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{
"id": "mp-1235318",
"created_at": "2022-09-04T14:44:30.008831Z",
"structure_string": "Sr1 Li1 U2 O6\n1.0\n3.193617 0.000000 2.255341\n-0.110740 5.758947 10.325720\n-0.073827 0.000000 6.883812\nSr Li U O\n1 1 2 6\ndirect\n0.000000 0.666667 0.000000 Sr\n0.500000 0.666667 0.500000 Li\n0.000000 0.017853 0.973222 U\n0.000000 0.315480 0.026778 U\n0.270229 0.317924 0.252782 O\n0.212141 0.666667 0.288013 O\n0.729771 0.015409 0.747218 O\n0.270229 0.015409 0.206557 O\n0.729771 0.317924 0.793443 O\n0.787859 0.666667 0.711987 O\n",
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{
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"structure_string": "Sr4 Li8 Ti24 O56\n1.0\n5.642853 -8.367803 0.000000\n5.642853 8.367803 0.000000\n0.000000 0.000000 11.561442\nSr Li Ti O\n4 8 24 56\ndirect\n0.353360 0.353360 0.121059 Sr\n0.646640 0.646640 0.878941 Sr\n0.853360 0.853360 0.378941 Sr\n0.146640 0.146640 0.621059 Sr\n0.058557 0.430989 0.121671 Li\n0.441443 0.069011 0.621671 Li\n0.930989 0.558557 0.378329 Li\n0.569011 0.941443 0.878329 Li\n0.941443 0.569011 0.878329 Li\n0.558557 0.930989 0.378329 Li\n0.069011 0.441443 0.621671 Li\n0.430989 0.058557 0.121671 Li\n0.491005 0.275877 0.385052 Ti\n0.008995 0.224123 0.885052 Ti\n0.775877 0.991005 0.114948 Ti\n0.724123 0.508995 0.614948 Ti\n0.508995 0.724123 0.614948 Ti\n0.243032 0.743032 0.250000 Ti\n0.991005 0.775877 0.114948 Ti\n0.224123 0.008995 0.885052 Ti\n0.275877 0.491005 0.385052 Ti\n0.234991 0.017634 0.359559 Ti\n0.265009 0.482366 0.859559 Ti\n0.517634 0.734991 0.140441 Ti\n0.982366 0.765009 0.640441 Ti\n0.765009 0.982366 0.640441 Ti\n0.256968 0.756968 0.750000 Ti\n0.482366 0.265009 0.859559 Ti\n0.017634 0.234991 0.359559 Ti\n0.760593 0.239407 0.500000 Ti\n0.739407 0.260593 0.000000 Ti\n0.239407 0.760593 0.500000 Ti\n0.260593 0.739407 0.000000 Ti\n0.743031 0.243031 0.250000 Ti\n0.756968 0.256968 0.750000 Ti\n0.734991 0.517634 0.140441 Ti\n0.354961 0.139395 0.758923 O\n0.590112 0.590112 0.633775 O\n0.909888 0.909888 0.133775 O\n0.090112 0.090112 0.866225 O\n0.409888 0.409888 0.366225 O\n0.355407 0.139871 0.482843 O\n0.144593 0.360129 0.982843 O\n0.639871 0.855407 0.017157 O\n0.860129 0.644593 0.517157 O\n0.644593 0.860129 0.517157 O\n0.855407 0.639871 0.017157 O\n0.360129 0.144593 0.982843 O\n0.139871 0.355407 0.482843 O\n0.916390 0.916390 0.622865 O\n0.583610 0.583610 0.122865 O\n0.416390 0.416390 0.877135 O\n0.083610 0.083610 0.377135 O\n0.360605 0.145039 0.258923 O\n0.139395 0.354961 0.758923 O\n0.645039 0.860605 0.241077 O\n0.854961 0.639395 0.741077 O\n0.639395 0.854961 0.741077 O\n0.371164 0.628836 0.000000 O\n0.145039 0.360605 0.258923 O\n0.367368 0.632632 0.500000 O\n0.132632 0.867368 0.000000 O\n0.632632 0.367368 0.500000 O\n0.867368 0.132632 0.000000 O\n0.146065 0.620722 0.378232 O\n0.353935 0.879278 0.878232 O\n0.120722 0.646065 0.121768 O\n0.379278 0.853935 0.621768 O\n0.853935 0.379278 0.621768 O\n0.646065 0.120722 0.121768 O\n0.879278 0.353935 0.878232 O\n0.620722 0.146065 0.378232 O\n0.363378 0.627868 0.250000 O\n0.136622 0.872132 0.750000 O\n0.127868 0.863378 0.250000 O\n0.372132 0.636622 0.750000 O\n0.636622 0.372132 0.750000 O\n0.863378 0.127868 0.250000 O\n0.872132 0.136622 0.750000 O\n0.627868 0.363378 0.250000 O\n0.880463 0.348107 0.371861 O\n0.619537 0.151893 0.871861 O\n0.848107 0.380463 0.128139 O\n0.651893 0.119537 0.628139 O\n0.119537 0.651893 0.628139 O\n0.380463 0.848107 0.128139 O\n0.151893 0.619537 0.871861 O\n0.348107 0.880463 0.371861 O\n0.871164 0.128836 0.500000 O\n0.628836 0.371164 0.000000 O\n0.128836 0.871164 0.500000 O\n0.860605 0.645039 0.241077 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
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"chemical_system": "Li-O-Sr-Ti",
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"density_atomic": 0.0842627527615677,
"volume": 1091.8228634225354,
"volume_molar": 7.1468597483877865,
"formula_full": "Sr4 Li8 Ti24 O56",
"formula_reduced": "SrLi2Ti6O14",
"formula_anonymous": "AB2C6D14",
"energy": -801.0573463499999,
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"band_gap": 2.8389000000000006,
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"total_magnetization": 8.09e-05,
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"updated_at": "2021-11-28T01:37:43.202000Z",
"spacegroup": 64
},
{
"id": "mp-1208599",
"created_at": "2022-09-04T14:42:43.283402Z",
"structure_string": "Sr2 Li2 Ti2 F12\n1.0\n2.665048 -4.615998 0.000000\n2.665048 4.615998 0.000000\n0.000000 0.000000 10.533662\nSr Li Ti F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.642797 0.012394 0.643739 F\n0.357203 0.987606 0.356261 F\n0.987606 0.630403 0.643739 F\n0.642797 0.630403 0.856261 F\n0.012394 0.369597 0.356261 F\n0.357203 0.369597 0.143739 F\n0.369597 0.357203 0.643739 F\n0.987606 0.357203 0.856261 F\n0.630403 0.642797 0.356261 F\n0.012394 0.642797 0.143739 F\n0.369597 0.012394 0.856261 F\n0.630403 0.987606 0.143739 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Li-Sr-Ti",
"density": 3.285854205255219,
"density_atomic": 0.06945323564708573,
"volume": 259.16719116534466,
"volume_molar": 8.670785030952969,
"formula_full": "Sr2 Li2 Ti2 F12",
"formula_reduced": "SrLiTiF6",
"formula_anonymous": "ABCD6",
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"updated_at": "2021-11-28T01:35:51.168000Z",
"spacegroup": 163
},
{
"id": "mp-1208808",
"created_at": "2022-09-04T14:43:58.518056Z",
"structure_string": "Sr4 Li2 Te2 O12\n1.0\n0.000000 -5.679665 0.000000\n-4.640904 0.000000 3.273589\n-4.641786 0.000000 -6.601427\nSr Li Te O\n4 2 2 12\ndirect\n0.500985 0.002280 0.749944 Sr\n0.499015 0.997720 0.250056 Sr\n0.000985 0.497720 0.750056 Sr\n0.999015 0.502280 0.249944 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.776449 0.743187 0.995883 O\n0.223551 0.256813 0.004117 O\n0.276449 0.756813 0.504117 O\n0.723551 0.243187 0.495883 O\n0.256406 0.776077 0.996713 O\n0.743594 0.223923 0.003287 O\n0.756406 0.723923 0.503287 O\n0.243594 0.276077 0.496713 O\n0.999897 0.008689 0.760559 O\n0.000103 0.991311 0.239441 O\n0.499897 0.491311 0.739441 O\n0.500103 0.508689 0.260559 O\n",
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"formula_full": "Sr4 Li2 Te2 O12",
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{
"id": "mp-1208810",
"created_at": "2022-09-04T14:44:52.184398Z",
"structure_string": "Sr4 Li2 Te2 O12\n1.0\n4.701663 0.000000 -3.275617\n0.000000 5.816949 0.000000\n4.663292 0.000000 6.502459\nSr Li Te O\n4 2 2 12\ndirect\n0.007703 0.467268 0.252762 Sr\n0.992297 0.532732 0.747238 Sr\n0.492297 0.967268 0.247238 Sr\n0.507703 0.032732 0.752762 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.942088 0.014278 0.239476 O\n0.057912 0.985722 0.760524 O\n0.557912 0.514278 0.260524 O\n0.442088 0.485723 0.739476 O\n0.203128 0.737181 0.032749 O\n0.796872 0.262819 0.967251 O\n0.296872 0.237181 0.467251 O\n0.703128 0.762819 0.532749 O\n0.266760 0.203620 0.026135 O\n0.733240 0.796380 0.973865 O\n0.233240 0.703620 0.473865 O\n0.766760 0.296380 0.526135 O\n",
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{
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"structure_string": "Sr6 Li2 Ta2 O12\n1.0\n4.724918 -4.952180 0.000000\n4.724918 4.952180 0.000000\n-0.465456 0.000000 6.828784\nSr Li Ta O\n6 2 2 12\ndirect\n0.102287 0.750000 0.397713 Sr\n0.397713 0.102287 0.750000 Sr\n0.750000 0.397713 0.102287 Sr\n0.897713 0.250000 0.602287 Sr\n0.602287 0.897713 0.250000 Sr\n0.250000 0.602287 0.897713 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.219402 0.419710 0.547505 O\n0.547505 0.219402 0.419710 O\n0.419710 0.547505 0.219402 O\n0.047505 0.919710 0.719402 O\n0.719402 0.047505 0.919710 O\n0.919710 0.719402 0.047505 O\n0.780598 0.580290 0.452495 O\n0.452495 0.780598 0.580290 O\n0.580290 0.452495 0.780598 O\n0.952495 0.080290 0.280598 O\n0.280598 0.952495 0.080290 O\n0.080290 0.280598 0.952495 O\n",
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"formula_full": "Sr6 Li2 Ta2 O12",
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"updated_at": "2021-11-28T01:35:14.253000Z",
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{
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"created_at": "2022-09-04T14:45:25.809939Z",
"structure_string": "Sr1 Li2 Ta2 O7\n1.0\n-1.991326 1.991326 9.268297\n1.991326 -1.991326 9.268297\n1.991326 1.991326 -9.268297\nSr Li Ta O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.614074 0.614074 0.000000 Ta\n0.385926 0.385926 0.000000 Ta\n0.500000 0.500000 0.000000 O\n0.103733 0.603733 0.500000 O\n0.603733 0.103733 0.500000 O\n0.896267 0.396267 0.500000 O\n0.396267 0.896267 0.500000 O\n0.283670 0.283670 0.000000 O\n0.716330 0.716330 0.000000 O\n",
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"formula_full": "Sr1 Li2 Ta2 O7",
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"spacegroup": 139
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{
"id": "mp-558054",
"created_at": "2022-09-04T14:42:45.725514Z",
"structure_string": "Sr2 Li4 Ta4 O14\n1.0\n2.818583 -9.205452 0.000000\n2.818583 9.205452 0.000000\n0.000000 0.000000 5.630893\nSr Li Ta O\n2 4 4 14\ndirect\n0.254801 0.254801 0.250000 Sr\n0.745199 0.745199 0.750000 Sr\n0.741702 0.258298 0.500000 Li\n0.258298 0.741702 0.500000 Li\n0.258298 0.741702 0.000000 Li\n0.741702 0.258298 0.000000 Li\n0.132726 0.362002 0.750000 Ta\n0.362002 0.132726 0.750000 Ta\n0.637998 0.867274 0.250000 Ta\n0.867274 0.637998 0.250000 Ta\n0.903085 0.096915 0.000000 O\n0.989795 0.555824 0.250000 O\n0.612380 0.387620 0.000000 O\n0.903085 0.096915 0.500000 O\n0.555824 0.989795 0.250000 O\n0.096915 0.903085 0.000000 O\n0.612380 0.387620 0.500000 O\n0.387620 0.612380 0.500000 O\n0.096915 0.903085 0.500000 O\n0.444176 0.010205 0.750000 O\n0.284791 0.284791 0.750000 O\n0.010205 0.444176 0.750000 O\n0.387620 0.612380 0.000000 O\n0.715209 0.715209 0.250000 O\n",
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{
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