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{
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"structure_string": "Ba12 Pr3 Ru9 O36\n1.0\n5.990323 -0.001581 0.090005\n2.989506 5.191033 0.090005\n0.036448 0.021064 30.024316\nBa Pr Ru O\n12 3 9 36\ndirect\n0.997548 0.997548 0.718101 Ba\n0.002452 0.002452 0.281899 Ba\n0.002551 0.002551 0.132215 Ba\n0.997449 0.997449 0.867785 Ba\n0.336637 0.336637 0.614620 Ba\n0.663363 0.663363 0.385380 Ba\n0.335050 0.335050 0.203541 Ba\n0.666110 0.666110 0.535664 Ba\n0.331633 0.331633 0.051685 Ba\n0.333890 0.333890 0.464336 Ba\n0.668367 0.668367 0.948315 Ba\n0.664950 0.664950 0.796459 Ba\n0.332987 0.332987 0.333447 Pr\n0.667013 0.667013 0.666553 Pr\n0.000000 0.000000 0.000000 Pr\n0.663146 0.663146 0.081626 Ru\n0.332686 0.332686 0.833404 Ru\n0.993529 0.993529 0.415061 Ru\n0.667314 0.667314 0.166596 Ru\n0.006471 0.006471 0.584939 Ru\n0.000000 0.000000 0.500000 Ru\n0.336854 0.336854 0.918374 Ru\n0.671099 0.671099 0.251529 Ru\n0.328901 0.328901 0.748471 Ru\n0.158323 0.158323 0.538498 O\n0.509745 0.976058 0.123968 O\n0.859419 0.859419 0.625507 O\n0.490255 0.023942 0.876032 O\n0.177042 0.177042 0.794057 O\n0.013997 0.480356 0.714565 O\n0.519644 0.986003 0.285435 O\n0.650338 0.186444 0.952577 O\n0.642113 0.175182 0.790641 O\n0.479334 0.479334 0.709556 O\n0.175182 0.642113 0.790641 O\n0.812816 0.812816 0.042695 O\n0.321983 0.857900 0.618397 O\n0.824818 0.357887 0.209359 O\n0.520666 0.520666 0.290444 O\n0.692053 0.158133 0.542940 O\n0.841867 0.307947 0.457060 O\n0.986003 0.519644 0.285435 O\n0.142100 0.678017 0.381603 O\n0.187184 0.187184 0.957305 O\n0.023942 0.490255 0.876032 O\n0.976058 0.509745 0.123968 O\n0.511289 0.511289 0.127602 O\n0.349662 0.813556 0.047423 O\n0.357887 0.824818 0.209359 O\n0.158133 0.692053 0.542940 O\n0.857900 0.321983 0.618397 O\n0.140581 0.140581 0.374493 O\n0.480356 0.013997 0.714565 O\n0.186444 0.650338 0.952577 O\n0.822958 0.822958 0.205943 O\n0.813556 0.349662 0.047423 O\n0.488711 0.488711 0.872398 O\n0.678017 0.142100 0.381603 O\n0.841677 0.841677 0.461502 O\n0.307947 0.841867 0.457060 O\n",
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"formula_full": "Ba12 Pr3 Ru9 O36",
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"updated_at": "2021-11-28T01:36:32.096000Z",
"spacegroup": 12
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{
"id": "mp-12912",
"created_at": "2022-09-04T14:40:00.358207Z",
"structure_string": "Ba2 Pr1 Ru1 O6\n1.0\n0.000000 4.315660 4.315660\n4.315660 0.000000 4.315660\n4.315660 4.315660 0.000000\nBa Pr Ru O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ru\n0.729478 0.729478 0.270523 O\n0.729477 0.270522 0.729478 O\n0.270522 0.729478 0.270523 O\n0.729478 0.270522 0.270522 O\n0.270522 0.270522 0.729478 O\n0.270522 0.729478 0.729478 O\n",
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"elements": [
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"volume": 160.75765515925903,
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"formula_full": "Ba2 Pr1 Ru1 O6",
"formula_reduced": "Ba2PrRuO6",
"formula_anonymous": "ABC2D6",
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},
{
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"structure_string": "Ba2 Pr1 Pt1 O6\n1.0\n0.000000 4.319988 4.319988\n4.319988 0.000000 4.319988\n4.319988 4.319988 0.000000\nBa Pr Pt O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pt\n0.768209 0.768209 0.231791 O\n0.768209 0.231791 0.768209 O\n0.231791 0.768209 0.231791 O\n0.768209 0.231791 0.231791 O\n0.231791 0.231791 0.768209 O\n0.231791 0.768209 0.768209 O\n",
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{
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"created_at": "2022-09-04T14:48:10.609806Z",
"structure_string": "Rb4 Ba4 P4 O16\n1.0\n5.805881 0.000000 0.000000\n0.000000 7.949876 0.000000\n0.000000 0.000000 10.262227\nRb Ba P O\n4 4 4 16\ndirect\n0.750000 0.656297 0.084267 Rb\n0.250000 0.843703 0.584267 Rb\n0.250000 0.343703 0.915733 Rb\n0.750000 0.156297 0.415733 Rb\n0.250000 0.000755 0.191708 Ba\n0.250000 0.500755 0.308292 Ba\n0.750000 0.499245 0.691708 Ba\n0.750000 0.999245 0.808292 Ba\n0.250000 0.270269 0.585824 P\n0.750000 0.729731 0.414176 P\n0.250000 0.770269 0.914176 P\n0.750000 0.229731 0.085824 P\n0.528939 0.791022 0.341523 O\n0.028939 0.208978 0.658477 O\n0.971061 0.291022 0.158477 O\n0.471061 0.708978 0.841523 O\n0.471061 0.208978 0.658477 O\n0.971061 0.791022 0.341523 O\n0.028939 0.708978 0.841523 O\n0.528939 0.291022 0.158477 O\n0.250000 0.466708 0.581482 O\n0.750000 0.533292 0.418518 O\n0.250000 0.966708 0.918518 O\n0.750000 0.033292 0.081482 O\n0.750000 0.300313 0.943141 O\n0.250000 0.699687 0.056859 O\n0.750000 0.800313 0.556859 O\n0.250000 0.199687 0.443141 O\n",
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{
"id": "mp-6910",
"created_at": "2022-09-04T14:43:38.629103Z",
"structure_string": "Ba2 Pr2 O6\n1.0\n5.527062 -3.246275 0.000000\n5.527062 3.246275 0.000000\n3.620389 0.000000 5.289565\nBa Pr O\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.163088 0.750000 0.336912 O\n0.336912 0.163088 0.750000 O\n0.750000 0.336912 0.163088 O\n0.836912 0.250000 0.663088 O\n0.250000 0.663088 0.836912 O\n0.663088 0.836912 0.250000 O\n",
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{
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{
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{
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{
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"created_at": "2022-09-04T14:45:09.928355Z",
"structure_string": "Ba4 Pr8 O16\n1.0\n3.665446 0.000000 0.000000\n0.000000 10.791256 0.000000\n0.000000 0.000000 12.686734\nBa Pr O\n4 8 16\ndirect\n0.750000 0.748750 0.853312 Ba\n0.250000 0.251250 0.146688 Ba\n0.750000 0.248750 0.646688 Ba\n0.250000 0.751250 0.353312 Ba\n0.250000 0.419818 0.388703 Pr\n0.750000 0.580182 0.611297 Pr\n0.250000 0.919818 0.111297 Pr\n0.750000 0.080182 0.888703 Pr\n0.750000 0.075362 0.387148 Pr\n0.250000 0.924638 0.612852 Pr\n0.750000 0.575362 0.112852 Pr\n0.250000 0.424638 0.887148 Pr\n0.250000 0.428964 0.576691 O\n0.750000 0.571036 0.423309 O\n0.250000 0.928964 0.923309 O\n0.750000 0.071036 0.076691 O\n0.250000 0.514115 0.217151 O\n0.750000 0.485885 0.782849 O\n0.250000 0.014115 0.282849 O\n0.750000 0.985885 0.717151 O\n0.250000 0.123116 0.518638 O\n0.750000 0.876884 0.481362 O\n0.250000 0.623116 0.981362 O\n0.750000 0.376884 0.018638 O\n0.750000 0.288014 0.328482 O\n0.250000 0.711986 0.671518 O\n0.750000 0.788014 0.171518 O\n0.250000 0.211986 0.828482 O\n",
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{
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{
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}