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{
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{
"id": "mp-1517230",
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"structure_string": "Ba1 Sr1 Sm1 V1 O6\n1.0\n0.000000 -4.192145 -4.192145\n4.192145 0.000000 -4.192145\n4.192145 -4.192145 0.000000\nBa Sr Sm V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 V\n0.727926 0.272074 0.272074 O\n0.272074 0.727926 0.727926 O\n0.727926 0.272074 0.727926 O\n0.272074 0.727926 0.272074 O\n0.727926 0.727926 0.272074 O\n0.272074 0.272074 0.727926 O\n",
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},
{
"id": "mp-1227501",
"created_at": "2022-09-04T14:47:34.231613Z",
"structure_string": "Ba2 Sr2 Sm8 O16\n1.0\n0.000000 -3.555821 0.000000\n-10.459369 0.000000 0.000000\n0.000000 0.000000 -12.364932\nBa Sr Sm O\n2 2 8 16\ndirect\n0.750000 0.749899 0.147208 Ba\n0.750000 0.249899 0.352792 Ba\n0.250000 0.251173 0.853395 Sr\n0.250000 0.751173 0.646605 Sr\n0.750000 0.083059 0.108431 Sm\n0.750000 0.583059 0.391569 Sm\n0.250000 0.919788 0.886574 Sm\n0.250000 0.419788 0.613426 Sm\n0.750000 0.072991 0.615338 Sm\n0.750000 0.572991 0.884662 Sm\n0.250000 0.924580 0.389303 Sm\n0.250000 0.424580 0.110697 Sm\n0.750000 0.987936 0.283749 O\n0.750000 0.487936 0.216251 O\n0.250000 0.008953 0.716834 O\n0.250000 0.508953 0.783166 O\n0.750000 0.370959 0.978717 O\n0.750000 0.870959 0.521283 O\n0.250000 0.622204 0.014976 O\n0.250000 0.122204 0.485024 O\n0.750000 0.286377 0.677569 O\n0.750000 0.786377 0.822431 O\n0.250000 0.713503 0.329102 O\n0.250000 0.213503 0.170898 O\n0.750000 0.075695 0.919474 O\n0.750000 0.575695 0.580526 O\n0.250000 0.932884 0.074876 O\n0.250000 0.432884 0.425124 O\n",
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{
"id": "mp-17960",
"created_at": "2022-09-04T14:48:25.922177Z",
"structure_string": "Ba4 Sm8 O16\n1.0\n3.579121 0.000000 0.000000\n0.000000 10.663666 0.000000\n0.000000 0.000000 12.464901\nBa Sm O\n4 8 16\ndirect\n0.750000 0.252414 0.852281 Ba\n0.250000 0.747586 0.147719 Ba\n0.750000 0.752414 0.647719 Ba\n0.250000 0.247586 0.352281 Ba\n0.250000 0.576585 0.388660 Sm\n0.750000 0.423415 0.611340 Sm\n0.250000 0.076585 0.111340 Sm\n0.750000 0.923415 0.888660 Sm\n0.750000 0.923136 0.389004 Sm\n0.250000 0.076864 0.610996 Sm\n0.750000 0.423136 0.110996 Sm\n0.250000 0.576864 0.889004 Sm\n0.250000 0.571167 0.575255 O\n0.750000 0.428833 0.424745 O\n0.250000 0.071167 0.924745 O\n0.750000 0.928833 0.075255 O\n0.250000 0.482669 0.217246 O\n0.750000 0.517331 0.782754 O\n0.250000 0.982669 0.282754 O\n0.750000 0.017331 0.717246 O\n0.250000 0.881018 0.518892 O\n0.750000 0.118982 0.481108 O\n0.250000 0.381018 0.981108 O\n0.750000 0.618982 0.018892 O\n0.750000 0.710311 0.334656 O\n0.250000 0.289689 0.665344 O\n0.750000 0.210311 0.165344 O\n0.250000 0.789689 0.834656 O\n",
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"formula_full": "Ba4 Sm8 O16",
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{
"id": "mp-1214228",
"created_at": "2022-09-04T14:40:55.039022Z",
"structure_string": "Ba2 Zr2 Si6 O18\n1.0\n3.435037 -5.949658 0.000000\n3.435037 5.949658 0.000000\n0.000000 0.000000 10.205475\nBa Zr Si O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Zr\n0.666667 0.333333 0.500000 Zr\n0.391423 0.446386 0.250000 Si\n0.553614 0.945037 0.250000 Si\n0.391423 0.945037 0.750000 Si\n0.054963 0.608577 0.250000 Si\n0.553614 0.608577 0.750000 Si\n0.054963 0.446386 0.750000 Si\n0.915678 0.591002 0.117160 O\n0.408998 0.324676 0.117160 O\n0.915678 0.591002 0.382840 O\n0.915678 0.324676 0.617160 O\n0.675324 0.084322 0.117160 O\n0.408998 0.324676 0.382840 O\n0.408998 0.084322 0.617160 O\n0.915678 0.324676 0.882840 O\n0.675324 0.084322 0.382840 O\n0.408998 0.084322 0.882840 O\n0.675324 0.591002 0.617160 O\n0.675324 0.591002 0.882840 O\n0.138877 0.421447 0.250000 O\n0.578553 0.717430 0.250000 O\n0.138877 0.717430 0.750000 O\n0.282570 0.861123 0.250000 O\n0.578553 0.861123 0.750000 O\n0.282570 0.421447 0.750000 O\n",
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"formula_full": "Ba2 Zr2 Si6 O18",
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"spacegroup": 188
},
{
"id": "mp-1214740",
"created_at": "2022-09-04T14:47:14.847737Z",
"structure_string": "Ba8 Zr8 Si12 O48\n1.0\n10.464865 0.000000 0.000000\n0.000000 10.464865 0.000000\n0.000000 0.000000 10.464865\nBa Zr Si O\n8 8 12 48\ndirect\n0.052005 0.052005 0.052005 Ba\n0.447995 0.947995 0.552005 Ba\n0.947995 0.552005 0.447995 Ba\n0.552005 0.447995 0.947995 Ba\n0.815644 0.815644 0.815644 Ba\n0.684356 0.184356 0.315644 Ba\n0.184356 0.315644 0.684356 Ba\n0.315644 0.684356 0.184356 Ba\n0.334871 0.334871 0.334871 Zr\n0.165129 0.665129 0.834871 Zr\n0.665129 0.834871 0.165129 Zr\n0.834871 0.165129 0.665129 Zr\n0.600675 0.600675 0.600675 Zr\n0.899325 0.399325 0.100675 Zr\n0.399325 0.100675 0.899325 Zr\n0.100675 0.899325 0.399325 Zr\n0.019886 0.214022 0.376020 Si\n0.480114 0.785978 0.876020 Si\n0.980114 0.714022 0.123980 Si\n0.376020 0.019886 0.214022 Si\n0.519886 0.285978 0.623980 Si\n0.876020 0.480114 0.785978 Si\n0.123980 0.980114 0.714022 Si\n0.623980 0.519886 0.285978 Si\n0.214022 0.376020 0.019886 Si\n0.714022 0.123980 0.980114 Si\n0.285978 0.623980 0.519886 Si\n0.785978 0.876020 0.480114 Si\n0.012754 0.066698 0.321289 O\n0.487246 0.933302 0.821289 O\n0.987246 0.566698 0.178711 O\n0.321289 0.012754 0.066698 O\n0.512754 0.433302 0.678711 O\n0.821289 0.487246 0.933302 O\n0.178711 0.987246 0.566698 O\n0.678711 0.512754 0.433302 O\n0.066698 0.321289 0.012754 O\n0.566698 0.178711 0.987246 O\n0.433302 0.678711 0.512754 O\n0.933302 0.821289 0.487246 O\n0.264779 0.493617 0.437008 O\n0.235221 0.506383 0.937008 O\n0.735221 0.993617 0.062992 O\n0.437008 0.264779 0.493617 O\n0.764779 0.006383 0.562992 O\n0.937008 0.235221 0.506383 O\n0.062992 0.735221 0.993617 O\n0.562992 0.764779 0.006383 O\n0.493617 0.437008 0.264779 O\n0.993617 0.062992 0.735221 O\n0.006383 0.562992 0.764779 O\n0.506383 0.937008 0.235221 O\n0.051119 0.808337 0.228357 O\n0.448881 0.191663 0.728357 O\n0.948881 0.308337 0.271643 O\n0.228357 0.051119 0.808337 O\n0.551119 0.691663 0.771643 O\n0.728357 0.448881 0.191663 O\n0.271643 0.948881 0.308337 O\n0.771643 0.551119 0.691663 O\n0.808337 0.228357 0.051119 O\n0.308337 0.271643 0.948881 O\n0.691663 0.771643 0.551119 O\n0.191663 0.728357 0.448881 O\n0.166031 0.256591 0.406968 O\n0.333969 0.743409 0.906968 O\n0.833969 0.756591 0.093032 O\n0.406968 0.166031 0.256591 O\n0.666031 0.243409 0.593032 O\n0.906968 0.333969 0.743409 O\n0.093032 0.833969 0.756591 O\n0.593032 0.666031 0.243409 O\n0.256591 0.406968 0.166031 O\n0.756591 0.093032 0.833969 O\n0.243409 0.593032 0.666031 O\n0.743409 0.906968 0.333969 O\n",
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"formula_full": "Ba8 Zr8 Si12 O48",
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{
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"structure_string": "Ba2 Zn4 Si4 O14\n1.0\n3.999207 -6.542363 0.000000\n3.999207 6.542363 0.000000\n0.000000 0.000000 6.711671\nBa Zn Si O\n2 4 4 14\ndirect\n0.228835 0.228835 0.250000 Ba\n0.771165 0.771165 0.750000 Ba\n0.275768 0.724232 0.500000 Zn\n0.724232 0.275768 0.500000 Zn\n0.275768 0.724232 0.000000 Zn\n0.724232 0.275768 0.000000 Zn\n0.086799 0.324180 0.750000 Si\n0.324180 0.086799 0.750000 Si\n0.675820 0.913201 0.250000 Si\n0.913201 0.675820 0.250000 Si\n0.770014 0.156427 0.250000 O\n0.820319 0.558601 0.455453 O\n0.843573 0.229986 0.750000 O\n0.820319 0.558601 0.044547 O\n0.229986 0.843573 0.750000 O\n0.119499 0.119499 0.750000 O\n0.179681 0.441399 0.544547 O\n0.558601 0.820319 0.455453 O\n0.179681 0.441399 0.955453 O\n0.441399 0.179681 0.955453 O\n0.880501 0.880501 0.250000 O\n0.558601 0.820319 0.044547 O\n0.441399 0.179681 0.544547 O\n0.156427 0.770014 0.250000 O\n",
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{
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}