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{
"id": "mp-1208710",
"created_at": "2022-09-04T14:40:10.310473Z",
"structure_string": "Sr8 Mg6 Al10\n1.0\n3.022717 -5.235499 0.000000\n3.022717 5.235499 0.000000\n0.000000 0.000000 19.954894\nSr Mg Al\n8 6 10\ndirect\n0.333333 0.666667 0.661070 Sr\n0.666667 0.333333 0.338930 Sr\n0.666667 0.333333 0.161070 Sr\n0.333333 0.666667 0.838930 Sr\n0.000000 0.000000 0.102720 Sr\n0.000000 0.000000 0.897280 Sr\n0.000000 0.000000 0.602720 Sr\n0.000000 0.000000 0.397280 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.333333 0.666667 0.139912 Al\n0.666667 0.333333 0.860088 Al\n0.666667 0.333333 0.639912 Al\n0.333333 0.666667 0.360088 Al\n0.165211 0.330422 0.250000 Al\n0.834789 0.669578 0.750000 Al\n0.669578 0.834789 0.250000 Al\n0.330422 0.165211 0.750000 Al\n0.165211 0.834789 0.250000 Al\n0.834789 0.165211 0.750000 Al\n",
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{
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},
{
"id": "mp-1185241",
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"structure_string": "Li1 Y2 Tl1\n1.0\n0.000000 3.747659 3.747659\n3.747659 0.000000 3.747659\n3.747659 3.747659 0.000000\nLi Y Tl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"formula_full": "Li1 Y2 Tl1",
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"spacegroup": 225
},
{
"id": "mp-998946",
"created_at": "2022-09-04T14:43:09.213528Z",
"structure_string": "Tl1 Cd1 Se2\n1.0\n2.057590 -3.563850 0.000000\n2.057590 3.563850 0.000000\n0.000000 0.000000 7.178060\nTl Cd Se\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.776009 Se\n0.333333 0.666667 0.223991 Se\n",
"nsites": 4,
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"formula_full": "Tl1 Cd1 Se2",
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"spacegroup": 164
},
{
"id": "mp-774146",
"created_at": "2022-09-04T14:44:27.564481Z",
"structure_string": "W2 Br4 O4\n1.0\n3.869619 0.000000 0.000000\n0.000000 7.707847 0.000000\n0.000000 0.000000 8.823862\nW Br O\n2 4 4\ndirect\n0.025020 0.972901 0.000000 W\n0.974980 0.472901 0.000000 W\n0.995770 0.959195 0.717404 Br\n0.995770 0.959195 0.282596 Br\n0.004230 0.459195 0.717404 Br\n0.004230 0.459195 0.282596 Br\n0.507336 0.968634 0.000000 O\n0.998134 0.717195 0.000000 O\n0.492664 0.468634 0.000000 O\n0.001866 0.217195 0.000000 O\n",
"nsites": 10,
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"O"
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"density": 4.740223152782643,
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"volume": 263.1843128638798,
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"formula_full": "W2 Br4 O4",
"formula_reduced": "W(BrO)2",
"formula_anonymous": "AB2C2",
"energy": -67.64397871,
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"spacegroup": 26
},
{
"id": "mp-20998",
"created_at": "2022-09-04T14:45:31.251996Z",
"structure_string": "Li3 Ca3 Pb3\n1.0\n2.494938 -4.321360 0.000000\n2.494938 4.321360 0.000000\n0.000000 0.000000 10.984861\nLi Ca Pb\n3 3 3\ndirect\n0.666667 0.333333 0.803813 Li\n0.333333 0.666667 0.500000 Li\n0.666667 0.333333 0.196187 Li\n0.000000 0.000000 0.333823 Ca\n0.000000 0.000000 0.666177 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.155716 Pb\n0.333333 0.666667 0.844284 Pb\n0.666667 0.333333 0.500000 Pb\n",
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"elements": [
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"Ca",
"Pb"
],
"chemical_system": "Ca-Li-Pb",
"density": 5.346549492026173,
"density_atomic": 0.0379959880643244,
"volume": 236.86711304266296,
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"formula_full": "Li3 Ca3 Pb3",
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"formula_anonymous": "ABC",
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},
{
"id": "mp-1204089",
"created_at": "2022-09-04T14:39:27.274985Z",
"structure_string": "Cs6 Li6 U6 P12 S48\n1.0\n10.679991 -7.825418 0.000000\n10.679991 7.825418 0.000000\n4.946169 0.000000 12.281482\nCs Li U P S\n6 6 6 12 48\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.422563 0.422563 0.422563 Cs\n0.922563 0.922563 0.922563 Cs\n0.577437 0.577437 0.577437 Cs\n0.077437 0.077437 0.077437 Cs\n0.611063 0.888937 0.250000 Li\n0.250000 0.611063 0.888937 Li\n0.888937 0.250000 0.611063 Li\n0.750000 0.388937 0.111063 Li\n0.111063 0.750000 0.388937 Li\n0.388937 0.111063 0.750000 Li\n0.913416 0.586584 0.250000 U\n0.250000 0.913416 0.586584 U\n0.586584 0.250000 0.913416 U\n0.750000 0.086584 0.413416 U\n0.413416 0.750000 0.086584 U\n0.086584 0.413416 0.750000 U\n0.172888 0.189263 0.625093 P\n0.625093 0.172888 0.189263 P\n0.189263 0.625093 0.172888 P\n0.125093 0.689263 0.672888 P\n0.672888 0.125093 0.689263 P\n0.689263 0.672888 0.125093 P\n0.827112 0.810737 0.374907 P\n0.374907 0.827112 0.810737 P\n0.810737 0.374907 0.827112 P\n0.874907 0.310737 0.327112 P\n0.327112 0.874907 0.310737 P\n0.310737 0.327112 0.874907 P\n0.163555 0.350119 0.545877 S\n0.545877 0.163555 0.350119 S\n0.350119 0.545877 0.163555 S\n0.045877 0.850119 0.663555 S\n0.663555 0.045877 0.850119 S\n0.850119 0.663555 0.045877 S\n0.836445 0.649881 0.454123 S\n0.454123 0.836445 0.649881 S\n0.649881 0.454123 0.836445 S\n0.954123 0.149881 0.336445 S\n0.336445 0.954123 0.149881 S\n0.149881 0.336445 0.954123 S\n0.309961 0.372693 0.711838 S\n0.711838 0.309961 0.372693 S\n0.372693 0.711838 0.309961 S\n0.211838 0.872693 0.809961 S\n0.809961 0.211838 0.872693 S\n0.872693 0.809961 0.211838 S\n0.690039 0.627307 0.288162 S\n0.288162 0.690039 0.627307 S\n0.627307 0.288162 0.690039 S\n0.788162 0.127307 0.190039 S\n0.190039 0.788162 0.127307 S\n0.127307 0.190039 0.788162 S\n0.326458 0.094291 0.588397 S\n0.588397 0.326458 0.094291 S\n0.094291 0.588397 0.326458 S\n0.088397 0.594291 0.826458 S\n0.826458 0.088397 0.594291 S\n0.594291 0.826458 0.088397 S\n0.673542 0.905709 0.411603 S\n0.411603 0.673542 0.905709 S\n0.905709 0.411603 0.673542 S\n0.911603 0.405709 0.173542 S\n0.173542 0.911603 0.405709 S\n0.405709 0.173542 0.911603 S\n0.085601 0.614377 0.579573 S\n0.579573 0.085601 0.614377 S\n0.614377 0.579573 0.085601 S\n0.079573 0.114377 0.585601 S\n0.585601 0.079573 0.114377 S\n0.114377 0.585601 0.079573 S\n0.914399 0.385623 0.420427 S\n0.420427 0.914399 0.385623 S\n0.385623 0.420427 0.914399 S\n0.920427 0.885623 0.414399 S\n0.414399 0.920427 0.885623 S\n0.885623 0.414399 0.920427 S\n",
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"formula_full": "Cs6 Li6 U6 P12 S48",
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{
"id": "mp-1200788",
"created_at": "2022-09-04T14:47:13.881840Z",
"structure_string": "Cu12 P32 Se24 Br12\n1.0\n6.593497 0.000000 0.000000\n0.000000 11.626881 0.000000\n0.000000 0.000000 27.464890\nCu P Se Br\n12 32 24 12\ndirect\n0.701823 0.362172 0.750000 Cu\n0.201823 0.137828 0.750000 Cu\n0.298177 0.637828 0.250000 Cu\n0.798177 0.862172 0.250000 Cu\n0.239147 0.361147 0.503710 Cu\n0.739147 0.138853 0.996290 Cu\n0.760853 0.638853 0.003710 Cu\n0.260853 0.861147 0.496290 Cu\n0.760853 0.638853 0.496290 Cu\n0.260853 0.861147 0.003710 Cu\n0.239147 0.361147 0.996290 Cu\n0.739147 0.138853 0.503710 Cu\n0.598582 0.452872 0.681819 P\n0.098582 0.047128 0.818181 P\n0.401418 0.547128 0.181819 P\n0.901418 0.952872 0.318181 P\n0.401418 0.547128 0.318181 P\n0.901418 0.952872 0.181819 P\n0.598582 0.452872 0.818181 P\n0.098582 0.047128 0.681819 P\n0.639326 0.574613 0.568221 P\n0.139326 0.925387 0.931779 P\n0.360674 0.425387 0.068221 P\n0.860674 0.074613 0.431779 P\n0.360674 0.425387 0.431779 P\n0.860674 0.074613 0.068221 P\n0.639326 0.574613 0.931779 P\n0.139326 0.925387 0.568221 P\n0.345908 0.636219 0.602139 P\n0.845908 0.863781 0.897861 P\n0.654092 0.363781 0.102139 P\n0.154092 0.136219 0.397861 P\n0.654092 0.363781 0.397861 P\n0.154092 0.136219 0.102139 P\n0.345908 0.636219 0.897861 P\n0.845908 0.863781 0.602139 P\n0.371785 0.456049 0.569563 P\n0.871785 0.043951 0.930437 P\n0.628215 0.543951 0.069563 P\n0.128215 0.956049 0.430437 P\n0.628215 0.543951 0.430437 P\n0.128215 0.956049 0.069563 P\n0.371785 0.456049 0.930437 P\n0.871785 0.043951 0.569563 P\n0.424047 0.333326 0.631732 Se\n0.924047 0.166674 0.868268 Se\n0.575953 0.666674 0.131732 Se\n0.075953 0.833326 0.368268 Se\n0.575953 0.666674 0.368268 Se\n0.075953 0.833326 0.131732 Se\n0.424047 0.333326 0.868268 Se\n0.924047 0.166674 0.631732 Se\n0.843280 0.520917 0.630492 Se\n0.343280 0.979083 0.869508 Se\n0.156720 0.479083 0.130492 Se\n0.656720 0.020917 0.369508 Se\n0.156720 0.479083 0.369508 Se\n0.656720 0.020917 0.130492 Se\n0.843280 0.520917 0.869508 Se\n0.343280 0.979083 0.630492 Se\n0.389023 0.610765 0.683037 Se\n0.889023 0.889235 0.816963 Se\n0.610977 0.389235 0.183037 Se\n0.110977 0.110765 0.316963 Se\n0.610977 0.389235 0.316963 Se\n0.110977 0.110765 0.183037 Se\n0.389023 0.610765 0.816963 Se\n0.889023 0.889235 0.683037 Se\n0.074029 0.340342 0.750000 Br\n0.574029 0.159658 0.750000 Br\n0.925971 0.659658 0.250000 Br\n0.425971 0.840342 0.250000 Br\n0.869773 0.339692 0.512039 Br\n0.369773 0.160308 0.987961 Br\n0.130227 0.660308 0.012039 Br\n0.630227 0.839692 0.487961 Br\n0.130227 0.660308 0.487961 Br\n0.630227 0.839692 0.012039 Br\n0.869773 0.339692 0.987961 Br\n0.369773 0.160308 0.512039 Br\n",
"nsites": 80,
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"volume": 2105.5080413302685,
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{
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"structure_string": "U8 Al2\n1.0\n0.000000 5.086442 5.086442\n5.086442 0.000000 5.086442\n5.086442 5.086442 0.000000\nU Al\n8 2\ndirect\n0.409037 0.409037 0.409037 U\n0.409037 0.409037 0.772888 U\n0.409037 0.772888 0.409037 U\n0.840963 0.840963 0.477112 U\n0.840963 0.840963 0.840963 U\n0.772888 0.409037 0.409037 U\n0.840963 0.477112 0.840963 U\n0.477112 0.840963 0.840963 U\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n",
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{
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],
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"formula_full": "Rb2 Li1 Mo1 Cl6",
"formula_reduced": "Rb2LiMoCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:16.463000Z",
"spacegroup": 225
},
{
"id": "mp-1220273",
"created_at": "2022-09-04T14:48:07.817414Z",
"structure_string": "Nd6 Ge3 Se14\n1.0\n5.353078 -9.271803 0.000000\n5.353078 9.271803 0.000000\n0.000000 0.000000 6.098263\nNd Ge Se\n6 3 14\ndirect\n0.893801 0.690680 0.246717 Nd\n0.309320 0.203120 0.246717 Nd\n0.796880 0.106199 0.246717 Nd\n0.439089 0.975444 0.748705 Nd\n0.024556 0.463645 0.748705 Nd\n0.536355 0.560911 0.748705 Nd\n0.000000 0.000000 0.828321 Ge\n0.333333 0.666667 0.330787 Ge\n0.666667 0.333333 0.483115 Ge\n0.000000 0.000000 0.443462 Se\n0.333333 0.666667 0.945852 Se\n0.766048 0.850152 0.990389 Se\n0.149848 0.915896 0.990389 Se\n0.084104 0.233952 0.990389 Se\n0.566968 0.816463 0.492915 Se\n0.183537 0.750506 0.492915 Se\n0.249494 0.433032 0.492915 Se\n0.828026 0.590242 0.723173 Se\n0.409758 0.237784 0.723173 Se\n0.762216 0.171974 0.723173 Se\n0.502375 0.075891 0.232940 Se\n0.924109 0.426483 0.232940 Se\n0.573517 0.497625 0.232940 Se\n",
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"elements": [
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"chemical_system": "Ge-Nd-Se",
"density": 6.0041791977846914,
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"volume": 605.3463289010273,
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"formula_full": "Nd6 Ge3 Se14",
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"updated_at": "2021-11-28T01:38:32.642000Z",
"spacegroup": 143
},
{
"id": "mp-640391",
"created_at": "2022-09-04T14:42:05.054610Z",
"structure_string": "Tm10 Ni2 Pb6\n1.0\n4.533653 -7.852517 0.000000\n4.533653 7.852517 0.000000\n0.000000 0.000000 6.653750\nTm Ni Pb\n10 2 6\ndirect\n0.762630 0.762630 0.250000 Tm\n0.000000 0.762630 0.750000 Tm\n0.333333 0.666667 0.500000 Tm\n0.237370 0.000000 0.250000 Tm\n0.237370 0.237370 0.750000 Tm\n0.000000 0.237370 0.250000 Tm\n0.666667 0.333333 0.500000 Tm\n0.762630 0.000000 0.750000 Tm\n0.333333 0.666667 0.000000 Tm\n0.666667 0.333333 0.000000 Tm\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.398987 0.000000 0.750000 Pb\n0.601013 0.000000 0.250000 Pb\n0.398987 0.398987 0.250000 Pb\n0.000000 0.601013 0.250000 Pb\n0.000000 0.398987 0.750000 Pb\n0.601013 0.601013 0.750000 Pb\n",
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"chemical_system": "Ni-Pb-Tm",
"density": 10.690183887570283,
"density_atomic": 0.03799433680511822,
"volume": 473.7548148906028,
"volume_molar": 15.850101005549742,
"formula_full": "Tm10 Ni2 Pb6",
"formula_reduced": "Tm5NiPb3",
"formula_anonymous": "AB3C5",
"energy": -87.6203125,
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"updated_at": "2021-11-28T01:35:34.973000Z",
"spacegroup": 193
}
]
}