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{
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{
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{
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},
{
"id": "mp-3943",
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"structure_string": "Ba3 Ti6 O15\n1.0\n1.957623 8.535091 0.000000\n-1.957623 8.535091 0.000000\n0.000000 2.162237 9.450597\nBa Ti O\n3 6 15\ndirect\n0.500000 0.500000 0.500000 Ba\n0.368670 0.368670 0.986805 Ba\n0.631330 0.631330 0.013195 Ba\n0.832736 0.832736 0.698612 Ti\n0.167264 0.167264 0.301388 Ti\n0.205028 0.205028 0.626459 Ti\n0.794972 0.794972 0.373541 Ti\n0.037922 0.037922 0.791157 Ti\n0.962078 0.962078 0.208843 Ti\n0.000000 0.000000 0.000000 O\n0.941751 0.941751 0.710702 O\n0.058249 0.058249 0.289298 O\n0.789428 0.789428 0.878674 O\n0.210572 0.210572 0.121326 O\n0.735721 0.735721 0.600175 O\n0.264279 0.264279 0.399825 O\n0.675638 0.675638 0.337652 O\n0.324362 0.324362 0.662348 O\n0.466477 0.466477 0.206725 O\n0.533523 0.533523 0.793275 O\n0.893283 0.893283 0.422654 O\n0.106717 0.106717 0.577346 O\n0.847821 0.847821 0.187822 O\n0.152179 0.152179 0.812178 O\n",
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"formula_full": "Ba3 Ti6 O15",
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{
"id": "mp-555966",
"created_at": "2022-09-04T14:45:39.397780Z",
"structure_string": "Ba3 Ti6 O15\n1.0\n1.984639 8.521719 0.000000\n-1.984639 8.521719 0.000000\n0.000000 2.134662 9.355053\nBa Ti O\n3 6 15\ndirect\n0.366805 0.369321 0.984050 Ba\n0.630679 0.633195 0.015950 Ba\n0.496668 0.503332 0.500000 Ba\n0.065856 0.011803 0.790583 Ti\n0.157174 0.175893 0.304389 Ti\n0.824107 0.842826 0.695611 Ti\n0.192194 0.220682 0.627401 Ti\n0.988197 0.934144 0.209417 Ti\n0.779318 0.807806 0.372599 Ti\n0.203261 0.217719 0.122654 O\n0.723814 0.747065 0.601044 O\n0.314063 0.336008 0.662702 O\n0.142619 0.162822 0.814017 O\n0.985745 0.014255 0.000000 O\n0.663992 0.685937 0.337298 O\n0.837178 0.857381 0.185983 O\n0.782281 0.796739 0.877346 O\n0.513691 0.556177 0.790988 O\n0.926469 0.958381 0.710660 O\n0.443823 0.486309 0.209012 O\n0.099399 0.117365 0.574836 O\n0.252935 0.276186 0.398956 O\n0.882635 0.900601 0.425164 O\n0.041619 0.073531 0.289340 O\n",
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{
"id": "mp-33339",
"created_at": "2022-09-04T14:45:52.871642Z",
"structure_string": "Ba3 Ti3 O8\n1.0\n2.844845 5.048800 0.000000\n-2.844845 5.048800 0.000000\n0.000000 0.209282 7.039284\nBa Ti O\n3 3 8\ndirect\n0.665471 0.665471 0.167311 Ba\n0.334529 0.334529 0.832689 Ba\n0.000000 0.000000 0.500000 Ba\n0.682313 0.682313 0.684032 Ti\n0.317687 0.317687 0.315968 Ti\n0.000000 0.000000 0.000000 Ti\n0.664726 0.172445 0.172869 O\n0.500000 0.000000 0.500000 O\n0.172445 0.664726 0.172869 O\n0.000000 0.500000 0.500000 O\n0.335274 0.827555 0.827131 O\n0.166443 0.166443 0.161397 O\n0.827555 0.335274 0.827131 O\n0.833557 0.833557 0.838603 O\n",
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{
"id": "mp-1228452",
"created_at": "2022-09-04T14:43:50.059216Z",
"structure_string": "Ba3 Ti3 Fe3 Bi2 O18\n1.0\n2.818583 -4.881929 0.000000\n2.818583 4.881929 0.000000\n0.000000 0.000000 13.886766\nBa Ti Fe Bi O\n3 3 3 2 18\ndirect\n0.000000 0.000000 0.988562 Ba\n0.666667 0.333333 0.169016 Ba\n0.000000 0.000000 0.497529 Ba\n0.666667 0.333333 0.910530 Ti\n0.333333 0.666667 0.064738 Ti\n0.000000 0.000000 0.739750 Ti\n0.000000 0.000000 0.255506 Fe\n0.666667 0.333333 0.421800 Fe\n0.333333 0.666667 0.585861 Fe\n0.333333 0.666667 0.296815 Bi\n0.666667 0.333333 0.700022 Bi\n0.825427 0.174573 0.827364 O\n0.503365 0.496635 0.503335 O\n0.163512 0.836488 0.666531 O\n0.830298 0.169702 0.336948 O\n0.501928 0.498072 0.002259 O\n0.173547 0.826453 0.175743 O\n0.672975 0.836488 0.666531 O\n0.339403 0.169702 0.336948 O\n0.993269 0.496635 0.503335 O\n0.652906 0.826453 0.175743 O\n0.349145 0.174573 0.827364 O\n0.996145 0.498072 0.002259 O\n0.825427 0.650855 0.827364 O\n0.503365 0.006731 0.503335 O\n0.163512 0.327025 0.666531 O\n0.830298 0.660597 0.336948 O\n0.501928 0.003855 0.002259 O\n0.173547 0.347094 0.175743 O\n",
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{
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"structure_string": "Ba3 Ti3 B2 O12\n1.0\n4.444607 -7.698286 0.000000\n4.444607 7.698286 0.000000\n0.000000 0.000000 3.857251\nBa Ti B O\n3 3 2 12\ndirect\n0.404285 0.404285 0.500000 Ba\n0.595715 0.000000 0.500000 Ba\n0.000000 0.595715 0.500000 Ba\n0.765416 0.765416 0.000000 Ti\n0.234584 0.000000 0.000000 Ti\n0.000000 0.234584 0.000000 Ti\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.185094 0.505657 0.000000 O\n0.505657 0.185094 0.000000 O\n0.814906 0.320563 0.000000 O\n0.679437 0.494343 0.000000 O\n0.494343 0.679437 0.000000 O\n0.320563 0.814906 0.000000 O\n0.000000 0.263550 0.500000 O\n0.263550 0.000000 0.500000 O\n0.736450 0.736450 0.500000 O\n0.000000 0.815406 0.000000 O\n0.815406 0.000000 0.000000 O\n0.184594 0.184594 0.000000 O\n",
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{
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"formula_reduced": "Ba3Ti20O40",
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},
{
"id": "mp-1228461",
"created_at": "2022-09-04T14:40:14.171230Z",
"structure_string": "Ba3 Ti1 Mo1 O8\n1.0\n-3.024393 -5.238403 0.000000\n3.024393 -5.238403 0.000000\n3.024393 1.746134 7.205785\nBa Ti Mo O\n3 1 1 8\ndirect\n0.977618 0.011191 0.966427 Ba\n0.603350 0.198325 0.405025 Ba\n0.412078 0.793961 0.618117 Ba\n0.188323 0.405839 0.782484 Ti\n0.816853 0.591574 0.225279 Mo\n0.456969 0.271515 0.692111 O\n0.963626 0.271515 0.692111 O\n0.963626 0.764858 0.692111 O\n0.543407 0.728297 0.304480 O\n0.032777 0.728297 0.304480 O\n0.032777 0.238926 0.304480 O\n0.356559 0.321721 0.034838 O\n0.652038 0.673981 0.978056 O\n",
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"elements": [
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],
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"updated_at": "2021-11-28T01:34:51.521000Z",
"spacegroup": 160
},
{
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"created_at": "2022-09-04T14:42:44.782908Z",
"structure_string": "Ba3 Ti1 F12\n1.0\n-0.266233 -0.461128 -6.821601\n-4.696841 -8.135168 -0.390400\n-3.320840 7.340733 0.195200\nBa Ti F\n3 1 12\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ti\n0.852276 0.331215 0.632502 F\n0.147724 0.668785 0.367498 F\n0.817623 0.972699 0.182479 F\n0.147724 0.301287 0.632502 F\n0.182377 0.027301 0.817521 F\n0.852276 0.698713 0.367498 F\n0.175555 0.777342 0.819757 F\n0.182377 0.209779 0.182479 F\n0.824445 0.222658 0.180243 F\n0.817623 0.790221 0.817521 F\n0.824445 0.042415 0.819757 F\n0.175555 0.957585 0.180243 F\n",
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"updated_at": "2021-11-28T01:35:55.508000Z",
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}
]
}