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"structure_string": "Rb4 Na4 Mo12 O40\n1.0\n7.722395 0.000000 0.000000\n0.000000 7.828975 0.000000\n0.000000 0.000000 15.833120\nRb Na Mo O\n4 4 12 40\ndirect\n0.750000 0.140994 0.145763 Rb\n0.250000 0.859006 0.854237 Rb\n0.750000 0.640994 0.354237 Rb\n0.250000 0.359006 0.645763 Rb\n0.750000 0.062325 0.776582 Na\n0.250000 0.437675 0.276582 Na\n0.750000 0.562325 0.723418 Na\n0.250000 0.937675 0.223418 Na\n0.000676 0.110329 0.398537 Mo\n0.750000 0.737507 0.944014 Mo\n0.500676 0.889671 0.601463 Mo\n0.250000 0.762493 0.444014 Mo\n0.499324 0.110329 0.398537 Mo\n0.250000 0.262493 0.055986 Mo\n0.999324 0.889671 0.601463 Mo\n0.750000 0.237507 0.555986 Mo\n0.999324 0.389671 0.898537 Mo\n0.000676 0.610329 0.101463 Mo\n0.499324 0.610329 0.101463 Mo\n0.500676 0.389671 0.898537 Mo\n0.986156 0.655725 0.964010 O\n0.513844 0.655725 0.964010 O\n0.466976 0.496039 0.802353 O\n0.471012 0.822748 0.131130 O\n0.750000 0.441270 0.911512 O\n0.033024 0.996039 0.697647 O\n0.486156 0.844275 0.464010 O\n0.750000 0.278987 0.666227 O\n0.750000 0.437328 0.509457 O\n0.033024 0.496039 0.802353 O\n0.750000 0.614275 0.073217 O\n0.750000 0.941270 0.588488 O\n0.533024 0.003961 0.302353 O\n0.028988 0.322748 0.368870 O\n0.971012 0.177252 0.868870 O\n0.750000 0.937328 0.990543 O\n0.533024 0.503961 0.197647 O\n0.513844 0.155725 0.535990 O\n0.028988 0.822748 0.131130 O\n0.966976 0.003961 0.302353 O\n0.528988 0.177252 0.868870 O\n0.250000 0.558730 0.088488 O\n0.486156 0.344275 0.035990 O\n0.013844 0.344275 0.035990 O\n0.250000 0.062672 0.009457 O\n0.250000 0.721013 0.333773 O\n0.250000 0.221013 0.166227 O\n0.966976 0.503961 0.197647 O\n0.750000 0.778987 0.833773 O\n0.986156 0.155725 0.535990 O\n0.250000 0.058730 0.411512 O\n0.471012 0.322748 0.368870 O\n0.013844 0.844275 0.464010 O\n0.750000 0.114275 0.426783 O\n0.250000 0.885725 0.573217 O\n0.250000 0.385725 0.926783 O\n0.250000 0.562672 0.490543 O\n0.528988 0.677252 0.631130 O\n0.971012 0.677252 0.631130 O\n0.466976 0.996039 0.697647 O\n",
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"elements": [
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"chemical_system": "Mo-Na-O-Rb",
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"formula_full": "Rb4 Na4 Mo12 O40",
"formula_reduced": "RbNaMo3O10",
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"formation_energy": null,
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"updated_at": "2021-11-28T01:35:55.424000Z",
"spacegroup": 62
},
{
"id": "mp-556779",
"created_at": "2022-09-04T14:42:45.145550Z",
"structure_string": "Ba4 Mo4 Se4 O24\n1.0\n10.351124 0.000000 0.000000\n0.000000 6.375190 0.000000\n0.000000 0.719806 8.534512\nBa Mo Se O\n4 4 4 24\ndirect\n0.308609 0.264566 0.011673 Ba\n0.191391 0.264566 0.511673 Ba\n0.808609 0.735434 0.488327 Ba\n0.691391 0.735434 0.988327 Ba\n0.079390 0.772953 0.769527 Mo\n0.920610 0.227047 0.230473 Mo\n0.579390 0.227047 0.730473 Mo\n0.420610 0.772953 0.269527 Mo\n0.101706 0.707889 0.177219 Se\n0.601706 0.292111 0.322781 Se\n0.898294 0.292111 0.822781 Se\n0.398294 0.707889 0.677219 Se\n0.412294 0.819030 0.060687 O\n0.153350 0.009257 0.825917 O\n0.614460 0.392305 0.503315 O\n0.885540 0.392305 0.003315 O\n0.088653 0.184849 0.196467 O\n0.981795 0.558721 0.274731 O\n0.587706 0.180970 0.939313 O\n0.588653 0.815151 0.303533 O\n0.738795 0.416165 0.239841 O\n0.653350 0.990743 0.674083 O\n0.261205 0.583835 0.760159 O\n0.761205 0.416165 0.739841 O\n0.385540 0.607695 0.496685 O\n0.346650 0.009257 0.325917 O\n0.238795 0.583835 0.260159 O\n0.911347 0.815151 0.803533 O\n0.114460 0.607695 0.996685 O\n0.481795 0.441279 0.225269 O\n0.087706 0.819030 0.560687 O\n0.518205 0.558721 0.774731 O\n0.411347 0.184849 0.696467 O\n0.912294 0.180970 0.439313 O\n0.018205 0.441279 0.725269 O\n0.846650 0.990743 0.174083 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"chemical_system": "Ba-Mo-O-Se",
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"formula_full": "Ba4 Mo4 Se4 O24",
"formula_reduced": "BaMoSeO6",
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"energy_uncorrected": -232.20974904,
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"updated_at": "2021-11-28T01:36:10.739000Z",
"spacegroup": 14
},
{
"id": "mp-726085",
"created_at": "2022-09-04T14:42:45.534400Z",
"structure_string": "Sb4 O12\n1.0\n0.000000 5.226990 5.226990\n5.226990 0.000000 5.226990\n5.226990 5.226990 0.000000\nSb O\n4 12\ndirect\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.697460 0.697460 0.302540 O\n0.302540 0.302540 0.697460 O\n0.697460 0.302540 0.697460 O\n0.302540 0.697460 0.302540 O\n0.302540 0.697460 0.697460 O\n0.697460 0.302540 0.302540 O\n0.552540 0.552540 0.947460 O\n0.947460 0.947460 0.552540 O\n0.552540 0.947460 0.552540 O\n0.947460 0.552540 0.947460 O\n0.947460 0.552540 0.552540 O\n0.552540 0.947460 0.947460 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "O-Sb",
"density": 3.947797312532094,
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"volume": 285.61762487739617,
"volume_molar": 10.750184628428483,
"formula_full": "Sb4 O12",
"formula_reduced": "SbO3",
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"updated_at": "2021-11-28T01:35:51.564000Z",
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}
]
}