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{
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{
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{
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{
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{
"id": "mp-540750",
"created_at": "2022-09-04T14:44:51.746025Z",
"structure_string": "Cs4 Nb4 P8 O32\n1.0\n9.048715 0.000000 0.000000\n0.000000 4.995033 0.000000\n0.000000 3.215915 18.731646\nCs Nb P O\n4 4 8 32\ndirect\n0.289551 0.835696 0.939423 Cs\n0.789551 0.164304 0.560577 Cs\n0.710449 0.164304 0.060577 Cs\n0.210449 0.835696 0.439423 Cs\n0.942775 0.338880 0.832025 Nb\n0.442775 0.661120 0.667975 Nb\n0.057225 0.661120 0.167975 Nb\n0.557225 0.338880 0.332025 Nb\n0.715381 0.808878 0.892684 P\n0.215381 0.191122 0.607316 P\n0.284619 0.191122 0.107316 P\n0.784619 0.808878 0.392684 P\n0.619242 0.127103 0.757507 P\n0.119242 0.872897 0.742493 P\n0.380758 0.872897 0.242493 P\n0.880758 0.127103 0.257507 P\n0.066828 0.408350 0.897752 O\n0.566828 0.591650 0.602248 O\n0.933172 0.591650 0.102248 O\n0.433172 0.408350 0.397752 O\n0.773045 0.577084 0.855375 O\n0.273045 0.422916 0.644625 O\n0.226955 0.422916 0.144625 O\n0.726955 0.577084 0.355375 O\n0.841773 0.016924 0.896092 O\n0.341773 0.983076 0.603908 O\n0.158227 0.983076 0.103908 O\n0.658227 0.016924 0.396092 O\n0.638173 0.721422 0.961991 O\n0.138173 0.278578 0.538009 O\n0.361827 0.278578 0.038009 O\n0.861827 0.721422 0.461991 O\n0.591219 0.966744 0.837733 O\n0.091219 0.033256 0.662267 O\n0.408781 0.033256 0.162267 O\n0.908781 0.966744 0.337733 O\n0.778277 0.219724 0.750212 O\n0.278277 0.780276 0.749788 O\n0.221723 0.780276 0.249788 O\n0.721723 0.219724 0.250212 O\n0.004857 0.640008 0.750447 O\n0.504857 0.359992 0.749553 O\n0.995143 0.359992 0.249553 O\n0.495143 0.640008 0.250447 O\n0.081919 0.070492 0.794011 O\n0.581919 0.929508 0.705989 O\n0.918081 0.929508 0.205989 O\n0.418081 0.070492 0.294011 O\n",
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{
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"structure_string": "Rb2 Li4 Cd2 C4 O12 F2\n1.0\n2.494213 -4.320103 0.000000\n2.494213 4.320103 0.000000\n0.000000 0.000000 15.624048\nRb Li Cd C O F\n2 4 2 4 12 2\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.630491 Li\n0.666667 0.333333 0.130491 Li\n0.666667 0.333333 0.369509 Li\n0.333333 0.666667 0.869509 Li\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.590202 C\n0.333333 0.666667 0.090202 C\n0.333333 0.666667 0.409798 C\n0.666667 0.333333 0.909798 C\n0.666791 0.594345 0.590817 O\n0.405655 0.072446 0.590817 O\n0.927554 0.333209 0.590817 O\n0.333209 0.405655 0.090817 O\n0.594345 0.927554 0.090817 O\n0.072446 0.666791 0.090817 O\n0.333209 0.405655 0.409183 O\n0.594345 0.927554 0.409183 O\n0.072446 0.666791 0.409183 O\n0.666791 0.594345 0.909183 O\n0.405655 0.072446 0.909183 O\n0.927554 0.333209 0.909183 O\n0.333333 0.666667 0.750000 F\n0.666667 0.333333 0.250000 F\n",
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{
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{
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{
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{
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"elements": [
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{
"id": "mp-568365",
"created_at": "2022-09-04T14:44:57.579260Z",
"structure_string": "Li48 Br24 N8\n1.0\n-5.762214 5.806237 11.394929\n5.762214 -5.806237 11.394929\n5.762214 5.806237 -11.394929\nLi Br N\n48 24 8\ndirect\n0.335810 0.375384 0.827388 Li\n0.549069 0.010616 0.173521 Li\n0.422271 0.641880 0.993846 Li\n0.164190 0.991578 0.039575 Li\n0.049069 0.875547 0.538452 Li\n0.514350 0.545350 0.674731 Li\n0.879452 0.333502 0.320873 Li\n0.487371 0.441421 0.820873 Li\n0.870619 0.045350 0.531000 Li\n0.648034 0.141880 0.719609 Li\n0.512629 0.558579 0.179127 Li\n0.450931 0.989384 0.826479 Li\n0.638723 0.914584 0.993224 Li\n0.012629 0.833502 0.954050 Li\n0.077729 0.071575 0.219609 Li\n0.662905 0.624453 0.673521 Li\n0.952004 0.491578 0.327388 Li\n0.485650 0.454650 0.325269 Li\n0.120548 0.666498 0.679127 Li\n0.835810 0.008422 0.960425 Li\n0.664190 0.624616 0.172612 Li\n0.421360 0.645499 0.506776 Li\n0.078640 0.585416 0.224139 Li\n0.861277 0.854501 0.275861 Li\n0.370619 0.839619 0.825269 Li\n0.014350 0.339619 0.969000 Li\n0.361277 0.085416 0.006776 Li\n0.547996 0.875384 0.539575 Li\n0.129381 0.954650 0.469000 Li\n0.851966 0.571575 0.493846 Li\n0.148034 0.428425 0.506154 Li\n0.337095 0.375547 0.326479 Li\n0.950931 0.124453 0.461548 Li\n0.629381 0.160381 0.174731 Li\n0.985650 0.660381 0.031000 Li\n0.921360 0.414584 0.775861 Li\n0.047996 0.508422 0.672612 Li\n0.577729 0.358120 0.006154 Li\n0.987371 0.166498 0.045950 Li\n0.351966 0.858120 0.280391 Li\n0.922271 0.928425 0.780391 Li\n0.837095 0.510616 0.961548 Li\n0.452004 0.124616 0.460425 Li\n0.578640 0.354501 0.493224 Li\n0.620548 0.941421 0.454050 Li\n0.138723 0.145499 0.724139 Li\n0.162905 0.489384 0.038452 Li\n0.379452 0.058579 0.545950 Li\n0.250000 0.779040 0.529040 Br\n0.635821 0.385821 0.250000 Br\n0.383972 0.640814 0.279138 Br\n0.730284 0.750000 0.480284 Br\n0.861676 0.104834 0.220862 Br\n0.886833 0.636833 0.250000 Br\n0.250000 0.279040 0.029040 Br\n0.883972 0.604834 0.743158 Br\n0.269716 0.250000 0.519716 Br\n0.138324 0.895166 0.779138 Br\n0.386833 0.136833 0.250000 Br\n0.769716 0.250000 0.019716 Br\n0.750000 0.720960 0.970960 Br\n0.135821 0.885821 0.250000 Br\n0.864179 0.114179 0.750000 Br\n0.113167 0.363167 0.750000 Br\n0.230284 0.750000 0.980284 Br\n0.638324 0.859186 0.243158 Br\n0.361676 0.140814 0.756842 Br\n0.750000 0.220960 0.470960 Br\n0.364179 0.614179 0.750000 Br\n0.613167 0.863167 0.750000 Br\n0.616028 0.359186 0.720862 Br\n0.116028 0.395166 0.256842 Br\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
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],
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"density": 2.573012626924745,
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"volume": 1524.9505365414097,
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"formula_full": "Li48 Br24 N8",
"formula_reduced": "Li6Br3N",
"formula_anonymous": "AB3C6",
"energy": -301.90658423,
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{
"id": "mp-1104327",
"created_at": "2022-09-04T14:44:58.601112Z",
"structure_string": "Cr5 Se8\n1.0\n3.624584 5.808177 0.000000\n-3.624584 5.808177 0.000000\n0.000000 5.673743 6.313821\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270795 0.270795 0.985797 Cr\n0.729205 0.729205 0.014203 Cr\n0.271671 0.728329 0.500000 Cr\n0.728329 0.271671 0.500000 Cr\n0.979334 0.979334 0.322354 Se\n0.020666 0.020666 0.677646 Se\n0.453310 0.453310 0.333033 Se\n0.546690 0.546690 0.666967 Se\n0.030797 0.543362 0.171343 Se\n0.543362 0.030797 0.171343 Se\n0.969203 0.456638 0.828657 Se\n0.456638 0.969203 0.828657 Se\n",
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"formula_full": "Cr5 Se8",
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]
}