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{
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{
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{
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{
"id": "mp-554113",
"created_at": "2022-09-04T14:46:41.970203Z",
"structure_string": "Lu4 P20 O56\n1.0\n6.412096 6.474668 0.000000\n-6.412096 6.474668 0.000000\n0.000000 0.319287 12.465141\nLu P O\n4 20 56\ndirect\n0.019394 0.980606 0.250000 Lu\n0.980606 0.019394 0.750000 Lu\n0.468232 0.531768 0.250000 Lu\n0.531768 0.468232 0.750000 Lu\n0.181520 0.452547 0.890180 P\n0.317416 0.980790 0.895607 P\n0.019210 0.682584 0.604393 P\n0.422172 0.926248 0.240553 P\n0.177395 0.110630 0.500631 P\n0.073752 0.577828 0.259447 P\n0.577828 0.073752 0.759447 P\n0.624806 0.327485 0.034187 P\n0.682584 0.019210 0.104393 P\n0.375194 0.672515 0.965813 P\n0.327485 0.624806 0.534187 P\n0.926248 0.422172 0.740553 P\n0.547453 0.818480 0.609820 P\n0.818480 0.547453 0.109820 P\n0.110630 0.177395 0.000631 P\n0.452547 0.181520 0.390180 P\n0.980790 0.317416 0.395607 P\n0.822605 0.889370 0.499369 P\n0.672515 0.375194 0.465813 P\n0.889370 0.822605 0.999369 P\n0.575595 0.375188 0.926522 O\n0.671928 0.155384 0.024302 O\n0.534460 0.348208 0.134120 O\n0.852645 0.648013 0.007400 O\n0.517405 0.970729 0.664224 O\n0.775265 0.473035 0.768644 O\n0.988874 0.859891 0.088453 O\n0.526965 0.224735 0.731356 O\n0.783693 0.036865 0.194012 O\n0.482646 0.009291 0.862669 O\n0.011126 0.140109 0.911547 O\n0.266460 0.959480 0.216231 O\n0.328072 0.844616 0.975698 O\n0.473035 0.775265 0.268644 O\n0.009291 0.482646 0.362669 O\n0.959480 0.266460 0.716231 O\n0.851997 0.927224 0.385241 O\n0.699422 0.604928 0.179433 O\n0.733540 0.040520 0.783769 O\n0.148003 0.072776 0.614759 O\n0.859891 0.988874 0.588453 O\n0.140109 0.011126 0.411547 O\n0.604928 0.699422 0.679433 O\n0.072776 0.148003 0.114759 O\n0.351987 0.147355 0.492600 O\n0.970729 0.517405 0.164224 O\n0.395072 0.300578 0.320567 O\n0.789711 0.394617 0.056223 O\n0.990709 0.517354 0.637331 O\n0.651792 0.465540 0.365880 O\n0.424405 0.624812 0.073478 O\n0.375188 0.575595 0.426522 O\n0.276432 0.109763 0.974168 O\n0.465540 0.651792 0.865880 O\n0.210289 0.605383 0.943777 O\n0.844616 0.328072 0.475698 O\n0.482595 0.029271 0.335776 O\n0.348208 0.534460 0.634120 O\n0.155384 0.671928 0.524302 O\n0.605383 0.210289 0.443777 O\n0.147355 0.351987 0.992600 O\n0.040520 0.733540 0.283769 O\n0.394617 0.789711 0.556223 O\n0.224735 0.526965 0.231356 O\n0.300578 0.395072 0.820567 O\n0.648013 0.852645 0.507400 O\n0.029271 0.482595 0.835776 O\n0.890237 0.723568 0.525832 O\n0.109763 0.276432 0.474168 O\n0.216307 0.963135 0.805988 O\n0.036865 0.783693 0.694012 O\n0.624812 0.424405 0.573478 O\n0.723568 0.890237 0.025832 O\n0.927224 0.851997 0.885241 O\n0.517354 0.990709 0.137331 O\n0.963135 0.216307 0.305988 O\n",
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{
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"structure_string": "Rb2 U1 Br6\n1.0\n0.000000 5.605390 5.605390\n5.605390 0.000000 5.605390\n5.605390 5.605390 0.000000\nRb U Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 U\n0.751908 0.248092 0.751908 Br\n0.248092 0.751908 0.248092 Br\n0.751908 0.751908 0.248092 Br\n0.248092 0.248092 0.751908 Br\n0.751908 0.248092 0.248092 Br\n0.248092 0.751908 0.751908 Br\n",
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{
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{
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{
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"structure_string": "Rb2 Pr2 Nb4 O14\n1.0\n-2.772950 2.786422 11.243152\n2.772950 -2.786422 11.243152\n2.772950 2.786422 -11.243152\nRb Pr Nb O\n2 2 4 14\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.229008 0.250000 0.979008 Pr\n0.770992 0.750000 0.020992 Pr\n0.354817 0.852696 0.502122 Nb\n0.645183 0.147304 0.497878 Nb\n0.850574 0.352696 0.497878 Nb\n0.149426 0.647304 0.502122 Nb\n0.224101 0.750000 0.474101 O\n0.775899 0.250000 0.525899 O\n0.429253 0.932990 0.496262 O\n0.570747 0.067010 0.503738 O\n0.936728 0.432990 0.503738 O\n0.063272 0.567010 0.496262 O\n0.581537 0.581537 0.500000 O\n0.418463 0.918463 0.000000 O\n0.581537 0.081537 0.000000 O\n0.418463 0.418463 0.500000 O\n0.083990 0.083990 0.500000 O\n0.916010 0.416010 0.000000 O\n0.083990 0.583990 0.000000 O\n0.916010 0.916010 0.500000 O\n",
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{
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"structure_string": "Li1 Zn2 Fe4 O8\n1.0\n5.309780 -0.102348 3.117558\n1.673433 5.040224 3.117558\n0.000000 0.000000 6.235116\nLi Zn Fe O\n1 2 4 8\ndirect\n0.750877 0.750877 0.749123 Li\n0.156729 0.599785 0.621743 Zn\n0.599785 0.156729 0.621743 Zn\n0.999978 0.999977 0.000023 Fe\n0.256491 0.256492 0.243508 Fe\n0.618943 0.618943 0.168494 Fe\n0.618943 0.618943 0.593619 Fe\n0.384236 0.384236 0.371556 O\n0.384236 0.384236 0.859973 O\n0.375035 0.871976 0.376494 O\n0.871975 0.375038 0.376493 O\n0.391213 0.868328 0.870230 O\n0.868331 0.391212 0.870229 O\n0.861614 0.861614 0.389759 O\n0.861614 0.861614 0.887014 O\n",
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{
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"structure_string": "La2 As2 Ru2 O2\n1.0\n4.187572 0.000000 0.000000\n0.000000 4.187572 0.000000\n0.000000 0.000000 9.115854\nLa As Ru O\n2 2 2 2\ndirect\n0.000000 0.500000 0.789837 La\n0.500000 0.000000 0.210163 La\n0.000000 0.500000 0.445185 As\n0.500000 0.000000 0.554815 As\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"As",
"Ru",
"O"
],
"chemical_system": "As-La-O-Ru",
"density": 6.874629413423426,
"density_atomic": 0.0500458478928821,
"volume": 159.8534211494061,
"volume_molar": 12.033247539116056,
"formula_full": "La2 As2 Ru2 O2",
"formula_reduced": "LaAsRuO",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -49.13169747,
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"updated_at": "2021-11-28T01:37:48.366000Z",
"spacegroup": 129
},
{
"id": "mp-1206908",
"created_at": "2022-09-04T14:46:59.681629Z",
"structure_string": "Ti1 Sb1 Rh1\n1.0\n0.000000 3.110830 3.110830\n3.110830 0.000000 3.110830\n3.110830 3.110830 0.000000\nTi Sb Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n",
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"chemical_system": "Rh-Sb-Ti",
"density": 7.516377197387062,
"density_atomic": 0.04982673424662565,
"volume": 60.208641914017576,
"volume_molar": 12.086163885821657,
"formula_full": "Ti1 Sb1 Rh1",
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"energy_uncorrected": -20.20949748,
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"updated_at": "2021-11-28T01:37:48.367000Z",
"spacegroup": 216
},
{
"id": "mp-1114162",
"created_at": "2022-09-04T14:46:58.606467Z",
"structure_string": "Rb3 Al1 I6\n1.0\n0.000000 6.242303 6.242303\n6.242303 0.000000 6.242303\n6.242303 6.242303 0.000000\nRb Al I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.777716 0.222284 0.222284 I\n0.222284 0.222284 0.777716 I\n0.222284 0.777716 0.777716 I\n0.222284 0.777716 0.222284 I\n0.777716 0.222284 0.777716 I\n0.777716 0.777716 0.222284 I\n",
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"density": 3.566338953764864,
"density_atomic": 0.02055585133693683,
"volume": 486.4794863558383,
"volume_molar": 29.29647943687358,
"formula_full": "Rb3 Al1 I6",
"formula_reduced": "Rb3AlI6",
"formula_anonymous": "AB3C6",
"energy": -28.92275443,
"energy_per_atom": -2.892275443,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:48.369000Z",
"spacegroup": 225
}
]
}