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{
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"structure_string": "Ba2 Ti3 O8\n1.0\n3.948523 0.000000 0.000000\n0.000000 3.948523 0.000000\n0.000000 0.000000 11.944754\nBa Ti O\n2 3 8\ndirect\n0.500000 0.500000 0.180381 Ba\n0.500000 0.500000 0.819619 Ba\n0.000000 0.000000 0.333705 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.666295 Ti\n0.000000 0.500000 0.345524 O\n0.500000 0.000000 0.345524 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.173695 O\n0.000000 0.500000 0.654476 O\n0.500000 0.000000 0.654476 O\n0.000000 0.000000 0.826305 O\n0.000000 0.500000 0.000000 O\n",
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{
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{
"id": "mp-1048209",
"created_at": "2022-09-04T14:46:20.746415Z",
"structure_string": "Ba2 Ti3 O7\n1.0\n3.953998 -0.001485 -0.012300\n-0.001374 4.012928 0.006041\n-0.039036 0.017783 12.064093\nBa Ti O\n2 3 7\ndirect\n0.501280 0.492150 0.821750 Ba\n0.506601 0.489416 0.178560 Ba\n0.008306 0.976326 0.672643 Ti\n0.019466 0.970962 0.327744 Ti\n0.002728 0.991796 0.000167 Ti\n0.001671 0.492588 0.000157 O\n0.483145 0.013279 0.662870 O\n0.493979 0.008082 0.337493 O\n0.987579 0.521778 0.661403 O\n0.998211 0.516213 0.338918 O\n0.999685 0.995711 0.834107 O\n0.004273 0.993171 0.166205 O\n",
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"formula_full": "Ba2 Ti3 O7",
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"updated_at": "2021-11-28T01:37:29.084000Z",
"spacegroup": 6
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{
"id": "mp-15761",
"created_at": "2022-09-04T14:42:41.859489Z",
"structure_string": "Ba8 Ti24 O54\n1.0\n5.771926 10.026522 0.000000\n-5.771926 10.026522 0.000000\n0.000000 3.262509 9.491104\nBa Ti O\n8 24 54\ndirect\n0.204601 0.204601 0.873647 Ba\n0.795399 0.795399 0.126353 Ba\n0.076237 0.076237 0.288899 Ba\n0.923763 0.923763 0.711101 Ba\n0.209815 0.660548 0.215427 Ba\n0.339452 0.790185 0.784573 Ba\n0.790185 0.339452 0.784573 Ba\n0.660548 0.209815 0.215427 Ba\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.230237 0.769763 0.500000 Ti\n0.769763 0.230237 0.500000 Ti\n0.386676 0.386676 0.921689 Ti\n0.613324 0.613324 0.078311 Ti\n0.263529 0.263529 0.483300 Ti\n0.736471 0.736471 0.516700 Ti\n0.111113 0.111113 0.610589 Ti\n0.888887 0.888887 0.389411 Ti\n0.880380 0.363322 0.077843 Ti\n0.636678 0.119620 0.922157 Ti\n0.119620 0.636678 0.922157 Ti\n0.363322 0.880380 0.077843 Ti\n0.490930 0.770278 0.341465 Ti\n0.229722 0.509070 0.658535 Ti\n0.509070 0.229722 0.658535 Ti\n0.770278 0.490930 0.341465 Ti\n0.387396 0.120483 0.214376 Ti\n0.879517 0.612604 0.785624 Ti\n0.612604 0.879517 0.785624 Ti\n0.120483 0.387396 0.214376 Ti\n0.432848 0.432848 0.693854 O\n0.567152 0.567152 0.306146 O\n0.313712 0.313712 0.111016 O\n0.686288 0.686288 0.888984 O\n0.316280 0.316280 0.614971 O\n0.683720 0.683720 0.385029 O\n0.205365 0.205365 0.343903 O\n0.794635 0.794635 0.656097 O\n0.068745 0.068745 0.800437 O\n0.931255 0.931255 0.199563 O\n0.934996 0.185248 0.051728 O\n0.814752 0.065004 0.948272 O\n0.065004 0.814752 0.948272 O\n0.185248 0.934996 0.051728 O\n0.819535 0.312845 0.301476 O\n0.687155 0.180465 0.698524 O\n0.180465 0.687155 0.698524 O\n0.312845 0.819535 0.301476 O\n0.689649 0.433283 0.056811 O\n0.566717 0.310351 0.943189 O\n0.310351 0.566717 0.943189 O\n0.433283 0.689649 0.056811 O\n0.793192 0.550040 0.141878 O\n0.449960 0.206808 0.858122 O\n0.206808 0.449960 0.858122 O\n0.550040 0.793192 0.141878 O\n0.053195 0.322071 0.123749 O\n0.677929 0.946805 0.876251 O\n0.946805 0.677929 0.876251 O\n0.322071 0.053195 0.123749 O\n0.452348 0.944480 0.360682 O\n0.055520 0.547652 0.639318 O\n0.826253 0.063317 0.440400 O\n0.936683 0.173747 0.559600 O\n0.173747 0.936683 0.559600 O\n0.063317 0.826253 0.440400 O\n0.310644 0.571570 0.469133 O\n0.428430 0.689356 0.530867 O\n0.689356 0.428430 0.530867 O\n0.571570 0.310644 0.469133 O\n0.566714 0.076535 0.113022 O\n0.923465 0.433286 0.886978 O\n0.433286 0.923465 0.886978 O\n0.076535 0.566714 0.113022 O\n0.695170 0.923791 0.404236 O\n0.076209 0.304830 0.595764 O\n0.304830 0.076209 0.595764 O\n0.923791 0.695170 0.404236 O\n0.176608 0.440744 0.369367 O\n0.559256 0.823392 0.630633 O\n0.823392 0.559256 0.630633 O\n0.440744 0.176608 0.369367 O\n0.944480 0.452348 0.360682 O\n0.547652 0.055520 0.639318 O\n",
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"formula_full": "Ba8 Ti24 O54",
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"spacegroup": 12
},
{
"id": "mp-774530",
"created_at": "2022-09-04T14:44:02.197912Z",
"structure_string": "Ba8 Ti22 O52\n1.0\n3.932767 9.224744 0.000000\n-3.932767 9.224744 0.000000\n0.000000 6.836664 15.149868\nBa Ti O\n8 22 52\ndirect\n0.092795 0.611430 0.059558 Ba\n0.611430 0.092795 0.059558 Ba\n0.884543 0.884543 0.454746 Ba\n0.383971 0.383971 0.449484 Ba\n0.115457 0.115457 0.545254 Ba\n0.616029 0.616029 0.550516 Ba\n0.907205 0.388570 0.940442 Ba\n0.388570 0.907205 0.940442 Ba\n0.491421 0.491421 0.117817 Ti\n0.981500 0.981500 0.121457 Ti\n0.135734 0.135734 0.168117 Ti\n0.640415 0.640415 0.167551 Ti\n0.265150 0.265150 0.245422 Ti\n0.235342 0.735080 0.262008 Ti\n0.735080 0.235342 0.262008 Ti\n0.862676 0.377813 0.327051 Ti\n0.377813 0.862676 0.327051 Ti\n0.998284 0.525093 0.376861 Ti\n0.525093 0.998284 0.376861 Ti\n0.001716 0.474907 0.623139 Ti\n0.474907 0.001716 0.623139 Ti\n0.137324 0.622187 0.672949 Ti\n0.622187 0.137324 0.672949 Ti\n0.764658 0.264920 0.737992 Ti\n0.264920 0.764658 0.737992 Ti\n0.734850 0.734850 0.754578 Ti\n0.864266 0.864266 0.831883 Ti\n0.359585 0.359585 0.832449 Ti\n0.508579 0.508579 0.882183 Ti\n0.018500 0.018500 0.878543 Ti\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.605863 0.605863 0.074540 O\n0.118058 0.118058 0.070952 O\n0.244168 0.244168 0.133784 O\n0.741731 0.741731 0.105951 O\n0.879913 0.879913 0.158795 O\n0.371950 0.371950 0.170134 O\n0.243009 0.736323 0.138851 O\n0.736323 0.243009 0.138851 O\n0.865081 0.364618 0.200333 O\n0.364618 0.865081 0.200333 O\n0.004189 0.484255 0.268127 O\n0.484255 0.004189 0.268127 O\n0.495725 0.495725 0.243710 O\n0.001942 0.001942 0.238619 O\n0.134988 0.134988 0.300226 O\n0.626567 0.626567 0.299494 O\n0.263961 0.263961 0.366912 O\n0.760313 0.760313 0.384429 O\n0.123044 0.632511 0.330803 O\n0.632511 0.123044 0.330803 O\n0.252218 0.762595 0.366412 O\n0.762595 0.252218 0.366412 O\n0.881300 0.392564 0.428630 O\n0.392564 0.881300 0.428630 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.118700 0.607436 0.571370 O\n0.607436 0.118700 0.571370 O\n0.747782 0.237405 0.633588 O\n0.237405 0.747782 0.633588 O\n0.876956 0.367489 0.669197 O\n0.367489 0.876956 0.669197 O\n0.736039 0.736039 0.633088 O\n0.239687 0.239687 0.615571 O\n0.865012 0.865012 0.699774 O\n0.373433 0.373433 0.700506 O\n0.998058 0.998058 0.761381 O\n0.504275 0.504275 0.756290 O\n0.995811 0.515745 0.731873 O\n0.515745 0.995811 0.731873 O\n0.635382 0.134919 0.799667 O\n0.134919 0.635382 0.799667 O\n0.756991 0.263677 0.861149 O\n0.263677 0.756991 0.861149 O\n0.120087 0.120087 0.841205 O\n0.628050 0.628050 0.829866 O\n0.755832 0.755832 0.866216 O\n0.258269 0.258269 0.894049 O\n0.881942 0.881942 0.929048 O\n0.394137 0.394137 0.925460 O\n",
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{
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