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{
"id": "mp-755403",
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"structure_string": "Ba4 Sc4 O10\n1.0\n4.318224 4.598665 0.000000\n-4.318224 4.598665 0.000000\n0.000000 0.180865 8.425398\nBa Sc O\n4 4 10\ndirect\n0.734439 0.804208 0.305971 Ba\n0.804208 0.734439 0.805971 Ba\n0.195792 0.265561 0.194029 Ba\n0.265561 0.195792 0.694029 Ba\n0.756821 0.301135 0.478322 Sc\n0.301135 0.756821 0.978322 Sc\n0.698865 0.243179 0.021678 Sc\n0.243179 0.698865 0.521678 Sc\n0.500000 0.000000 0.000000 O\n0.261857 0.966824 0.411551 O\n0.966824 0.261857 0.911551 O\n0.777528 0.222472 0.250000 O\n0.500000 0.500000 0.500000 O\n0.222472 0.777528 0.750000 O\n0.500000 0.500000 0.000000 O\n0.033176 0.738143 0.088449 O\n0.738143 0.033176 0.588449 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
"id": "mp-770836",
"created_at": "2022-09-04T14:42:42.434997Z",
"structure_string": "Ba10 Sc12 O28\n1.0\n6.232598 -6.481854 0.000000\n6.232598 6.481854 0.000000\n0.000000 0.000000 11.796971\nBa Sc O\n10 12 28\ndirect\n0.953897 0.270275 0.253090 Ba\n0.729725 0.046103 0.753090 Ba\n0.961051 0.679767 0.197860 Ba\n0.320233 0.038949 0.697860 Ba\n0.521220 0.521220 0.239019 Ba\n0.478780 0.478780 0.739019 Ba\n0.679767 0.961051 0.197860 Ba\n0.038949 0.320233 0.697860 Ba\n0.046103 0.729725 0.753090 Ba\n0.270275 0.953897 0.253090 Ba\n0.841276 0.355550 0.974365 Sc\n0.644450 0.158724 0.474365 Sc\n0.789121 0.504488 0.508063 Sc\n0.495512 0.210879 0.008063 Sc\n0.701015 0.701015 0.938934 Sc\n0.003595 0.003595 0.967157 Sc\n0.298985 0.298985 0.438934 Sc\n0.996405 0.996405 0.467157 Sc\n0.504488 0.789121 0.508063 Sc\n0.210879 0.495512 0.008063 Sc\n0.355550 0.841276 0.974365 Sc\n0.158724 0.644450 0.474365 Sc\n0.809673 0.065316 0.389804 O\n0.934684 0.190327 0.889804 O\n0.748291 0.301246 0.581224 O\n0.698754 0.251709 0.081224 O\n0.440506 0.006281 0.072414 O\n0.993719 0.559494 0.572414 O\n0.804269 0.490456 0.342216 O\n0.509544 0.195731 0.842216 O\n0.491302 0.238599 0.370733 O\n0.761401 0.508698 0.870733 O\n0.857216 0.857216 0.894879 O\n0.369241 0.369241 0.066997 O\n0.696812 0.696812 0.104568 O\n0.142784 0.142784 0.394879 O\n0.009499 0.009499 0.633032 O\n0.303188 0.303188 0.604568 O\n0.990501 0.990501 0.133032 O\n0.630759 0.630759 0.566997 O\n0.238599 0.491302 0.370733 O\n0.508698 0.761401 0.870733 O\n0.195731 0.509544 0.842216 O\n0.490456 0.804269 0.342216 O\n0.559494 0.993719 0.572414 O\n0.006281 0.440506 0.072414 O\n0.251709 0.698754 0.081224 O\n0.301246 0.748291 0.581224 O\n0.065316 0.809673 0.389804 O\n0.190327 0.934684 0.889804 O\n",
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"formula_full": "Ba10 Sc12 O28",
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{
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"structure_string": "Ba6 Sc12 O24\n1.0\n2.938670 4.963328 0.000000\n-2.938670 4.963328 0.000000\n0.000000 0.013130 20.740125\nBa Sc O\n6 12 24\ndirect\n0.942266 0.726576 0.137617 Ba\n0.273424 0.057734 0.362383 Ba\n0.057734 0.273424 0.862383 Ba\n0.726576 0.942266 0.637617 Ba\n0.607382 0.392618 0.250000 Ba\n0.392618 0.607382 0.750000 Ba\n0.958176 0.715845 0.447304 Sc\n0.284155 0.041824 0.052696 Sc\n0.041824 0.284155 0.552696 Sc\n0.715845 0.958176 0.947304 Sc\n0.616597 0.386965 0.070596 Sc\n0.613035 0.383403 0.429404 Sc\n0.383403 0.613035 0.929404 Sc\n0.386965 0.616597 0.570596 Sc\n0.939720 0.723311 0.304696 Sc\n0.276689 0.060280 0.195304 Sc\n0.060280 0.276689 0.695304 Sc\n0.723311 0.939720 0.804696 Sc\n0.817411 0.522222 0.375371 O\n0.477778 0.182589 0.124629 O\n0.182589 0.477778 0.624629 O\n0.522222 0.817411 0.875371 O\n0.073151 0.926849 0.250000 O\n0.926849 0.073151 0.750000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.130298 0.396888 0.248537 O\n0.603112 0.869702 0.251463 O\n0.869702 0.603112 0.751463 O\n0.396888 0.130298 0.748537 O\n0.270438 0.594261 0.376396 O\n0.405739 0.729562 0.123604 O\n0.729562 0.405739 0.623604 O\n0.594261 0.270438 0.876396 O\n0.292638 0.402544 0.496653 O\n0.597456 0.707362 0.003347 O\n0.250142 0.964117 0.618939 O\n0.035883 0.749858 0.881061 O\n0.749858 0.035883 0.381061 O\n0.964117 0.250142 0.118939 O\n0.402544 0.292638 0.996653 O\n0.707362 0.597456 0.503347 O\n",
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{
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"created_at": "2022-09-04T14:40:28.177848Z",
"structure_string": "Ba8 Zr3 Sb4 O24\n1.0\n-4.196151 4.196151 8.437063\n4.196151 -4.196151 8.437063\n4.196151 4.196151 -8.437063\nBa Zr Sb O\n8 3 4 24\ndirect\n0.351641 0.351641 0.466887 Ba\n0.351641 0.884755 0.000000 Ba\n0.648359 0.115245 0.000000 Ba\n0.648359 0.648359 0.533113 Ba\n0.884755 0.884755 0.533113 Ba\n0.115245 0.648359 0.000000 Ba\n0.115245 0.115245 0.466887 Ba\n0.884755 0.351641 0.000000 Ba\n0.250000 0.750000 0.500000 Zr\n0.750000 0.250000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.256391 0.256391 0.000000 Sb\n0.743609 0.743609 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n0.752373 0.500000 0.252373 O\n0.000000 0.729403 0.729403 O\n0.500000 0.752373 0.252373 O\n0.500000 0.247627 0.747627 O\n0.376113 0.876113 0.500000 O\n0.729403 0.000000 0.729403 O\n0.000000 0.270597 0.270597 O\n0.254599 0.500517 0.245918 O\n0.247627 0.500000 0.747627 O\n0.141024 0.141024 0.000000 O\n0.270597 0.000000 0.270597 O\n0.991319 0.745401 0.245918 O\n0.499483 0.745401 0.754082 O\n0.625883 0.625883 0.000000 O\n0.008681 0.254599 0.754082 O\n0.858976 0.858976 0.000000 O\n0.745401 0.991319 0.245918 O\n0.500517 0.254599 0.245918 O\n0.374117 0.374117 0.000000 O\n0.254599 0.008681 0.754082 O\n0.745401 0.499483 0.754082 O\n0.123887 0.623887 0.500000 O\n0.623887 0.123887 0.500000 O\n0.876113 0.376113 0.500000 O\n",
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{
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{
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{
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