-9, 3.415720301848685, 0.24572755436588603 ], [ 1.9548927914192353, 5.970262875027265, 10.450972590388915 ], [ -1.0306836472591202e-9, 1.7184746140710336, 8.700280353654168 ], [ -1.4192360805069406e-9, 2.3663140049727365, 4.0485496253889135 ], [ 1.9548927910306833, 6.618102265928966, 2.297857388654168 ], [ -3.882787747831303e-9, 6.473831467222138, 0.06402038819622101 ], [ 1.9548928130018186, 2.579518540682215, 11.21754263099284 ], [ -4.788604476888731e-9, 7.984113578969717, 9.945885954873901 ], [ -2.7717860159768723e-9, 4.621441250049999, 8.50994336156998 ], [ 1.9548927904941082, 7.512741847074629, 6.935481018158343 ], [ 1.9548927938827876, 1.8627454127778627, 6.466443353196222 ], [ -2.300181911051882e-8, 5.757058339317785, 4.81511966599284 ], [ 1.9548927947886043, 0.3524633010302832, 3.5434629898739005 ], [ 1.9548927927717856, 3.715135629950002, 2.1075203965699796 ], [ -4.94108721989854e-10, 0.8238350329253713, 0.533058053158342 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "Mn", "Mn", "Sn", "Sn", "Pb", "Pb", "Pb", "Pb", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.2222222222222222, 0.5555555555555556, 0.1111111111111111 ]

[ [ 2.3970392, 0, 0 ], [ 0, 2.348488, 0 ], [ 0, 0, 2.4254801 ] ]

-90.531381

[ 3.25, 3.25, -0.032, -0.032, 0.013, 0.022, 0.013, 0.022, -0.024, -0.061, -0.007, -0.03, -0.034, -0.024, -0.061, -0.007, -0.03, -0.034 ]

[ [ 0, -0.00611352, 0.00496488 ], [ 0, 0.00611352, 0.00496488 ], [ 0, -0.00138065, 0.00222794 ], [ 0, 0.00138065, 0.00222794 ], [ 0, 0.00434784, 0.00166765 ], [ 0, -0.00059631, -0.00386213 ], [ 0, -0.00434784, 0.00166765 ], [ 0, 0.00059631, -0.00386213 ], [ 0, 0.00217195, -0.001204 ], [ 0, 0.00229459, 0.00033957 ], [ 0, 0.00203667, -0.00336662 ], [ 0, -0.00026985, 0.00019305 ], [ 0, -0.00089231, -0.00096034 ], [ 0, -0.00217195, -0.001204 ], [ 0, -0.00229459, 0.00033957 ], [ 0, -0.00203667, -0.00336662 ], [ 0, 0.00026985, 0.00019305 ], [ 0, 0.00089231, -0.00096034 ] ]

6.752224

6.253314

pbe

true

18640ccd433fd67b9775aa36771b5e02_36_Mn2Sn2Pb4S10

[ "Mn", "Pu", "Se", "Tl" ]

15

A8B3C3D

MnPu3Se8Tl3

Pu3 Mn1 Tl3 Se8

4

[ 1, 1, 1 ]

3

[ [ 8.22842588, -0.01371188, 0.01326386 ], [ -4.12612733, 7.11994941, -0.03845713 ], [ 0.02033563, -4.7220733, 7.83292167 ] ]

agm004690519

[ [ 4.124380755, -2.36789259, 3.9230927650000003 ], [ 2.0613170899999997, 1.1920821150000003, 3.9038642 ], [ -2.05289585, 1.1989380550000002, 3.89723227 ], [ 0.010167815, -2.36103665, 3.916460835 ], [ 0, 0, 0 ], [ -2.063063665, 3.559974705, -0.019228565 ], [ 2.0511492749999998, 3.5531187650000002, -0.012596634999999998 ], [ -0.006582172492165314, 2.3803449313055802, 2.274520839169616 ], [ 4.129216352492165, 0.0038192986944194994, 5.533207560830385 ], [ 4.099342258321174, 2.524912183238944, 2.4034428352246064 ], [ 0.023291921678825104, -0.14074795323894385, 5.404285564775393 ], [ 6.307660316401698, -1.2649850978510464, 2.429035598287292 ], [ -2.1850261364016985, 3.649149327851047, 5.378692801712709 ], [ 1.9222772191779323, -1.246848683381614, 2.416330293727737 ], [ 2.2003569608220674, 3.631012913381614, 5.391398106272264 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Pu", "Pu", "Pu", "Mn", "Tl", "Tl", "Tl", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.2, 0.5333333333333333, 0.2 ]

[ [ 2.1149647, -0.00401832, -0.03371688 ], [ -0.00401827, 2.1134214, 0.03148429 ], [ -0.03371669, 0.0314846, 2.0291526 ] ]

-100.777417

[ 4.92, -4.916, 4.92, -3.772, -0.021, 0.014, -0.021, -0.041, -0.041, 0.031, 0.031, -0.102, -0.102, 0.031, 0.031 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00110945, 0.0006009, 0.00059234 ], [ 0.00110945, -0.0006009, -0.00059234 ], [ -0.00063004, 0.00280302, 0.00248635 ], [ 0.00063004, -0.00280302, -0.00248635 ], [ -0.00035247, 0.00020194, 0.00160469 ], [ 0.00035247, -0.00020194, -0.00160469 ], [ -0.00370173, -0.00130335, 0.00281728 ], [ 0.00370173, 0.00130335, -0.00281728 ] ]

0.728661

35.751106

pbe

true

0ebcd5d87708e5ba5ec9c110c78784af_12_Pu3Mn1Tl3Se8

[ "Mn", "Rb", "Se", "Sn" ]

20

A6B2CD

MnRbSe6Sn2

Rb2 Mn2 Sn4 Se12

4

[ 1, 1, 1 ]

3

[ [ 6.8354915, -0.00941867, -0.00977445 ], [ 2.13375104, 9.71226505, 0.03953053 ], [ 2.13375104, -0.32044571, 9.70705773 ] ]

agm004979182

[ [ 3.842623915, 8.517979899303333, 1.185631976005496 ], [ 7.260369665, 0.8644207706966666, 8.551181833994505 ], [ 3.842623915, 2.3245968253237854, 7.1535802962575685 ], [ 7.260369665, 7.057803844676213, 2.583233513742432 ], [ 5.003669020058939, 7.533357737459068, 6.185316638995851 ], [ 2.681578809941061, 3.485238683713731, 1.9842829289046382 ], [ 6.099324559941061, 1.8490429325409314, 3.5514971710041503 ], [ 8.42141477005894, 5.897161986286269, 7.752530881095363 ], [ 3.8839541475370303, -0.13938166037930372, 7.36424019494061 ], [ 3.8012936824629695, 2.0227634276823157, 9.608058688904752 ], [ 7.21903943246297, 9.521782330379304, 2.372573615059391 ], [ 7.30169989753703, 7.359637242317684, 0.1287551210952489 ], [ 5.428000707569801, 6.362167765390238, 3.919490249040546 ], [ 2.257247122430199, 5.706102624281282, 3.2386427387555905 ], [ 5.674992872430199, 3.020232904609762, 5.817323560959454 ], [ 8.8457464575698, 3.6762980457187164, 6.4981710712444105 ], [ 9.223585912808062, 7.801243282304762, 6.118975154078352 ], [ 5.297153417191937, 3.552044107701801, 1.7092656719205925 ], [ 1.879407667191937, 1.581157387695236, 3.617838655921649 ], [ 5.805840162808062, 5.830356562298198, 8.027548138079409 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Mn", "Mn", "Sn", "Sn", "Sn", "Sn", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.2 ]

[ [ 1.1794862, 0.00344767, 0.00357791 ], [ 0.00344771, 1.1597195, 0.00599747 ], [ 0.00357794, 0.00599747, 1.1601644 ] ]

-86.211325

[ 0.001, 0.001, 3.616, 3.616, 0.039, 0.039, 0.039, 0.039, 0.02, 0.02, 0.02, 0.02, -0.085, -0.085, -0.085, -0.085, 0.024, 0.024, 0.024, 0.024 ]

[ [ 0, -0.00035188, 0.00033907 ], [ 0, 0.00035188, -0.00033907 ], [ 0, -0.00158296, 0.00152534 ], [ 0, 0.00158296, -0.00152534 ], [ 0.00436227, 0.00014638, -0.0012254 ], [ -0.00436227, 0.00122998, -0.00010087 ], [ -0.00436227, -0.00014638, 0.0012254 ], [ 0.00436227, -0.00122998, 0.00010087 ], [ 0.00185888, -0.00317147, 0.00013645 ], [ -0.00185888, -0.00025389, 0.00316424 ], [ -0.00185888, 0.00317147, -0.00013645 ], [ 0.00185888, 0.00025389, -0.00316424 ], [ 0.00151001, -0.00086208, 0.00107073 ], [ -0.00151001, -0.00110194, 0.00082181 ], [ -0.00151001, 0.00086208, -0.00107073 ], [ 0.00151001, 0.00110194, -0.00082181 ], [ -0.00051626, 0.00045276, -0.00018808 ], [ 0.00051626, 0.00020473, -0.00044548 ], [ 0.00051626, -0.00045276, 0.00018808 ], [ -0.00051626, -0.00020473, 0.00044548 ] ]

7.983681

7.538802

pbe

true

8d61c53bd5f82fb88fa0eb2fe808dc75_15_Rb2Mn2Sn4Se12

[ "Mn", "S", "Se", "Zr" ]

8

A4B2CD

MnS4SeZr2

Zr2 Mn1 Se1 S4

4

[ 1, 1, 1 ]

3

[ [ 3.54313636, 0, 0 ], [ 1.77156818, 6.01739137, 0.31638862 ], [ 1.77156818, 1.48098011, 7.78884394 ] ]

agm004771128

[ [ 5.314704522284319, 4.7642097188588854, 5.9630050545351425 ], [ 1.771568197715682, 2.7341617611411153, 2.1422275054648576 ], [ 0, 0, 0 ], [ 3.54313636, 3.74918574, 4.05261628 ], [ 3.543136377715682, 6.60218322896697, 5.8606005155788425 ], [ 3.543136377715682, 3.3139477788202796, 7.363053787589599 ], [ 3.5431363422843183, 0.8961882510330307, 2.2446320444211576 ], [ 3.5431363422843183, 4.184423701179721, 0.7421787724104005 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]

[ "Zr", "Zr", "Mn", "Se", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.125, 0.25 ]

[ [ 0.7487914, 0, 0 ], [ 0, 0.9894764, 0.01739258 ], [ 0, 0.01739249, 1.1444167 ] ]

-55.532643

[ 0.121, 0.121, 4.098, 0, 0.007, 0.038, 0.007, 0.038 ]

[ [ 0, 0.00630813, 0.0013793 ], [ 0, -0.00630813, -0.0013793 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00569444, 0.00429525 ], [ 0, 0.00074561, -0.00161852 ], [ 0, 0.00569444, -0.00429525 ], [ 0, -0.00074561, 0.00161852 ] ]

4.865353

2.082675

pbe

true

95a7138fd678238d29360d8bfd8b4d94_12_Zr2Mn1Se1S4

[ "Mn", "Sb", "Te", "Tl" ]

12

A6B3C2D

Mn2SbTe6Tl3

Mn2 Tl3 Sb1 Te6

4

[ 1, 1, 1 ]

3

[ [ 7.34492648, -0.00049411, 0.00197096 ], [ -3.67110351, 6.36167778, 0.00197096 ], [ -1.22403041, -2.11939507, 7.88873323 ] ]

agm004645637

[ [ -0.01708041366080541, 4.251341928514179, 0.00197096 ], [ 3.6909033836608054, 2.1098417414858206, 0.00197096 ], [ -2.56242639739349, 4.308215676062485, 3.946337575 ], [ 5.0122189573934905, -0.06642707606248444, 3.946337575 ], [ 1.2248962799999998, 2.1208943, 3.946337575 ], [ 0, 0, 0 ], [ 3.7628924942698214, 1.9645812450257265, 6.305565825955324 ], [ 2.358013074178835, 4.0828734473020285, 1.5382784226266488 ], [ -1.3130999342698217, 2.2772073549742733, 1.587109324044676 ], [ -0.1788771267894652, 4.241101543420388, 6.305565825955324 ], [ 0.09177948582116525, 0.15891515269797174, 6.35439672737335 ], [ 2.6286696867894657, 0.0006870565796112333, 1.587109324044676 ] ]

[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Mn", "Mn", "Tl", "Tl", "Tl", "Sb", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.5, 0.25 ]

[ [ 1.6749729, -0.00701471, -0.00608974 ], [ -0.00701471, 1.6668782, -0.01054431 ], [ -0.00608991, -0.01054461, 1.6129874 ] ]

-51.024329

[ 3.841, 3.841, 0.017, 0.017, 0.016, 0.052, -0.052, -0.058, -0.052, -0.052, -0.058, -0.052 ]

[ [ 0.00133427, -0.00077059, 0 ], [ -0.00133427, 0.00077059, 0 ], [ -0.00101035, 0.00058352, 0 ], [ 0.00101035, -0.00058352, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0012186, -0.00018042, 0.00169594 ], [ -0.00012827, -0.0002221, 0.00283066 ], [ 0.0012186, 0.00018042, -0.00169594 ], [ 0.00045273, -0.00114568, 0.00169594 ], [ 0.00012827, 0.0002221, -0.00283066 ], [ -0.00045273, 0.00114568, -0.00169594 ] ]

8.159783

4.42209

pbe

true

459b3b1bc124be8e172702fa2df44f86_12_Mn2Tl3Sb1Te6

[ "Mo", "N", "Nb", "V" ]

5

A2BCD

MoNNbV2

Nb1 V2 Mo1 N1

4

[ 1, 1, 1 ]

3

[ [ 3.91881431, 0, 0 ], [ 0, 3.91881431, 0 ], [ 0, 0, 4.39412762 ] ]

agm001666031

[ [ 1.959407155, 1.959407155, 2.19706381 ], [ 0, 0, 0 ], [ 0, 0, 2.19706381 ], [ 0, 1.959407155, 0 ], [ 1.959407155, 0, 0 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Mo", "N", "Nb", "V", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.9123292, 0, 0 ], [ 0, 0.9123292, 0 ], [ 0, 0, 0.83470374 ] ]

-49.430835

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000175

5.072692

pbe

true

a2630332fa9fe8e61a5dbe2341e8a7e2_123_Nb1V2Mo1N1

[ "Mo", "Rh", "Ta", "V" ]

4

ABCD

MoRhTaV

Ta1 V1 Mo1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.43227222, 0, 0 ], [ 2.21613611, 3.83846034, 0 ], [ 2.21613611, 1.27948678, 3.61893511 ] ]

agm001391516

[ [ 0, 0, 0 ], [ 2.21613611, 1.27948678, 0.9047337775 ], [ 4.43227222, 2.55897356, 1.809467555 ], [ 6.64840833, 3.83846034, 2.7142013325 ] ]

[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Mo", "V", "Rh", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 7.2353344, 0, 0 ], [ 0, 7.2353344, 0 ], [ 0, 0, 7.2353344 ] ]

-40.10958

[ -0.051, 0.256, 0.066, 0.009 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.304617

4.472652

pbe

true

c9c9d66f358e6dca4ee998346e2390ed_216_Ta1V1Mo1Rh1

[ "Mo", "Se", "Te", "W" ]

9

A4B2C2D

Mo2Se2Te4W

Te4 Mo2 W1 Se2

4

[ 1, 1, 1 ]

3

[ [ 1.7377289, -3.00983475, 0 ], [ 1.7377289, 3.00983475, 0 ], [ 0, 0, 22.76628542 ] ]

agm005245920

[ [ 1.7377289, -1.003278270065565, 9.6447444430712 ], [ 0, 0, 13.491351281045631 ], [ 0, 0, 17.173135221162056 ], [ 1.7377289, -1.003278270065565, 5.942748367096047 ], [ 1.7377289, -1.003278270065565, 0.5721827748323179 ], [ 1.7377289, -1.003278270065565, 15.332914287366599 ], [ 0, 0, 7.792981685556366 ], [ 0, 0, 21.715067671805585 ], [ 0, 0, 2.196694747913255 ] ]

[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Te", "Te", "Te", "Te", "Mo", "Mo", "W", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2222222222222222, 0.2222222222222222, 0.4444444444444444, 0.1111111111111111 ]

[ [ 2.1830175, 0, 0 ], [ 0, 2.1830175, 0 ], [ 0, 0, 1.8953986 ] ]

-57.061359

[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00444805 ], [ 0, 0, 0.00692647 ], [ 0, 0, -0.00086141 ], [ 0, 0, 0.00250065 ], [ 0, 0, 0.00070541 ], [ 0, 0, -0.00226873 ], [ 0, 0, -0.00070702 ], [ 0, 0, -0.00481381 ], [ 0, 0, 0.00296648 ] ]

0

0.147147

pbe

true

bb1e42955cc04f1e3e2dde6ea0505a4b_156_Te4Mo2W1Se2

[ "N", "Na", "Os", "Rb" ]

5

A2BCD

N2NaOsRb

Rb1 Na1 Os1 N2

4

[ 1, 1, 1 ]

3

[ [ 4.5598732, 0, 0 ], [ 0, 4.6649141, 0 ], [ 0, 0, 4.5598732 ] ]

agm001516934

[ [ 0, 2.33245705, 0 ], [ 2.2799366, 2.33245705, 2.2799366 ], [ 0, 0, 0 ], [ 0, 0, 2.2799366 ], [ 2.2799366, 0, 0 ] ]

[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Na", "Os", "Rb", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 1.3902894, 0, 0 ], [ 0, -0.1571508, 0 ], [ 0, 0, 1.3902894 ] ]

-13.421449

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000023

9.122602

pbe

true

9af0450b02ae9c76d7506fcda8721968_123_Rb1Na1Os1N2

[ "N", "Nb", "O", "Ta" ]

5

A2BCD

NNbO2Ta

Ta1 Nb1 N1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.92552929, 0, 0 ], [ 0, 3.92552929, 0 ], [ 0, 0, 4.18401122 ] ]

agm001750559

[ [ 0, 0, 0 ], [ 0, 0, 2.09200561 ], [ 0, 1.962764645, 0 ], [ 1.962764645, 0, 0 ], [ 1.962764645, 1.962764645, 2.09200561 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Nb", "N", "O", "O", "Ta" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.9853357, 0, 0 ], [ 0, 0.9853357, 0 ], [ 0, 0, 0.87999064 ] ]

-42.968503

[ 0.039, -0.049, 0.009, 0.009, 1.615 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.206517

3.150144

pbe

true

4cfc6a5b5061aed411b97265318e14c5_123_Ta1Nb1N1O2

[ "N", "Nb", "Pa", "Sr" ]

14

A4BCD

N4NbPaSr

Sr2 Pa2 Nb2 N8

4

[ 1, 1, 1 ]

3

[ [ 5.7377806, 0, 0 ], [ 0, 5.75174188, 0 ], [ -2.8688903, 0, 6.35490428 ] ]

agm005058387

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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Sr", "Sr", "Pa", "Pa", "Nb", "Nb", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.5714285714285714, 0.14285714285714285, 0.14285714285714285, 0.14285714285714285 ]

[ [ 0.62906533, 0, 0 ], [ 0, 0.5202538, 0 ], [ 0, 0, 0.6720623 ] ]

-123.444376

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, -0.00074294 ], [ 0, 0, 0.00074294 ], [ 0, 0, 0.00380248 ], [ 0, 0, -0.00380248 ], [ 0, 0, -0.00344962 ], [ 0, 0, 0.00344962 ], [ 0, 0, 0.00262634 ], [ 0, 0, 0.00318588 ], [ 0, 0, -0.00262634 ], [ 0, 0, -0.00318588 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.90916

pbe

true

b92807225b13c8907751970770d45ec1_63_Sr2Pa2Nb2N8

[ "N", "Nb", "Y", "Zr" ]

5

A2BCD

NNb2YZr

Y1 Zr1 Nb2 N1

4

[ 1, 1, 1 ]

3

[ [ 4.80083887, 0, 0 ], [ 0, 5.35009572, 0 ], [ 0, 0, 4.80083887 ] ]

agm001479816

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Nb", "Nb", "Zr", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -0.9065329, 0, 0 ], [ 0, 2.0153916, 0 ], [ 0, 0, -0.9065329 ] ]

-29.003

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000064

6.772813

pbe

true

0258ed51b380532b66b924e185f80899_123_Y1Zr1Nb2N1

[ "N", "Nd", "P", "Ru" ]

10

A2BCD

NNdPRu2

Nd2 P2 Ru4 N2

4

[ 1, 1, 1 ]

3

[ [ 3.75242883, 0, 0 ], [ -1.87621442, 5.65686175, 0 ], [ 0, 0, 7.11792157 ] ]

agm005008503

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[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Nd", "Nd", "P", "P", "Ru", "Ru", "Ru", "Ru", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 1.0006589, 0, 0 ], [ 0, 0.5327326, 0 ], [ 0, 0, 0.42046532 ] ]

-81.931891

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00050516, 0 ], [ 0, 0.00050516, 0 ], [ 0, 0.00063087, 0 ], [ 0, -0.00063087, 0 ], [ 0, 0.00235209, 0.00134885 ], [ 0, -0.00235209, -0.00134885 ], [ 0, 0.00235209, -0.00134885 ], [ 0, -0.00235209, 0.00134885 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000002

5.158439

pbe

true

36181f94de28cbf81ac480acc89a835c_63_Nd2P2Ru4N2

[ "N", "Nd", "Sb", "Tb" ]

11

A4B3C2D2

N2Nd4Sb3Tb2

Tb2 Nd4 Sb3 N2

4

[ 1, 1, 1 ]

3

[ [ 4.79688885, 0, 0 ], [ 0, 4.79688885, 0 ], [ -2.39844443, -2.39844442, 12.85894313 ] ]

agm004490868

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Tb", "Tb", "Nd", "Nd", "Nd", "Nd", "Sb", "Sb", "Sb", "N", "N" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.36363636363636365, 0.2727272727272727, 0.18181818181818182 ]

[ [ 0.01409683, 0, 0 ], [ 0, 0.01409683, 0 ], [ 0, 0, 0.24733064 ] ]

-69.735001

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0.00005042 ], [ 0, 0, -0.00005042 ], [ 0, 0, -0.00198842 ], [ 0, 0, -0.00198842 ], [ 0, 0, 0.00198842 ], [ 0, 0, 0.00198842 ], [ 0, 0, 0 ], [ 0, 0, 0.00109038 ], [ 0, 0, -0.00109038 ], [ 0, 0, 0.00375852 ], [ 0, 0, -0.00375852 ] ]

0.000032

3.841452

pbe

true

3caf636b510e9a568cfdc3235cb9ed61_139_Tb2Nd4Sb3N2

[ "N", "Nd", "Sm", "Tc" ]

16

A4B2CD

N4Nd2SmTc

Nd4 Sm2 Tc2 N8

4

[ 1, 1, 1 ]

3

[ [ 3.51374944, 0, 0 ], [ -1.75687472, 6.00876019, 0 ], [ 0, 0, 12.07254198 ] ]

agm004784213

[ [ -6.637742928160151e-17, 4.420503065042516, 6.521072162955134 ], [ 1.7568747199999997, 1.588257124957484, 0.4848011729551332 ], [ 1.7568747199999997, 1.588257124957484, 5.551469817044867 ], [ -6.637742928160151e-17, 4.420503065042516, 11.587740807044867 ], [ 1.7568747176484237e-8, 1.5238464003635848, 9.054406485000001 ], [ 1.7568747024312528, 4.4849137896364155, 3.018135495 ], [ 1.7568747199999997, 4.280711662726242, 9.054406485000001 ], [ -1.4064287017049535e-17, 1.7280485272737582, 3.018135495 ], [ 1.7568747332752574e-8, 3.228456917289821, 1.6518734844051606 ], [ 1.756874702431253, 2.7803032727101793, 7.688144474405162 ], [ 1.756874702431253, 2.7803032727101793, 10.420668495594839 ], [ 1.7568747332752574e-8, 3.228456917289821, 4.38439750559484 ], [ 0, 0, 6.03627099 ], [ 0, 0, 0 ], [ 8.692789327651553e-17, 5.204409404510826, 9.054406485000001 ], [ 1.75687472, 0.8043507854891738, 3.018135495 ] ]

[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Nd", "Nd", "Nd", "Nd", "Sm", "Sm", "Tc", "Tc", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.125, 0.125 ]

[ [ 0.20236084, 0, 0 ], [ 0, 0.7513636, 0 ], [ 0, 0, 0.5935562 ] ]

-130.282114

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.0017148, -0.00390097 ], [ 0, 0.0017148, -0.00390097 ], [ 0, 0.0017148, 0.00390097 ], [ 0, -0.0017148, 0.00390097 ], [ 0, -0.00345523, 0 ], [ 0, 0.00345523, 0 ], [ 0, 0.00004314, 0 ], [ 0, -0.00004314, 0 ], [ 0, 0.0003487, 0.00137047 ], [ 0, -0.0003487, 0.00137047 ], [ 0, -0.0003487, -0.00137047 ], [ 0, 0.0003487, -0.00137047 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00318696, 0 ], [ 0, 0.00318696, 0 ] ]

-0.000008

3.898916

pbe

true

2620cd7085ae11bd2cb3afd043adc6cf_63_Nd4Sm2Tc2N8

[ "N", "Ni", "S", "Zn" ]

5

A2BCD

NNiS2Zn

Zn1 Ni1 S2 N1

4

[ 1, 1, 1 ]

3

[ [ 4.75472694, 0, 0 ], [ 0, 4.75472694, 0 ], [ 0, 0, 3.38444381 ] ]

agm001773643

[ [ 0, 0, 0 ], [ 2.37736347, 2.37736347, 1.692221905 ], [ 0, 2.37736347, 0 ], [ 2.37736347, 0, 0 ], [ 0, 0, 1.692221905 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Ni", "Zn", "S", "S", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ -0.50598645, 0, 0 ], [ 0, -0.50598645, 0 ], [ 0, 0, -0.33668593 ] ]

-20.747249

[ 0.035, 0.001, 0.017, 0.017, 0.126 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.25327

3.726459

pbe

true

970ff44defdce074fa5fdff7f7d17f9f_123_Zn1Ni1S2N1

[ "N", "O", "Pb", "Pt" ]

5

A2BCD

NOPb2Pt

Pt1 Pb2 N1 O1

4

[ 1, 1, 1 ]

3

[ [ 5.56846845, 0, -0.00654727 ], [ 0, 3.73662476, 0 ], [ -0.99777543, 0, 5.80079617 ] ]

agm002104992

[ [ 2.023141201484209, 1.86831238, 1.8750608173894228 ], [ 2.266268500573723, 1.86831238, 4.955900363291018 ], [ 4.8775824997482475, 0, 1.8779793627441652 ], [ 2.005982628177209, 0, 1.877725736108267 ], [ 3.5413381256301673, 0, 5.438602123101365 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Pt", "Pb", "Pb", "N", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.2723301, 0, -0.10155372 ], [ 0, 0.06495422, 0 ], [ -0.10155374, 0, 0.17107478 ] ]

-27.701317

[ 0, 0, 0, 0, 0 ]

[ [ 0.00036216, 0, -0.00057246 ], [ 0.0015836, 0, -0.00073932 ], [ 0.00066625, 0, 0.00108838 ], [ 0.00073945, 0, -0.00035764 ], [ -0.00335145, 0, 0.00058104 ] ]

-0.000001

1.662863

pbe

true

5e61900063ee75f90da9a1a76b04b502_6_Pt1Pb2N1O1

[ "N", "O", "P", "Ru" ]

5

A2BCD

NOP2Ru

P2 Ru1 N1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.16983957, 0, 0.00519287 ], [ 0, 2.8013053, 0 ], [ -1.47277418, 0, 5.09081639 ] ]

agm002104935

[ [ 0.7679304014870945, 1.40065265, 2.6414312964500235 ], [ 1.5375339467236444, 0, 5.085629276587994 ], [ 2.922751329790556, 0, 2.2575889753930203 ], [ 0.8261440165644144, 1.40065265, 4.358315821387619 ], [ -1.2556245085725102, 0, 4.38486707269504 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "P", "P", "Ru", "N", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.10609793, 0, 0.16927023 ], [ 0, 0.39012367, 0 ], [ 0.16927017, 0, 0.34676215 ] ]

-36.027862

[ 0, 0, 0, 0, 0 ]

[ [ 0.00194784, 0, 0.00107972 ], [ 0.00440038, 0, -0.00224526 ], [ -0.00435713, 0, 0.00093354 ], [ 0.00209091, 0, 0.00100589 ], [ -0.004082, 0, -0.0007739 ] ]

0.000005

1.899943

pbe

true

a2997dd532fea565d8577fc17e6607d0_6_P2Ru1N1O1

[ "N", "O", "Pt", "W" ]

5

A2BCD

NO2PtW

Pt1 W1 N1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.85957111, 0, 0 ], [ 0, 3.85957111, 0 ], [ 0, 0, 4.16166792 ] ]

agm001751769

[ [ 0, 1.929785555, 0 ], [ 1.929785555, 0, 0 ], [ 0, 0, 0 ], [ 1.929785555, 1.929785555, 2.08083396 ], [ 0, 0, 2.08083396 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "O", "O", "W", "Pt", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.91451734, 0, 0 ], [ 0, 0.91451734, 0 ], [ 0, 0, 1.1784127 ] ]

-31.926701

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.0001

4.303238

pbe

true

6b413550d34c22b95873dde2e3d309fe_123_Pt1W1N1O2

[ "N", "O", "Sc", "Si" ]

5

A2BCD

N2OScSi

Sc1 Si1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 3.57672536, 0, 0 ], [ 0, 3.57672536, 0 ], [ 0, 0, 3.6305512 ] ]

agm001728240

[ [ 1.78836268, 1.78836268, 1.8152756 ], [ 0, 0, 0 ], [ 0, 0, 1.8152756 ], [ 0, 1.78836268, 0 ], [ 1.78836268, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Sc", "Si", "O", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.8564672, 0, 0 ], [ 0, 0.8564672, 0 ], [ 0, 0, 0.84667706 ] ]

-39.475338

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.00001

2.736355

pbe

true

bc0f5258516c502632e8dc18a94ee292_123_Sc1Si1N2O1

[ "N", "O", "Se", "Sr" ]

5

A2BCD

N2OSeSr

Sr1 Se1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 5.07276002, 0, 0 ], [ 0, 5.07276002, 0 ], [ 0, 0, 6.26077561 ] ]

agm001735144

[ [ 0, 0, 0 ], [ 2.53638001, 2.53638001, 3.130387805 ], [ 0, 0, 3.130387805 ], [ 0, 2.53638001, 0 ], [ 2.53638001, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Sr", "O", "Se", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.68324006, 0, 0 ], [ 0, 0.68324006, 0 ], [ 0, 0, 0.41596022 ] ]

-17.361467

[ 0.039, 1.376, 0.885, 1.52, 1.52 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

8.000092

2.788307

pbe

true

7b13c7c02b6f33e2686cb50b6bbab8ac_123_Sr1Se1N2O1

[ "N", "O", "Sr", "Ti" ]

21

A11B6C2D2

N2O11Sr2Ti6

Sr2 Ti6 N2 O11

4

[ 1, 1, 1 ]

3

[ [ 1.93804074, 7.50263713, 0.05595187 ], [ -1.93804074, 7.50263713, 0.05595187 ], [ 0, 1.47456805, 9.21566136 ] ]

agm005236531

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Sr", "Sr", "Ti", "Ti", "Ti", "Ti", "Ti", "Ti", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.09523809523809523, 0.5238095238095238, 0.09523809523809523, 0.2857142857142857 ]

[ [ 0.68468165, 0, 0 ], [ 0, 0.79145026, 0.02627317 ], [ 0, 0.02627285, 0.78314596 ] ]

-180.515976

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00178035, 0.00289145 ], [ 0, 0.00035367, -0.00017174 ], [ 0, 0.00246761, 0.0019493 ], [ 0, 0.00427063, -0.00438653 ], [ 0, 0.0029981, -0.00055354 ], [ 0, -0.00019846, -0.00159613 ], [ 0, -0.00209374, -0.00614023 ], [ 0, -0.00584285, 0.0035991 ], [ 0, 0.00013682, 0.00007751 ], [ 0, 0.0008331, 0.00295207 ], [ 0, -0.00176782, 0.00330591 ], [ 0, 0.00213123, 0.00401139 ], [ 0, -0.00051776, 0.00195807 ], [ 0, -0.00032743, -0.00074199 ], [ 0, -0.00221195, -0.00054635 ], [ 0, -0.00022777, -0.0013601 ], [ 0, -0.00023728, -0.00084312 ], [ 0, 0.00147632, -0.00147836 ], [ 0, 0.00046036, -0.00087004 ], [ 0, -0.00001451, -0.00103882 ], [ 0, 0.00009208, -0.00101785 ] ]

0

pbe

true

bea0adad116fb24789b3feab9053cc36_8_Sr2Ti6N2O11

[ "N", "O", "Tl", "Zn" ]

5

A2BCD

N2OTlZn

Tl1 Zn1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 4.02375187, 0, 0 ], [ 0, 4.02375187, 0 ], [ 0, 0, 4.21790304 ] ]

agm001728784

[ [ 2.011875935, 2.011875935, 2.10895152 ], [ 0, 0, 0 ], [ 0, 0, 2.10895152 ], [ 0, 2.011875935, 0 ], [ 2.011875935, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Tl", "Zn", "O", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.64372325, 0, 0 ], [ 0, 0.64372325, 0 ], [ 0, 0, 1.3594745 ] ]

-19.499074

[ 0.083, 0.092, 0.494, 1.067, 1.067 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.747754

2.40658

pbe

true

84df59ad41691c2d554c1939f8bc374e_123_Tl1Zn1N2O1

[ "N", "Pd", "Ru", "Se" ]

5

A2BCD

NPdRu2Se

Ru2 Pd1 Se1 N1

4

[ 1, 1, 1 ]

3

[ [ 3.9120404, 0, 0 ], [ 0, 4.9351412, 0 ], [ 0, 0, 3.9120404 ] ]

agm001603048

[ [ 0, 0, 1.9560202 ], [ 1.9560202, 0, 0 ], [ 0, 2.4675706, 0 ], [ 1.9560202, 2.4675706, 1.9560202 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Ru", "Ru", "Se", "Pd", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.6296981, 0, 0 ], [ 0, 0.34572843, 0 ], [ 0, 0, 0.6296981 ] ]

-32.173846

[ 0.805, 0.925, 0.107, 0.179, -0.036 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.060054

5.661189

pbe

true

c4107cd15c025225330977198b947756_123_Ru2Pd1Se1N1

[ "N", "Pd", "Se", "Zr" ]

5

A2BCD

N2PdSeZr

Zr1 Pd1 Se1 N2

4

[ 1, 1, 1 ]

3

[ [ 4.09202947, 0, 0 ], [ 0, 4.09202947, 0 ], [ 0, 0, 5.65102027 ] ]

agm001736457

[ [ 0, 0, 2.825510135 ], [ 0, 0, 0 ], [ 2.046014735, 2.046014735, 2.825510135 ], [ 0, 2.046014735, 0 ], [ 2.046014735, 0, 0 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Se", "Zr", "Pd", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.09112166, 0, 0 ], [ 0, 0.09112166, 0 ], [ 0, 0, 0.4249696 ] ]

-31.056634

[ 0.052, -0.045, 0.09, 0.22, 0.22 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.752153

5.720838

pbe

true

3a8d6d4631752ea59ea6941adedd13f1_123_Zr1Pd1Se1N2

[ "N", "Pm", "Th", "Zr" ]

8

A4B2CD

N4Pm2ThZr

Pm2 Th1 Zr1 N4

4

[ 1, 1, 1 ]

3

[ [ 3.52922626, 0, 0 ], [ 0, 6.11808153, 0.12684327 ], [ 0, -2.11917649, 5.74374985 ] ]

agm004847711

[ [ 1.76461313, -1.059588245, 2.871874925 ], [ 0, 1.9994525200000002, 2.9352965600000003 ], [ 1.76461313, 3.059040765, 0.063421635 ], [ 0, 0, 0 ], [ 1.76461313, 0.9292773788837377, 1.3154365991822714 ], [ 1.76461313, 3.069627661116263, 4.55515652081773 ], [ 0, -0.1702974056014781, 4.45494974516403 ], [ 0, 4.169202445601479, 1.4156433748359707 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Pm", "Pm", "Th", "Zr", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.125, 0.125 ]

[ [ 0.564603, 0, 0 ], [ 0, 0.616079, 0.04523445 ], [ 0, 0.04523464, 0.5420496 ] ]

-70.99856

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.0003302, -0.00073006 ], [ 0, 0.0003302, 0.00073006 ], [ 0, -0.00024313, 0.00133396 ], [ 0, 0.00024313, -0.00133396 ] ]

-0.000005

2.993035

pbe

true

652f6b67885bf281e4e4a46cc38bbb92_10_Pm2Th1Zr1N4

[ "N", "Pr", "Sb", "Sm" ]

16

A4B2CD

N4PrSbSm2

Pr2 Sm4 Sb2 N8

4

[ 1, 1, 1 ]

3

[ [ 3.70780976, 0, 0 ], [ -1.85390488, 6.00929565, 0 ], [ 0, 0, 12.21043636 ] ]

agm004782829

[ [ 1.8539048816253616e-8, 1.3214632830881237, 9.157827269999999 ], [ 1.8539048614609508, 4.687832366911876, 3.05260909 ], [ 1.8539048614413517e-8, 4.464907088600696, 6.558693394981678 ], [ 1.8539048614609512, 1.5443885613993045, 0.45347521498167875 ], [ 1.8539048614609512, 1.5443885613993045, 5.651742965018321 ], [ 1.8539048614413517e-8, 4.464907088600696, 11.756961145018321 ], [ 1.8539048799999998, 4.180189725444477, 9.157827269999999 ], [ -6.625663062970943e-18, 1.8291059245555232, 3.05260909 ], [ 1.0752369669075961e-16, 3.3128396002185965, 1.5819901179154163 ], [ 1.85390488, 2.696456049781404, 7.687208297915416 ], [ 1.85390488, 2.696456049781404, 10.628446242084582 ], [ 1.0752369669075961e-16, 3.3128396002185965, 4.523228062084583 ], [ 0, 0, 6.10521818 ], [ 0, 0, 0 ], [ -1.8539048959221584e-8, 5.270136120044702, 9.157827269999999 ], [ 1.8539048985390487, 0.7391595299552985, 3.05260909 ] ]

[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Pr", "Pr", "Sm", "Sm", "Sm", "Sm", "Sb", "Sb", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.125, 0.25 ]

[ [ 0.17867766, 0, 0 ], [ 0, 0.0870606, 0 ], [ 0, 0, 0.09364906 ] ]

-113.853914

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, -0.00140627, 0 ], [ 0, 0.00140627, 0 ], [ 0, -0.00019443, -0.00136832 ], [ 0, 0.00019443, -0.00136832 ], [ 0, 0.00019443, 0.00136832 ], [ 0, -0.00019443, 0.00136832 ], [ 0, -0.00427974, 0 ], [ 0, 0.00427974, 0 ], [ 0, -0.00009115, 0.00178075 ], [ 0, 0.00009115, 0.00178075 ], [ 0, 0.00009115, -0.00178075 ], [ 0, -0.00009115, -0.00178075 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00096229, 0 ], [ 0, -0.00096229, 0 ] ]

0.000012

7.279272

pbe

true

0b9555ed609a905c690a03a170aaeedc_63_Pr2Sm4Sb2N8

[ "N", "Rb", "Sn", "Te" ]

5

A2BCD

N2RbSnTe

Rb1 Sn1 Te1 N2

4

[ 1, 1, 1 ]

3

[ [ 4.64667777, 0, 0 ], [ 0, 4.64667777, 0 ], [ 0, 0, 5.87262946 ] ]

agm001739251

[ [ 0, 0, 2.93631473 ], [ 0, 0, 0 ], [ 2.323338885, 2.323338885, 2.93631473 ], [ 0, 2.323338885, 0 ], [ 2.323338885, 0, 0 ] ]

[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Te", "Sn", "Rb", "N", "N" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.46920812, 0, 0 ], [ 0, 0.46920812, 0 ], [ 0, 0, 0.33486715 ] ]

-19.729521

[ 0.243, -0.085, 0.011, 0.985, 0.985 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.2832

1.749232

pbe

true

8dada65ccb3bc6a583c17028c2f2e493_123_Rb1Sn1Te1N2

[ "N", "Sr", "W", "Y" ]

16

A4B2CD

N4Sr2WY

Sr4 Y2 W2 N8

4

[ 1, 1, 1 ]

3

[ [ 5.64603308, 0, 0 ], [ 0, 6.98311668, 0 ], [ 0, 0, 7.66886425 ] ]

agm004852527

[ [ 2.651055536323763, 2.366283555328104, 1.8875614847089601 ], [ 2.651055536323763, 2.366283555328104, 5.7813027652910405 ], [ 5.474072076323763, 4.6168331246718965, 5.72199360970896 ], [ 5.474072076323763, 4.6168331246718965, 1.9468706402910403 ], [ 5.545323489364431, 1.1175837196228777, 3.834432125 ], [ 2.7223069493644316, 5.865532960377123, 0 ], [ 2.8396070129832647, 5.937292514848305, 3.834432125 ], [ 0.0165904729832644, 1.0458241651516955, 0 ], [ 1.8844480051048766, 0.9205550824966777, 0 ], [ 4.707464545104877, 6.062561597503323, 3.834432125 ], [ 2.166587617955481, 0.7443326415185376, 3.834432125 ], [ 4.989604157955481, 6.238784038481462, 0 ], [ 2.42286947204597, 5.0103316099275625, 5.450347790443243 ], [ 5.24588601204597, 1.9727850700724379, 1.6159156654432427 ], [ 5.24588601204597, 1.9727850700724379, 6.052948584556757 ], [ 2.42286947204597, 5.0103316099275625, 2.2185164595567577 ] ]

[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Sr", "Sr", "Sr", "Sr", "Y", "Y", "W", "W", "N", "N", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.125, 0.125 ]

[ [ 0.3011467, 0, 0 ], [ 0, 0.16979614, 0 ], [ 0, 0, 0.2801128 ] ]

-128.090923

[ 0.055, 0.055, 0.055, 0.055, 0.13, 0.13, 0.079, 0.079, 0.001, 0.001, -0.004, -0.004, 0.015, 0.015, 0.015, 0.015 ]

[ [ 0.00000314, -0.00461563, -0.00043691 ], [ 0.00000314, -0.00461563, 0.00043691 ], [ 0.00000314, 0.00461563, -0.00043691 ], [ 0.00000314, 0.00461563, 0.00043691 ], [ -0.0000841, -0.00029187, 0 ], [ -0.0000841, 0.00029187, 0 ], [ -0.001536, -0.00235848, 0 ], [ -0.001536, 0.00235848, 0 ], [ 0.00042978, -0.00043568, 0 ], [ 0.00042978, 0.00043568, 0 ], [ -0.00215093, -0.00226942, 0 ], [ -0.00215093, 0.00226942, 0 ], [ 0.00166748, 0.00259756, 0.00115421 ], [ 0.00166748, -0.00259756, 0.00115421 ], [ 0.00166748, -0.00259756, -0.00115421 ], [ 0.00166748, 0.00259756, -0.00115421 ] ]

2.002384

4.083247

pbe

true

b242762af702cf7b10132a3f7afdbe2e_31_Sr4Y2W2N8

[ "Na", "Nb", "O", "Se" ]

16

A5BCD

NaNbO5Se

Na2 Nb2 Se2 O10

4

[ 1, 1, 1 ]

3

[ [ 5.7004892, 0.44422972, -0.21532565 ], [ -1.23916961, 5.58187924, -0.21532565 ], [ -2.11633839, -2.85863532, 7.22966195 ] ]

agm005064623

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}]

[ "Na", "Na", "Nb", "Nb", "Se", "Se", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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0

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pbe

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425d9d21890b2cbb019492af316fc94f_15_Na2Nb2Se2O10

[ "Na", "Nb", "O", "Sr" ]

15

A9B3C2D

NaNb2O9Sr3

Na1 Sr3 Nb2 O9

4

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3

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agm004673420

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[ "Na", "Sr", "Sr", "Sr", "Nb", "Nb", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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0.780369

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pbe

true

ca6062c2221afddd06b3bbc763f2dfdf_164_Na1Sr3Nb2O9

[ "Na", "Np", "S", "V" ]

12

A6B3C2D

Na3Np2S6V

Na3 Np2 V1 S6

4

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3

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[ "Na", "Na", "Na", "Np", "Np", "V", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.25, 0.16666666666666666, 0.5, 0.08333333333333333 ]

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-78.70833

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10

22.423956

pbe

true

02444b5dc6d4aa8d31d37fdd779b4381_12_Na3Np2V1S6

[ "Na", "O", "Pb", "Sb" ]

20

A6B2CD

NaO6Pb2Sb

Na2 Sb2 Pb4 O12

4

[ 1, 1, 1 ]

3

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agm004951591

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[ "Na", "Na", "Sb", "Sb", "Pb", "Pb", "Pb", "Pb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.2, 0.1 ]

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-109.958694

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0

6.457245

pbe

true

b52d1f302581b0465f76c99255f94d38_14_Na2Sb2Pb4O12

[ "O", "Re", "W", "Y" ]

24

A8B2CD

O8ReW2Y

Y2 Re2 W4 O16

4

[ 1, 1, 1 ]

3

[ [ 5.83234155, 0, 0 ], [ 0, 5.44581624, 0.00750748 ], [ 0, 5.16562219, 9.60863844 ] ]

agm005254326

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[ "Y", "Y", "Re", "Re", "W", "W", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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12.000813

7.140536

pbe

true

e0d8b91f2a096625e013cd4130747a1b_13_Y2Re2W4O16

[ "Na", "O", "Sc", "Zr" ]

12

A6B3C2D

Na3O6Sc2Zr

Na3 Zr1 Sc2 O6

4

[ 1, 1, 1 ]

3

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agm004625238

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[ "Na", "Na", "Na", "Zr", "Sc", "Sc", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-87.121326

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3.51749

pbe

true

ee7580e2cb74856300afd67e5641e825_12_Na3Zr1Sc2O6

[ "Na", "Os", "P", "S" ]

5

A2BCD

NaOsP2S

Na1 P2 Os1 S1

4

[ 1, 1, 1 ]

3

[ [ 4.59377289, 0, 0 ], [ 0, 4.59377289, 0 ], [ 0, 0, 4.56377151 ] ]

agm001765834

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[ "P", "P", "S", "Os", "Na" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

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0.001969

6.333617

pbe

true

213eff10240865d46beea7c9d5352e6f_123_Na1P2Os1S1

[ "Na", "Pb", "Te", "U" ]

8

A4B2CD

NaPb2Te4U

Na1 U1 Te4 Pb2

4

[ 1, 1, 1 ]

3

[ [ 4.54468894, 0, 0 ], [ 0, 7.8894722, 0.1839954 ], [ 0, -2.73182565, 7.51847345 ] ]

agm004833126

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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Na", "U", "Te", "Te", "Te", "Te", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.5, 0.125 ]

[ [ 2.2846553, 0, 0 ], [ 0, 2.1415079, 0.00920686 ], [ 0, 0.00920711, 2.1760304 ] ]

-36.886287

[ -0.001, 2.814, -0.022, -0.022, -0.032, -0.032, 0.014, 0.005 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00417456, 0.00004576 ], [ 0, 0.00417456, -0.00004576 ], [ 0, -0.00342516, -0.00364411 ], [ 0, 0.00342516, 0.00364411 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

3.001272

7.165475

pbe

true

26f6d36fcd88157e7f9cf2a2cee0edca_10_Na1U1Te4Pb2

[ "Na", "Rh", "Zn", "Zr" ]

5

A2BCD

NaRh2ZnZr

Na1 Zr1 Zn1 Rh2

4

[ 1, 1, 1 ]

3

[ [ 4.54910024, 0, 0 ], [ 0, 4.70558673, 0 ], [ 0, 0, 4.54910024 ] ]

agm001435601

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Na", "Zn", "Rh", "Rh", "Zr" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 7.5031667, 0, 0 ], [ 0, 4.238491, 0 ], [ 0, 0, 7.5031667 ] ]

-19.098669

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.00001

8.405672

pbe

true

36e5bf51dd273e4a3f53e5145ed30665_123_Na1Zr1Zn1Rh2

[ "Na", "Rh", "Tl", "Zn" ]

5

A2BCD

NaRhTl2Zn

Na1 Tl2 Zn1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 5.26522071, 0, 0 ], [ 0, 5.26522071, 0 ], [ 0, 0, 4.92285046 ] ]

agm001626584

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Na", "Tl", "Tl", "Rh", "Zn" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 4.6097465, 0, 0 ], [ 0, 4.6097465, 0 ], [ 0, 0, 4.8265324 ] ]

-14.812753

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0

2.612896

pbe

true

fcb0d4b159bcca43461dd32f53d874b5_123_Na1Tl2Zn1Rh1

[ "Na", "Te", "Ti", "V" ]

12

A6B3C2D

Na3Te6Ti2V

Na3 Ti2 V1 Te6

4

[ 1, 1, 1 ]

3

[ [ 7.02501047, -0.06670007, -0.01250286 ], [ -3.56856872, 6.05149059, -0.01250286 ], [ -1.16595284, -2.0188344, 7.63415103 ] ]

agm004623417

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[{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Na", "Na", "Na", "Ti", "Ti", "V", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.9081356, 0.06851062, 0.03993264 ], [ 0.06851062, 0.9871935, 0.06914292 ], [ 0.03993256, 0.06914279, 0.87434965 ] ]

-56.203207

[ 0.001, 0.001, 0, 0.747, 0.747, 2.231, -0.055, -0.054, -0.055, -0.055, -0.054, -0.055 ]

[ [ 0.00080063, -0.00046239, 0 ], [ -0.00080063, 0.00046239, 0 ], [ 0, 0, 0 ], [ 0.00076339, -0.00044088, 0 ], [ -0.00076339, 0.00044088, 0 ], [ 0, 0, 0 ], [ 0.00178882, -0.0023523, 0.00377852 ], [ 0.00074888, 0.00129668, -0.00073549 ], [ -0.00178882, 0.0023523, -0.00377852 ], [ -0.00293146, 0.00037384, 0.00377852 ], [ -0.00074888, -0.00129668, 0.00073549 ], [ 0.00293146, -0.00037384, -0.00377852 ] ]

4.01623

2.488011

pbe

true

5ae67afe189b57827def32879feeaabd_12_Na3Ti2V1Te6

[ "Nd", "Ni", "O", "Rb" ]

12

A3BCD

NdNiO3Rb

Rb2 Nd2 Ni2 O6

4

[ 1, 1, 1 ]

3

[ [ 3.86857726, 0.00012422, -0.00057891 ], [ -1.93404189, 6.58213483, -0.02380281 ], [ -0.00129133, -1.97314662, 7.54846741 ] ]

agm002301023

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Ni", "Ni", "Nd", "Nd", "O", "O", "O", "O", "O", "O", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.5, 0.16666666666666666 ]

[ [ 0.4228961, 0.00076848, 0.00100671 ], [ 0.00076834, 0.28074557, -0.03212389 ], [ 0.00100652, -0.03212358, 0.2943575 ] ]

-70.110236

[ -0.007, -0.007, 0.004, 0.004, -0.017, -0.004, -0.007, -0.004, -0.007, -0.017, -0.001, -0.001 ]

[ [ -0.00000896, 0.00042752, -0.00064877 ], [ 0.00000896, -0.00042752, 0.00064877 ], [ -0.00002215, 0.00109169, 0.00104825 ], [ 0.00002215, -0.00109169, -0.00104825 ], [ 0.00003421, -0.00131011, -0.00247383 ], [ -0.00006342, 0.00159343, -0.00124983 ], [ -0.00030254, -0.00060937, 0.00003632 ], [ 0.00006342, -0.00159343, 0.00124983 ], [ 0.00030254, 0.00060937, -0.00003632 ], [ -0.00003421, 0.00131011, 0.00247383 ], [ -0.00002906, 6.2e-7, -0.00003476 ], [ 0.00002906, -6.2e-7, 0.00003476 ] ]

-0.081958

0

pbe

true

c26d847fea149f5e26b4e901cbf4a2b8_12_Rb2Nd2Ni2O6

[ "Nd", "Np", "Sb", "Tm" ]

8

A4B2CD

Nd2NpSb4Tm

Nd2 Tm1 Np1 Sb4

4

[ 1, 1, 1 ]

3

[ [ 4.44704346, 0, 0 ], [ 0, 7.69537941, 0.13974941 ], [ 0, -2.68297561, 7.22140071 ] ]

agm004843194

[ [ 2.22352173, -1.341487805, 3.610700355 ], [ 0, 2.5062018999999998, 3.6805750600000002 ], [ 2.22352173, 3.847689705, 0.069874705 ], [ 0, 0, 0 ], [ 2.22352173, 1.2682320137167653, 1.7678371539317725 ], [ 2.22352173, 3.744171786283235, 5.593312966068228 ], [ 0, -0.08140775172243238, 5.537071556588887 ], [ 0, 5.093811551722433, 1.824078563411113 ] ]

[{"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Nd", "Nd", "Tm", "Np", "Sb", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.25, 0.125, 0.5, 0.125 ]

[ [ 0.74181443, 0, 0 ], [ 0, 0.92301965, 0.0568671 ], [ 0, 0.05686712, 1.0002797 ] ]

-50.620842

[ 0.017, 0.005, -0.007, 3.845, -0.049, -0.049, -0.03, -0.03 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00187667, 0.00096193 ], [ 0, -0.00187667, -0.00096193 ], [ 0, -0.00024193, -0.00014956 ], [ 0, 0.00024193, 0.00014956 ] ]

3.891209

11.835356

pbe

true

b84ac96ab5895e1b6ab470e0105dea6a_10_Nd2Tm1Np1Sb4

[ "Ni", "O", "Pu", "Sm" ]

12

A8B2CD

NiO8PuSm2

Sm2 Pu1 Ni1 O8

4

[ 1, 1, 1 ]

3

[ [ 4.21838419, -0.39498151, -0.14040032 ], [ -0.38624646, 5.2411773, 0.41579332 ], [ -0.21051013, 0.60047664, 7.46958769 ] ]

agm004901369

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Sm", "Sm", "Pu", "Ni", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.08333333333333333, 0.16666666666666666 ]

[ [ 0.8139928, -0.13747561, -0.1439717 ], [ -0.13747555, 0.73211914, -0.04497443 ], [ -0.1439717, -0.04497501, 0.8067101 ] ]

-94.60397

[ 0.005, 0.005, -1.399, 1.069, 0.071, 0.066, -0.012, 0.071, 0.066, -0.012, 0.021, 0.021 ]

[ [ 0.00081724, -0.00023421, 0.00395041 ], [ -0.00081724, 0.00023421, -0.00395041 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00247915, 0.00147364, -0.00369298 ], [ 0.00447049, 0.00210357, -0.00078702 ], [ -0.00062785, -0.000162, 0.00278093 ], [ 0.00247915, -0.00147364, 0.00369298 ], [ -0.00447049, -0.00210357, 0.00078702 ], [ 0.00062785, 0.000162, -0.00278093 ], [ 0.00107008, 0.00346117, 0.00061077 ], [ -0.00107008, -0.00346117, -0.00061077 ] ]

0.007992

-0.203657

pbe

true

f8ad693b3f199ef5ccc3d3f47fa3db0a_2_Sm2Pu1Ni1O8

[ "Ni", "O", "Ru", "Zn" ]

11

A6B2C2D

Ni2O6RuZn2

Zn2 Ni2 Ru1 O6

4

[ 1, 1, 1 ]

3

[ [ 5.17469838, 0.05490479, 0.0686568 ], [ -2.50990216, 4.52558383, 0.0686568 ], [ -0.98979297, -1.70134413, 4.94028516 ] ]

agm004580724

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}]

[ "Zn", "Zn", "Ni", "Ni", "Ru", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.5454545454545454, 0.09090909090909091, 0.18181818181818182 ]

[ [ 0.9446205, -0.01245423, 0.08484098 ], [ -0.01245423, 0.93045855, 0.14583223 ], [ 0.08484074, 0.1458318, 1.529442 ] ]

-57.88368

[ 0.022, 0.022, 1.762, 1.762, 1.489, 0.104, 0.136, 0.104, 0.136, 0.136, 0.136 ]

[ [ 0.00021216, -0.00012343, 0 ], [ -0.00021216, 0.00012343, 0 ], [ -0.00534226, 0.00310797, 0 ], [ 0.00534226, -0.00310797, 0 ], [ 0, 0, 0 ], [ 0.0006251, 0.00107448, -0.00338499 ], [ -0.00200069, -0.00189151, -0.00039157 ], [ -0.0006251, -0.00107448, 0.00338499 ], [ -0.00065547, -0.00267412, -0.00039157 ], [ 0.00200069, 0.00189151, 0.00039157 ], [ 0.00065547, 0.00267412, 0.00039157 ] ]

6.000827

5.41633

pbe

true

ef98fc9ea0b5b0e7a48bf2784d391e6c_12_Zn2Ni2Ru1O6

[ "Ni", "O", "Sm", "Te" ]

12

A8B2CD

NiO8SmTe2

Sm1 Ni1 Te2 O8

4

[ 1, 1, 1 ]

3

[ [ 6.14422276, 0.20753179, 0 ], [ -2.53910136, 5.59888444, 0 ], [ -1.8025607, -2.90320812, 5.11045011 ] ]

agm004887682

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Sm", "Ni", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.08333333333333333, 0.16666666666666666 ]

[ [ 0.6239254, -0.09774571, 0 ], [ -0.09774571, 0.52718484, 0 ], [ 0, 0, 0.6846143 ] ]

-68.601679

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1.329824

2.348746

pbe

true

55a6ca3c92449b830fb137cb166f272d_119_Sm1Ni1Te2O8

[ "Ni", "Pa", "Pr", "Pt" ]

18

A12B3C2D

Ni3PaPr2Pt12

Pr2 Pa1 Ni3 Pt12

4

[ 1, 1, 1 ]

3

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agm004495511

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[ "Pr", "Pr", "Pa", "Ni", "Ni", "Ni", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.05555555555555555, 0.1111111111111111, 0.6666666666666666 ]

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1.656611

16.779867

pbe

true

b0364e63994894a5ad5fa1b95b8b845e_166_Pr2Pa1Ni3Pt12

[ "Ni", "Pt", "Sn", "Ti" ]

4

ABCD

NiPtSnTi

Ti1 Ni1 Sn1 Pt1

4

[ 1, 1, 1 ]

3

[ [ 4.48432953, 0, 0 ], [ 2.24216476, 3.88354329, 0 ], [ 2.24216476, 1.29451443, 3.66143973 ] ]

agm001290780

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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Ni", "Sn", "Pt", "Ti" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -3.713279, 0, 0 ], [ 0, -3.713279, 0 ], [ 0, 0, -3.713279 ] ]

-25.824394

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000012

3.098181

pbe

true

4dcdba85824c601f7074169688b05a98_216_Ti1Ni1Sn1Pt1

[ "Ni", "Re", "Ta", "Zr" ]

4

ABCD

NiReTaZr

Zr1 Ta1 Re1 Ni1

4

[ 1, 1, 1 ]

3

[ [ 4.53992964, 0, 0 ], [ 2.26996482, 3.9316944, 0 ], [ 2.26996482, 1.3105648, 3.70683703 ] ]

agm001357785

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}]

[ "Re", "Ni", "Zr", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -46.59786, 0, 0 ], [ 0, -46.59786, 0 ], [ 0, 0, -46.59786 ] ]

-39.627348

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000017

3.261502

pbe

true

6e983eeb98a7b01f7b615c082f36cd4a_216_Zr1Ta1Re1Ni1

[ "Ni", "Rh", "Tb", "Zn" ]

4

ABCD

NiRhTbZn

Tb1 Zn1 Ni1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.53208021, 0, 0 ], [ 2.2660401, 3.92489659, 0 ], [ 2.2660401, 1.30829886, 3.70042799 ] ]

agm001356084

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Rh", "Zn", "Tb", "Ni" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ -2.0804565, 0, 0 ], [ 0, -2.0804565, 0 ], [ 0, 0, -2.0804565 ] ]

-20.83112

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000134

1.984896

pbe

true

2a851131392b5677a1bfd6c3f77b9dff_216_Tb1Zn1Ni1Rh1

[ "Ni", "Te", "Ti", "Tl" ]

11

A6B2C2D

NiTe6Ti2Tl2

Ti2 Tl2 Ni1 Te6

4

[ 1, 1, 1 ]

3

[ [ 6.84393838, -0.08248577, 0.01500174 ], [ -3.45437177, 5.90877417, 0.01500174 ], [ -1.26061489, -2.16685693, 8.27520795 ] ]

agm004580477

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Ti", "Ti", "Tl", "Tl", "Ni", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.5454545454545454, 0.18181818181818182, 0.18181818181818182 ]

[ [ -0.73235077, 0.03970721, -0.0592288 ], [ 0.03970721, -0.687199, -0.10180773 ], [ -0.05922884, -0.10180779, -0.92868656 ] ]

-49.70074

[ 0.255, 0.255, 0.004, 0.004, 0.373, 0.01, -0.004, 0.01, -0.004, -0.004, -0.004 ]

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1.081509

7.414418

pbe

true

06481042fdeaafbe7bf90e5514cea6e2_12_Ti2Tl2Ni1Te6

[ "Ni", "Si", "Sm", "Tc" ]

5

A2BCD

NiSi2SmTc

Sm1 Si2 Tc1 Ni1

4

[ 1, 1, 1 ]

3

[ [ 4.07005488, 0, 0 ], [ 0, 4.07005488, 0 ], [ -2.03502744, -2.03502744, 5.01957844 ] ]

agm005018796

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[{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Sm", "Si", "Si", "Tc", "Ni" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -1.9938705, 0, 0 ], [ 0, -1.9938705, 0 ], [ 0, 0, -2.123579 ] ]

-35.394839

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.00301317 ], [ 0, 0, 0.00301317 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.35847

pbe

true

bb62046154ca1e5f7b8f8755405eb4ce_119_Sm1Si2Tc1Ni1

[ "O", "Os", "Sb", "Te" ]

5

A2BCD

OOsSbTe2

Sb1 Te2 Os1 O1

4

[ 1, 1, 1 ]

3

[ [ 5.17558804, 0, 0 ], [ 0, 5.17558804, 0 ], [ 0, 0, 5.15449131 ] ]

agm001807827

[ [ 0, 0, 2.577245655 ], [ 0, 2.58779402, 0 ], [ 2.58779402, 0, 0 ], [ 0, 0, 0 ], [ 2.58779402, 2.58779402, 2.577245655 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}]

[ "Sb", "Te", "Te", "Os", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.5843123, 0, 0 ], [ 0, 0.5843123, 0 ], [ 0, 0, 0.22361155 ] ]

-21.233563

[ 0, 0, 0, 0, 0.001 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000846

8.950906

pbe

true

44bf6e3276c2b67b5a6eae285d199fa7_123_Sb1Te2Os1O1

[ "O", "P", "Pb", "Rb" ]

5

A2BCD

O2PPbRb

Rb1 P1 Pb1 O2

4

[ 1, 1, 1 ]

3

[ [ 4.5432952, 0, 0 ], [ 0, 4.5432952, 0 ], [ 0, 0, 5.36101902 ] ]

agm001754711

[ [ 0, 0, 0 ], [ 0, 0, 2.68050951 ], [ 0, 2.2716476, 0 ], [ 2.2716476, 0, 0 ], [ 2.2716476, 2.2716476, 2.68050951 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Pb", "P", "O", "O", "Rb" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.32057324, 0, 0 ], [ 0, 0.32057324, 0 ], [ 0, 0, 0.6139732 ] ]

-20.484024

[ -0.027, 0.683, 0.265, 0.265, 0.045 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.200963

2.498871

pbe

true

b9a98c95047d9d99f25a237838a2f3b1_123_Rb1P1Pb1O2

[ "O", "P", "Pb", "Tc" ]

5

A2BCD

O2PPbTc

Tc1 P1 Pb1 O2

4

[ 1, 1, 1 ]

3

[ [ 4.0794406, 0, 0 ], [ 0, 4.0794406, 0 ], [ 0, 0, 5.63992805 ] ]

agm001755386

[ [ 0, 0, 0 ], [ 0, 0, 2.819964025 ], [ 2.0397203, 2.0397203, 2.819964025 ], [ 0, 2.0397203, 0 ], [ 2.0397203, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Pb", "P", "Tc", "O", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.51744145, 0, 0 ], [ 0, 0.51744145, 0 ], [ 0, 0, 0.18780588 ] ]

-26.263069

[ 0.008, -0.082, 3.518, 0.098, 0.098 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

4.093826

3.204616

pbe

true

883099f9dc3136d4f6c7d0a48487d35c_123_Tc1P1Pb1O2

[ "O", "P", "Pt", "Ru" ]

5

A2BCD

OP2PtRu

P2 Ru1 Pt1 O1

4

[ 1, 1, 1 ]

3

[ [ 4.75934992, 0, 0 ], [ 0, 4.75934992, 0 ], [ 0, 0, 3.65043819 ] ]

agm001762466

[ [ 2.37967496, 2.37967496, 1.825219095 ], [ 0, 0, 1.825219095 ], [ 0, 0, 0 ], [ 0, 2.37967496, 0 ], [ 2.37967496, 0, 0 ] ]

[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Ru", "O", "Pt", "P", "P" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.35178056, 0, 0 ], [ 0, 0.35178056, 0 ], [ 0, 0, 0.1881424 ] ]

-26.94571

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000035

4.89651

pbe

true

a7ad36f3221d7a3933e34dd2491db585_123_P2Ru1Pt1O1

[ "O", "P", "Pr", "Se" ]

8

A4B2CD

OPPr4Se2

Pr4 P1 Se2 O1

4

[ 1, 1, 1 ]

3

[ [ 4.05910283, 0, 0 ], [ 0, 6.97600832, 0.10674401 ], [ 0, -2.45621641, 6.87588456 ] ]

agm004811574

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Pr", "Pr", "Pr", "Pr", "P", "Se", "Se", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.125, 0.5, 0.25 ]

[ [ 0.03694566, 0, 0 ], [ 0, 0.09083773, -0.05622287 ], [ 0, -0.0562229, 0.10698394 ] ]

-51.904633

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

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0.00004

3.289923

pbe

true

b87e65e591f6224a66906a3cc18b8ed7_10_Pr4P1Se2O1

[ "O", "P", "Pt", "Tl" ]

12

A8B2CD

O8P2PtTl

Tl1 P2 Pt1 O8

4

[ 1, 1, 1 ]

3

[ [ 4.83390171, -0.00001009, 0 ], [ 2.41695959, 4.18627664, 0 ], [ 2.41695377, 1.39542218, 8.6195133 ] ]

agm004876569

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Tl", "P", "P", "Pt", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.08333333333333333, 0.08333333333333333 ]

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-76.401655

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0.00004

7.262634

pbe

true

91ef7ed051ad74f09ceb7d16780cfd03_148_Tl1P2Pt1O8

[ "O", "P", "Sc", "Si" ]

5

A2BCD

O2PScSi

Sc1 Si1 P1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.57209922, 0, 0 ], [ 0, 3.57209922, 0 ], [ 0, 0, 4.87446028 ] ]

agm001755219

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Sc", "P", "Si", "O", "O" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.4988698, 0, 0 ], [ 0, 0.4988698, 0 ], [ 0, 0, 0.52483505 ] ]

-34.810868

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0

0.233672

pbe

true

35cd1baef5887301d6c3b62851cf5584_123_Sc1Si1P1O2

[ "O", "P", "Se", "Tm" ]

16

A8B4C3D

OP3Se4Tm8

Tm8 P3 Se4 O1

4

[ 1, 1, 1 ]

3

[ [ 7.75827575, 0, 0 ], [ 0, 7.93749909, 0.12015302 ], [ -3.87913788, -3.87472267, 5.48876751 ] ]

agm004712813

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "P", "P", "P", "Se", "Se", "Se", "Se", "O" ]

2023-11-16 06:57:59

[ 0.0625, 0.1875, 0.25, 0.5 ]

[ [ -0.19385439, 0, 0 ], [ 0, -0.190874, 0.02119418 ], [ 0, 0.02119401, -0.11164662 ] ]

-99.706146

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-0.000058

7.382317

pbe

true

14004d2ea8ca6a67a1b1b6a09717d41c_166_Tm8P3Se4O1

[ "O", "P", "Y", "Zr" ]

5

A2BCD

O2PYZr

Y1 Zr1 P1 O2

4

[ 1, 1, 1 ]

3

[ [ 4.1501865, 0, 0 ], [ 0, 4.1501865, 0 ], [ 0, 0, 5.52437798 ] ]

agm001755696

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "P", "O", "O", "Zr" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.2484582, 0, 0 ], [ 0, 0.2484582, 0 ], [ 0, 0, 0.61628836 ] ]

-36.650012

[ 0.033, 0.005, 0.136, 0.136, -0.034 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.278411

1.598885

pbe

true

e9ccca157f13608a121a7e8cdae87546_123_Y1Zr1P1O2

[ "O", "Pa", "Tl", "V" ]

11

A7B2CD

O7PaTlV2

Pa1 Tl1 V2 O7

4

[ 1, 1, 1 ]

3

[ [ 3.77361585, 0, 0 ], [ 0, 3.77361585, 0 ], [ 0, 0, 10.79310775 ] ]

agm004873272

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}]

[ "Pa", "Tl", "V", "V", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6363636363636364, 0.09090909090909091, 0.09090909090909091, 0.18181818181818182 ]

[ [ 0.7248702, 0, 0 ], [ 0, 0.7248702, 0 ], [ 0, 0, 1.116944 ] ]

-86.104869

[ 0.167, -0.005, 1.03, 1.03, -0.09, -0.007, -0.007, -0.007, -0.007, -0.09, -0.024 ]

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2.056262

-0.076534

pbe

true

306ddad23ebafcb75242d6e8cf537777_123_Pa1Tl1V2O7

[ "O", "Pb", "Sm", "Sr" ]

8

A4B2CD

O4PbSmSr2

Sr2 Sm1 Pb1 O4

4

[ 1, 1, 1 ]

3

[ [ 3.51187016, 0, 0 ], [ 0, 7.37831227, -0.39337117 ], [ 0, -3.02616349, 5.85642626 ] ]

agm004812621

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[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Sr", "Sr", "Sm", "Pb", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.5, 0.125, 0.125, 0.25 ]

[ [ 0.35672432, 0, 0 ], [ 0, 0.42194608, -0.07072605 ], [ 0, -0.07072598, 0.3739218 ] ]

-50.342668

[ 0.026, 0.005, 0.002, 0.116, 0.017, 0.017, 0.021, 0.021 ]

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0.490585

2.254108

pbe

true

ac75c45662f40ccf3b3b3edc00f5bb6e_10_Sr2Sm1Pb1O4

[ "O", "Pb", "Ta", "Tl" ]

12

A7B2C2D

O7PbTa2Tl2

Ta2 Tl2 Pb1 O7

4

[ 1, 1, 1 ]

3

[ [ 4.01317726, 0.0033394, -0.06278193 ], [ 0.00823292, 4.01317021, -0.06278193 ], [ 1.76378063, 1.76163125, 11.80634562 ] ]

agm004590839

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "Ta", "Ta", "Tl", "Tl", "Pb", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.5833333333333334, 0.08333333333333333, 0.16666666666666666, 0.16666666666666666 ]

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-91.631439

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0

pbe

true

ba6bfc98f87659c532bfa62a4af18f45_12_Ta2Tl2Pb1O7

[ "O", "Pd", "Pu", "Ru" ]

18

A6BCD

O6PdPuRu

Pu2 Pd2 Ru2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.21940376, 0, 0 ], [ -2.60970188, 4.52013625, 0 ], [ 0, 0, 9.11362698 ] ]

agm005076329

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[{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]

[ "Pu", "Pu", "Pd", "Pd", "Ru", "Ru", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.1111111111111111, 0.1111111111111111, 0.1111111111111111 ]

[ [ 0.8923454, 0, 0 ], [ 0, 0.8923454, 0 ], [ 0, 0, 1.2228682 ] ]

-142.751503

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-3.974433

10.251987

pbe

true

53b5cf2b72ffd6ded1de808b618f9f28_163_Pu2Pd2Ru2O12

[ "O", "Rb", "Sc", "Tm" ]

12

A6B3C2D

O6Rb3ScTm2

Rb3 Tm2 Sc1 O6

4

[ 1, 1, 1 ]

3

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agm004624555

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[ "Rb", "Rb", "Rb", "Tm", "Tm", "Sc", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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0

pbe

true

6c1e3a060160f681db0a002b72fa0d15_12_Rb3Tm2Sc1O6

[ "P", "Pr", "Se", "Te" ]

12

A6B3C2D

P2Pr6Se3Te

Pr6 Te1 P2 Se3

4

[ 1, 1, 1 ]

3

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agm004604139

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[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Te", "P", "P", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.25, 0.08333333333333333 ]

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3.610421

pbe

true

2507f074f98a04b1f324b8864fba48c5_12_Pr6Te1P2Se3

[ "P", "Sc", "Te", "Ti" ]

5

A2BCD

PScTe2Ti

Sc1 Ti1 Te2 P1

4

[ 1, 1, 1 ]

3

[ [ 5.47748285, 0, 0 ], [ 0, 4.82759115, 0 ], [ 0, 0, 5.47748285 ] ]

agm001576431

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[ "Sc", "P", "Te", "Te", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 1.1731205, 0, 0 ], [ 0, 2.923408, 0 ], [ 0, 0, 1.1731205 ] ]

-24.400167

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0.062344

11.389727

pbe

true

d927ff86da32f687908d55406cb8b69e_123_Sc1Ti1Te2P1

[ "Pu", "Rb", "Te", "Tm" ]

15

A8B3C3D

Pu3Rb3Te8Tm

Rb3 Tm1 Pu3 Te8

4

[ 1, 1, 1 ]

3

[ [ 9.00620306, -0.00027112, -0.00000268 ], [ -4.50333631, 7.79947293, -0.03111312 ], [ 0.00015297, -5.1657221, 8.68252645 ] ]

agm004697944

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[ "Rb", "Rb", "Rb", "Tm", "Pu", "Pu", "Pu", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.5333333333333333, 0.06666666666666667 ]

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-92.201103

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13.999743

38.09874

pbe

true

d2c37829792e37e52d95cc490ea98cad_166_Rb3Tm1Pu3Te8

[ "Rb", "S", "Sc", "U" ]

11

A6B2C2D

Rb2S6ScU2

Rb2 Sc1 U2 S6

4

[ 1, 1, 1 ]

3

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agm004585830

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Sc", "U", "U", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.5454545454545454, 0.09090909090909091, 0.18181818181818182 ]

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-72.517133

[ 0.001, 0.001, 0.115, 2.333, 2.333, -0.048, -0.049, -0.048, -0.049, -0.049, -0.049 ]

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5.000337

8.142966

pbe

true

5c64367d6f8e36394ec42aa4ad65972d_12_Rb2Sc1U2S6

[ "Rb", "Se", "Tb", "Zr" ]

11

A6B2C2D

Rb2Se6Tb2Zr

Rb2 Tb2 Zr1 Se6

4

[ 1, 1, 1 ]

3

[ [ 7.09126528, -0.00262984, 0.05329064 ], [ -3.50719485, 6.1632487, 0.05329064 ], [ -1.28787938, -2.21372155, 8.16195586 ] ]

agm004584219

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[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "Tb", "Tb", "Zr", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.5454545454545454, 0.18181818181818182, 0.09090909090909091 ]

[ [ 0.4859962, -0.00944344, 0.0116677 ], [ -0.00944344, 0.47525787, 0.02005547 ], [ 0.01166766, 0.0200554, 0.5798251 ] ]

-58.720863

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[ [ 0.00235092, -0.0013677, 0 ], [ -0.00235092, 0.0013677, 0 ], [ 0.00142089, -0.00082663, 0 ], [ -0.00142089, 0.00082663, 0 ], [ 0, 0, 0 ], [ 0.00228575, 0.00392895, -0.00438177 ], [ -0.00170393, -0.00394703, -0.00515459 ], [ -0.00228575, -0.00392895, 0.00438177 ], [ -0.00258903, -0.00343211, -0.00515459 ], [ 0.00170393, 0.00394703, 0.00515459 ], [ 0.00258903, 0.00343211, 0.00515459 ] ]

-0

-0.000028

pbe

true

243c87f5c0e10fee5990f89c5128e6e8_12_Rb2Tb2Zr1Se6

[ "Rb", "Se", "Tl", "U" ]

20

A6B2CD

RbSe6Tl2U

Rb2 U2 Tl4 Se12

4

[ 1, 1, 1 ]

3

[ [ 7.61001599, 0, -0.29899577 ], [ 0, 7.55240755, 0 ], [ -0.357588, 0, 11.83633406 ] ]

agm004970280

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Rb", "Rb", "U", "U", "Tl", "Tl", "Tl", "Tl", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.1, 0.6, 0.2, 0.1 ]

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11.420578

pbe

true

c103207592bb4165fa6ef4496c20670f_14_Rb2U2Tl4Se12