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{
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{
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{
"id": "mp-1218184",
"created_at": "2022-09-04T14:39:33.567161Z",
"structure_string": "Sr1 La1 Al1 O4\n1.0\n-1.900861 1.900861 6.286267\n1.900861 -1.900861 6.286267\n1.900861 1.900861 -6.286267\nSr La Al O\n1 1 1 4\ndirect\n0.642178 0.642178 0.000000 Sr\n0.358092 0.358092 0.000000 La\n0.004376 0.004376 0.000000 Al\n0.839400 0.839400 0.000000 O\n0.164277 0.164277 0.000000 O\n0.995839 0.495839 0.500000 O\n0.495839 0.995839 0.500000 O\n",
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"elements": [
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"formula_full": "Sr1 La1 Al1 O4",
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"formula_anonymous": "ABCD4",
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{
"id": "mp-1218220",
"created_at": "2022-09-04T14:40:10.124382Z",
"structure_string": "Sr2 La2 Al6 O14\n1.0\n5.617558 -5.634159 0.000000\n5.617558 5.634159 0.000000\n0.000000 0.000000 5.287861\nSr La Al O\n2 2 6 14\ndirect\n0.662097 0.662097 0.489814 Sr\n0.337903 0.337903 0.489814 Sr\n0.835810 0.164190 0.510156 La\n0.164190 0.835810 0.510156 La\n0.858061 0.858061 0.038509 Al\n0.643352 0.356648 0.961876 Al\n0.141939 0.141939 0.038509 Al\n0.356648 0.643352 0.961876 Al\n0.500000 0.000000 0.999733 Al\n0.000000 0.500000 0.999733 Al\n0.666143 0.917987 0.186503 O\n0.837798 0.409742 0.808722 O\n0.333857 0.082013 0.186503 O\n0.162202 0.590258 0.808722 O\n0.409742 0.837798 0.808722 O\n0.082013 0.333857 0.186503 O\n0.590258 0.162202 0.808722 O\n0.917987 0.666143 0.186503 O\n0.867806 0.867806 0.707306 O\n0.650644 0.349356 0.291576 O\n0.132194 0.132194 0.707306 O\n0.349356 0.650644 0.291576 O\n0.500000 0.500000 0.833464 O\n0.000000 0.000000 0.187697 O\n",
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"formula_full": "Sr2 La2 Al6 O14",
"formula_reduced": "SrLaAl3O7",
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"energy": -190.94941273,
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{
"id": "mp-1218238",
"created_at": "2022-09-04T14:48:29.765141Z",
"structure_string": "Sr1 La2 Al2 O7\n1.0\n-1.891742 1.891742 10.333904\n1.891742 -1.891742 10.333904\n1.891742 1.891742 -10.333904\nSr La Al O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.680464 0.680464 0.000000 La\n0.319536 0.319536 0.000000 La\n0.910112 0.910112 0.000000 Al\n0.089888 0.089888 0.000000 Al\n0.900337 0.400337 0.500000 O\n0.400337 0.900337 0.500000 O\n0.099663 0.599663 0.500000 O\n0.599663 0.099663 0.500000 O\n0.798496 0.798496 0.000000 O\n0.201504 0.201504 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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"elements": [
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"formula_full": "Sr1 La2 Al2 O7",
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{
"id": "mp-12295",
"created_at": "2022-09-04T14:40:34.614682Z",
"structure_string": "Sr12 La8 B16 O48\n1.0\n7.441399 0.000000 0.000000\n0.000000 8.947301 0.000000\n0.000000 0.000000 16.835698\nSr La B O\n12 8 16 48\ndirect\n0.681599 0.348497 0.924581 Sr\n0.318401 0.651503 0.424581 Sr\n0.818401 0.848497 0.424581 Sr\n0.181599 0.151503 0.924581 Sr\n0.966037 0.325495 0.719098 Sr\n0.033963 0.674505 0.219098 Sr\n0.533963 0.825495 0.219098 Sr\n0.466037 0.174505 0.719098 Sr\n0.691447 0.352524 0.172957 Sr\n0.308553 0.647476 0.672957 Sr\n0.808553 0.852524 0.672957 Sr\n0.191447 0.147476 0.172957 Sr\n0.967930 0.331153 0.380027 La\n0.032070 0.668847 0.880027 La\n0.532070 0.831153 0.880027 La\n0.467930 0.168847 0.380027 La\n0.682912 0.466612 0.552296 La\n0.317088 0.533388 0.052296 La\n0.817088 0.966612 0.052296 La\n0.182912 0.033388 0.552296 La\n0.983998 0.370890 0.047224 B\n0.016002 0.629110 0.547224 B\n0.516002 0.870890 0.547224 B\n0.483998 0.129110 0.047224 B\n0.277992 0.356387 0.549438 B\n0.722008 0.643613 0.049438 B\n0.222008 0.856387 0.049438 B\n0.777992 0.143613 0.549438 B\n0.336513 0.439847 0.258398 B\n0.663487 0.560153 0.758398 B\n0.163487 0.939847 0.758398 B\n0.836513 0.060153 0.258398 B\n0.328191 0.450668 0.842419 B\n0.671809 0.549332 0.342419 B\n0.171809 0.950668 0.342419 B\n0.828191 0.049332 0.842419 B\n0.382633 0.259341 0.044646 O\n0.617367 0.740659 0.544646 O\n0.117367 0.759341 0.544646 O\n0.882633 0.240659 0.044646 O\n0.045613 0.427416 0.119206 O\n0.954387 0.572584 0.619206 O\n0.454387 0.927416 0.619206 O\n0.545613 0.072584 0.119206 O\n0.037453 0.442347 0.976683 O\n0.962547 0.557653 0.476683 O\n0.462547 0.942347 0.476683 O\n0.537453 0.057653 0.976683 O\n0.235164 0.281962 0.618561 O\n0.764836 0.718038 0.118561 O\n0.264836 0.781962 0.118561 O\n0.735164 0.218038 0.618561 O\n0.247199 0.281542 0.477959 O\n0.752801 0.718458 0.977959 O\n0.252801 0.781542 0.977959 O\n0.747199 0.218458 0.477959 O\n0.638906 0.506212 0.049497 O\n0.361094 0.493788 0.549497 O\n0.861094 0.006212 0.549497 O\n0.138906 0.993788 0.049497 O\n0.207270 0.474544 0.315307 O\n0.792730 0.525456 0.815307 O\n0.292730 0.974544 0.815307 O\n0.707270 0.025456 0.315307 O\n0.412395 0.296774 0.258126 O\n0.587605 0.703226 0.758126 O\n0.087605 0.796774 0.758126 O\n0.912395 0.203226 0.258126 O\n0.612741 0.460323 0.700110 O\n0.387259 0.539677 0.200110 O\n0.887259 0.960323 0.200110 O\n0.112741 0.039677 0.700110 O\n0.806479 0.510922 0.288904 O\n0.193521 0.489078 0.788904 O\n0.693521 0.010922 0.788904 O\n0.306479 0.989078 0.288904 O\n0.398534 0.308403 0.845408 O\n0.601466 0.691597 0.345408 O\n0.101466 0.808403 0.345408 O\n0.898534 0.191597 0.845408 O\n0.618162 0.440127 0.397155 O\n0.381838 0.559873 0.897155 O\n0.881838 0.940127 0.897155 O\n0.118162 0.059873 0.397155 O\n",
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"formula_full": "Sr12 La8 B16 O48",
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{
"id": "mp-1208818",
"created_at": "2022-09-04T14:42:44.867760Z",
"structure_string": "Sr8 La4 Be4 O20\n1.0\n6.692180 0.000000 0.000000\n0.000000 7.505596 0.000000\n0.000000 0.000000 9.763802\nSr La Be O\n8 4 4 20\ndirect\n0.585846 0.524933 0.826586 Sr\n0.414154 0.475067 0.173414 Sr\n0.085846 0.475067 0.673414 Sr\n0.414154 0.024933 0.173414 Sr\n0.914154 0.524933 0.326586 Sr\n0.585846 0.975067 0.826586 Sr\n0.914154 0.975067 0.326586 Sr\n0.085846 0.024933 0.673414 Sr\n0.096107 0.750000 0.970544 La\n0.903893 0.250000 0.029456 La\n0.596107 0.250000 0.529456 La\n0.403893 0.750000 0.470544 La\n0.811461 0.750000 0.601506 Be\n0.188539 0.250000 0.398494 Be\n0.311461 0.250000 0.898494 Be\n0.688539 0.750000 0.101506 Be\n0.689544 0.565470 0.564458 O\n0.310456 0.434530 0.435542 O\n0.189544 0.434530 0.935542 O\n0.310456 0.065470 0.435542 O\n0.810456 0.565470 0.064458 O\n0.689544 0.934530 0.564458 O\n0.810456 0.934530 0.064458 O\n0.189544 0.065470 0.935542 O\n0.871173 0.750000 0.768085 O\n0.128827 0.250000 0.231915 O\n0.371173 0.250000 0.731915 O\n0.628827 0.750000 0.268085 O\n0.025724 0.750000 0.512798 O\n0.974276 0.250000 0.487202 O\n0.525724 0.250000 0.987202 O\n0.474276 0.750000 0.012798 O\n0.327756 0.750000 0.721830 O\n0.672244 0.250000 0.278170 O\n0.827756 0.250000 0.778170 O\n0.172244 0.750000 0.221830 O\n",
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"elements": [
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"volume": 490.42405242284093,
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"formula_full": "Sr8 La4 Be4 O20",
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"energy": -260.7668321,
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"spacegroup": 62
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{
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"created_at": "2022-09-04T14:41:00.262211Z",
"structure_string": "Sr4 La8 Be4 O20\n1.0\n6.735375 0.000000 0.000000\n0.000000 7.400850 0.000000\n0.000000 0.000000 9.791039\nSr La Be O\n4 8 4 20\ndirect\n0.583009 0.981766 0.675344 Sr\n0.416991 0.481766 0.324656 Sr\n0.083009 0.481766 0.824656 Sr\n0.916991 0.981766 0.175344 Sr\n0.095919 0.746141 0.523819 La\n0.404081 0.746141 0.023819 La\n0.904081 0.246141 0.476181 La\n0.595919 0.246141 0.976181 La\n0.925073 0.527904 0.172271 La\n0.074927 0.027904 0.827729 La\n0.425073 0.027904 0.327729 La\n0.574927 0.527904 0.672271 La\n0.692459 0.749298 0.400570 Be\n0.807541 0.749298 0.900570 Be\n0.307541 0.249298 0.599430 Be\n0.192459 0.249298 0.099430 Be\n0.016028 0.749138 0.990290 O\n0.483972 0.749138 0.490290 O\n0.983972 0.249138 0.009710 O\n0.516028 0.249138 0.509710 O\n0.311081 0.059748 0.067506 O\n0.196205 0.440146 0.566873 O\n0.688919 0.559748 0.932494 O\n0.803795 0.940146 0.433127 O\n0.696205 0.940146 0.933127 O\n0.811081 0.559748 0.432494 O\n0.303795 0.440146 0.066873 O\n0.188919 0.059748 0.567506 O\n0.162800 0.745723 0.277979 O\n0.337200 0.745723 0.777979 O\n0.837200 0.245723 0.722021 O\n0.662800 0.245723 0.222021 O\n0.635408 0.750137 0.230583 O\n0.864592 0.750137 0.730583 O\n0.364592 0.250137 0.769417 O\n0.135408 0.250137 0.269417 O\n",
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{
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{
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