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{
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{
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{
"id": "mp-12010",
"created_at": "2022-09-04T14:48:13.530683Z",
"structure_string": "Ba4 Se4 O16\n1.0\n5.825942 0.000000 0.000000\n0.000000 7.510581 0.000000\n0.000000 0.000000 9.184055\nBa Se O\n4 4 16\ndirect\n0.250000 0.342388 0.682925 Ba\n0.750000 0.657612 0.317075 Ba\n0.750000 0.842388 0.817075 Ba\n0.250000 0.157612 0.182925 Ba\n0.250000 0.816063 0.562617 Se\n0.750000 0.183937 0.437383 Se\n0.750000 0.316063 0.937383 Se\n0.250000 0.683937 0.062617 Se\n0.516741 0.314799 0.420027 O\n0.016741 0.685201 0.579973 O\n0.483259 0.814799 0.079973 O\n0.983259 0.185201 0.920027 O\n0.483259 0.685201 0.579973 O\n0.983259 0.314799 0.420027 O\n0.516741 0.185201 0.920027 O\n0.016741 0.814799 0.079973 O\n0.250000 0.592580 0.897795 O\n0.750000 0.407420 0.102205 O\n0.750000 0.092580 0.602205 O\n0.250000 0.907420 0.397795 O\n0.250000 0.535530 0.198266 O\n0.750000 0.464470 0.801734 O\n0.750000 0.035530 0.301734 O\n0.250000 0.964470 0.698266 O\n",
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"formula_full": "Ba4 Se4 O16",
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{
"id": "mp-1214840",
"created_at": "2022-09-04T14:43:00.015345Z",
"structure_string": "Ba8 Sc4 V12 O44\n1.0\n0.000000 -7.745338 0.000000\n-11.857664 0.000000 2.895291\n-0.052549 0.000000 -11.500537\nBa Sc V O\n8 4 12 44\ndirect\n0.269856 0.774576 0.943772 Ba\n0.730144 0.225424 0.056228 Ba\n0.769856 0.225424 0.556228 Ba\n0.230144 0.774576 0.443772 Ba\n0.748125 0.556520 0.890011 Ba\n0.251875 0.443480 0.109989 Ba\n0.248125 0.443480 0.609989 Ba\n0.751875 0.556520 0.390011 Ba\n0.493828 0.998330 0.757265 Sc\n0.506172 0.001670 0.242735 Sc\n0.993828 0.001670 0.742735 Sc\n0.006172 0.998330 0.257265 Sc\n0.752510 0.905475 0.974520 V\n0.247490 0.094525 0.025480 V\n0.252510 0.094525 0.525480 V\n0.747490 0.905475 0.474520 V\n0.519437 0.687902 0.673644 V\n0.480563 0.312098 0.326356 V\n0.019437 0.312098 0.826356 V\n0.980563 0.687902 0.173644 V\n0.981022 0.691147 0.672471 V\n0.018978 0.308853 0.327529 V\n0.481022 0.308853 0.827529 V\n0.518978 0.691147 0.172471 V\n0.449004 0.827066 0.716442 O\n0.550996 0.172934 0.283558 O\n0.949004 0.172934 0.783558 O\n0.050996 0.827066 0.216442 O\n0.545292 0.168592 0.800717 O\n0.454708 0.831408 0.199283 O\n0.045292 0.831408 0.699283 O\n0.954708 0.168592 0.300717 O\n0.750390 0.665915 0.667182 O\n0.249610 0.334085 0.332818 O\n0.250390 0.334085 0.832818 O\n0.749610 0.665915 0.167182 O\n0.943401 0.373782 0.964377 O\n0.056599 0.626218 0.035623 O\n0.443401 0.626218 0.535623 O\n0.556599 0.373782 0.464377 O\n0.939110 0.388920 0.731931 O\n0.060890 0.611080 0.268069 O\n0.439110 0.611080 0.768069 O\n0.560890 0.388920 0.231931 O\n0.798005 0.988181 0.622310 O\n0.201995 0.011819 0.377690 O\n0.298005 0.011819 0.877690 O\n0.701995 0.988181 0.122310 O\n0.965074 0.877282 0.971435 O\n0.034926 0.122718 0.028565 O\n0.465074 0.122718 0.528565 O\n0.534926 0.877282 0.471435 O\n0.636565 0.783956 0.945541 O\n0.363435 0.216044 0.054459 O\n0.136565 0.216044 0.554459 O\n0.863435 0.783956 0.445541 O\n0.709613 0.984120 0.862327 O\n0.290387 0.015880 0.137673 O\n0.209613 0.015880 0.637673 O\n0.790387 0.984120 0.362327 O\n0.560195 0.369006 0.719908 O\n0.439805 0.630994 0.280092 O\n0.060195 0.630994 0.780092 O\n0.939805 0.369006 0.219908 O\n0.564789 0.384024 0.959435 O\n0.435211 0.615976 0.040565 O\n0.064789 0.615976 0.540565 O\n0.935211 0.384024 0.459435 O\n",
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"formula_full": "Ba8 Sc4 V12 O44",
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"spacegroup": 14
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{
"id": "mp-1206763",
"created_at": "2022-09-04T14:40:17.494715Z",
"structure_string": "Ba2 Sc1 U1 O6\n1.0\n0.000000 4.285795 4.285795\n4.285795 0.000000 4.285795\n4.285795 4.285795 0.000000\nBa Sc U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 U\n0.748472 0.251528 0.251528 O\n0.251528 0.748472 0.748472 O\n0.251528 0.748472 0.251528 O\n0.748472 0.251528 0.748472 O\n0.251528 0.251528 0.748472 O\n0.748472 0.748472 0.251528 O\n",
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{
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"structure_string": "Ba2 Sc1 Ta1 O6\n1.0\n0.000000 4.157430 4.157430\n4.157430 0.000000 4.157430\n4.157430 4.157430 0.000000\nBa Sc Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ta\n0.757434 0.242566 0.242566 O\n0.242566 0.757434 0.757434 O\n0.242566 0.757434 0.242566 O\n0.757434 0.242566 0.757434 O\n0.242566 0.242566 0.757434 O\n0.757434 0.757434 0.242566 O\n",
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{
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"structure_string": "Ba4 Sm8 Sc8 O28\n1.0\n5.838418 0.000000 0.000000\n0.000000 5.838418 0.000000\n0.000000 0.000000 20.236140\nBa Sm Sc O\n4 8 8 28\ndirect\n0.237746 0.762254 0.500000 Ba\n0.762254 0.237746 0.500000 Ba\n0.262253 0.262254 0.000000 Ba\n0.737746 0.737746 0.000000 Ba\n0.219438 0.780562 0.314905 Sm\n0.780562 0.219438 0.314905 Sm\n0.280562 0.280562 0.814905 Sm\n0.719438 0.719438 0.814905 Sm\n0.780562 0.219438 0.685095 Sm\n0.219438 0.780562 0.685095 Sm\n0.719438 0.719438 0.185095 Sm\n0.280562 0.280562 0.185095 Sm\n0.240098 0.759902 0.103436 Sc\n0.759902 0.240098 0.103436 Sc\n0.259902 0.259902 0.603436 Sc\n0.740098 0.740098 0.603436 Sc\n0.759902 0.240098 0.896564 Sc\n0.240098 0.759902 0.896564 Sc\n0.740098 0.740098 0.396564 Sc\n0.259902 0.259902 0.396564 Sc\n0.287125 0.287125 0.500000 O\n0.712875 0.712875 0.500000 O\n0.212875 0.787125 0.000000 O\n0.787125 0.212875 0.000000 O\n0.318681 0.681319 0.211617 O\n0.681319 0.318681 0.211617 O\n0.181319 0.181319 0.711617 O\n0.818681 0.818681 0.711617 O\n0.681319 0.318681 0.788383 O\n0.318681 0.681319 0.788383 O\n0.818681 0.818681 0.288383 O\n0.181319 0.181319 0.288383 O\n0.000000 0.500000 0.383821 O\n0.500000 0.000000 0.883821 O\n0.000000 0.500000 0.616179 O\n0.500000 0.000000 0.116179 O\n0.500000 0.000000 0.383821 O\n0.000000 0.500000 0.883821 O\n0.500000 0.000000 0.616179 O\n0.000000 0.500000 0.116179 O\n0.500000 0.500000 0.367862 O\n0.000000 0.000000 0.867862 O\n0.500000 0.500000 0.632138 O\n0.000000 0.000000 0.132138 O\n0.500000 0.500000 0.095156 O\n0.000000 0.000000 0.595156 O\n0.500000 0.500000 0.904844 O\n0.000000 0.000000 0.404844 O\n",
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{
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{
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