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{
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{
"id": "mp-18751",
"created_at": "2022-09-04T14:42:50.950567Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n-5.803591 -0.006313 -0.000048\n0.006313 5.803589 0.000051\n2.898600 -2.898679 -4.698291\nMn Zn O\n4 2 8\ndirect\n0.374999 0.625000 0.250000 Mn\n0.375000 0.124999 0.750000 Mn\n0.875001 0.625001 0.250001 Mn\n0.375000 0.625000 0.750000 Mn\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.141318 0.868652 0.737050 O\n0.595732 0.868401 0.737050 O\n0.154268 0.381599 0.762950 O\n0.608682 0.381348 0.762950 O\n0.131603 0.404268 0.262950 O\n0.131352 0.858682 0.262950 O\n0.618648 0.391318 0.237050 O\n0.618397 0.845732 0.237050 O\n",
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{
"id": "mp-1199624",
"created_at": "2022-09-04T14:42:52.580682Z",
"structure_string": "Ba16 Na8 Nb40 O120\n1.0\n-0.000000 0.000000 -8.198163\n0.000000 -17.890523 0.000000\n-17.829529 0.000000 4.099082\nBa Na Nb O\n16 8 40 120\ndirect\n0.624651 0.076382 0.755951 Ba\n0.868699 0.923618 0.244049 Ba\n0.624651 0.423618 0.755951 Ba\n0.868699 0.576382 0.244049 Ba\n0.118934 0.081863 0.738684 Ba\n0.380250 0.918137 0.261316 Ba\n0.118934 0.418137 0.738684 Ba\n0.380250 0.581863 0.261316 Ba\n0.791416 0.250000 0.078360 Ba\n0.713056 0.750000 0.921640 Ba\n0.286122 0.250000 0.078042 Ba\n0.208079 0.750000 0.921958 Ba\n0.038893 0.750000 0.576315 Ba\n0.462579 0.250000 0.423685 Ba\n0.538602 0.750000 0.580189 Ba\n0.958413 0.250000 0.419811 Ba\n0.746987 0.000000 1.000000 Na\n0.746987 0.500000 1.000000 Na\n0.241118 0.000000 1.000000 Na\n0.241118 0.500000 1.000000 Na\n0.997261 0.499074 0.499626 Na\n0.497635 0.500926 0.500374 Na\n0.997261 0.000926 0.499626 Na\n0.497635 0.999074 0.500374 Na\n0.865333 0.250000 0.751574 Nb\n0.113759 0.750000 0.248426 Nb\n0.366429 0.250000 0.748940 Nb\n0.617489 0.750000 0.251060 Nb\n0.867491 0.750000 0.749541 Nb\n0.117950 0.250000 0.250459 Nb\n0.367870 0.750000 0.750621 Nb\n0.617248 0.250000 0.249379 Nb\n0.960103 0.141100 0.930399 Nb\n0.029704 0.858900 0.069601 Nb\n0.960103 0.358900 0.930399 Nb\n0.029704 0.641100 0.069601 Nb\n0.460765 0.141638 0.933816 Nb\n0.526950 0.858362 0.066184 Nb\n0.460765 0.358362 0.933816 Nb\n0.526950 0.641638 0.066184 Nb\n0.209994 0.641527 0.434277 Nb\n0.775717 0.358473 0.565723 Nb\n0.209994 0.858473 0.434277 Nb\n0.775717 0.141527 0.565723 Nb\n0.709899 0.641656 0.431444 Nb\n0.278456 0.358344 0.568556 Nb\n0.709899 0.858344 0.431444 Nb\n0.278456 0.141656 0.568556 Nb\n0.065155 0.065726 0.141557 Nb\n0.923598 0.934274 0.858443 Nb\n0.065155 0.434274 0.141557 Nb\n0.923598 0.565726 0.858443 Nb\n0.562899 0.068789 0.140284 Nb\n0.422615 0.931211 0.859716 Nb\n0.562899 0.431211 0.140284 Nb\n0.422615 0.568789 0.859716 Nb\n0.316362 0.567239 0.640911 Nb\n0.675451 0.432761 0.359089 Nb\n0.316362 0.932761 0.640911 Nb\n0.675451 0.067239 0.359089 Nb\n0.814303 0.567700 0.643135 Nb\n0.171168 0.432300 0.356865 Nb\n0.814303 0.932300 0.643135 Nb\n0.171168 0.067700 0.356865 Nb\n0.957864 0.168803 0.824184 O\n0.133680 0.831197 0.175816 O\n0.957864 0.331197 0.824184 O\n0.133680 0.668803 0.175816 O\n0.407257 0.167528 0.824041 O\n0.583216 0.832472 0.175959 O\n0.407257 0.332472 0.824041 O\n0.583216 0.667528 0.175959 O\n0.157028 0.668736 0.325312 O\n0.831716 0.331264 0.674688 O\n0.157028 0.831264 0.325312 O\n0.831716 0.168736 0.674688 O\n0.707918 0.669509 0.325510 O\n0.382408 0.330491 0.674490 O\n0.707918 0.830491 0.325510 O\n0.382408 0.169509 0.674490 O\n0.987429 0.250000 0.965775 O\n0.021654 0.750000 0.034225 O\n0.512981 0.250000 0.963640 O\n0.549341 0.750000 0.036360 O\n0.256097 0.750000 0.466846 O\n0.789251 0.250000 0.533154 O\n0.738820 0.750000 0.467526 O\n0.271294 0.250000 0.532474 O\n0.908554 0.966638 0.750547 O\n0.158007 0.033362 0.249453 O\n0.908554 0.533362 0.750547 O\n0.158007 0.466638 0.249453 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O\n0.994030 0.858384 0.450422 O\n0.543608 0.141616 0.549578 O\n0.696470 0.948011 0.852857 O\n0.843613 0.051989 0.147143 O\n0.696470 0.551989 0.852857 O\n0.843613 0.448011 0.147143 O\n0.942012 0.432852 0.347057 O\n0.594955 0.567148 0.652943 O\n0.942012 0.067148 0.347057 O\n0.594955 0.932852 0.652943 O\n0.204806 0.920280 0.870428 O\n0.334379 0.079720 0.129573 O\n0.204806 0.579720 0.870428 O\n0.334379 0.420280 0.129573 O\n0.455836 0.437928 0.370534 O\n0.085303 0.562072 0.629466 O\n0.455836 0.062072 0.370534 O\n0.085303 0.937928 0.629466 O\n0.650175 0.250000 0.766103 O\n0.884072 0.750000 0.233897 O\n0.135622 0.250000 0.734399 O\n0.401224 0.750000 0.265601 O\n0.898040 0.250000 0.260032 O\n0.638008 0.750000 0.739968 O\n0.387435 0.250000 0.240431 O\n0.147004 0.750000 0.759569 O\n",
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"formula_full": "Ba16 Na8 Nb40 O120",
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"energy": -1613.80908377,
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"spacegroup": 40
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{
"id": "mp-1176417",
"created_at": "2022-09-04T14:42:51.462624Z",
"structure_string": "Mn4 Te4 O12\n1.0\n5.502735 -0.000006 0.000019\n-0.000006 6.208070 -0.000002\n0.000027 -0.000003 7.879377\nMn Te O\n4 4 12\ndirect\n0.000490 0.500062 0.499929 Mn\n0.500177 0.000138 0.999634 Mn\n0.000234 0.500321 0.000276 Mn\n0.499817 0.000108 0.500347 Mn\n0.013666 0.990924 0.750005 Te\n0.486358 0.490925 0.750000 Te\n0.513719 0.508982 0.250002 Te\n0.986304 0.008981 0.250003 Te\n0.173592 0.436115 0.249994 O\n0.326307 0.936120 0.249977 O\n0.673584 0.063801 0.749976 O\n0.826318 0.563799 0.749996 O\n0.139913 0.176652 0.571536 O\n0.139878 0.176680 0.928424 O\n0.359966 0.676679 0.571542 O\n0.359963 0.676682 0.928428 O\n0.639915 0.323279 0.071516 O\n0.639882 0.323253 0.428452 O\n0.859962 0.823251 0.071515 O\n0.859956 0.823249 0.428448 O\n",
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{
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"structure_string": "Si6 N8\n1.0\n3.103075 -5.374683 0.000000\n3.103075 5.374683 0.000000\n0.000000 0.000000 3.976912\nSi N\n6 8\ndirect\n0.170822 0.829178 0.250000 Si\n0.170822 0.341643 0.250000 Si\n0.658357 0.829178 0.250000 Si\n0.341643 0.170822 0.750000 Si\n0.829178 0.658357 0.750000 Si\n0.829178 0.170822 0.750000 Si\n0.157025 0.842975 0.750000 N\n0.333333 0.666667 0.250000 N\n0.157025 0.314050 0.750000 N\n0.685950 0.842975 0.750000 N\n0.314050 0.157025 0.250000 N\n0.842975 0.685950 0.250000 N\n0.666667 0.333333 0.750000 N\n0.842975 0.157025 0.250000 N\n",
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{
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"formula_full": "Cs6 Au2 O2",
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"spacegroup": 194
},
{
"id": "mp-1519864",
"created_at": "2022-09-04T14:42:48.916827Z",
"structure_string": "Ba1 Sr1 In1 Sb1 O6\n1.0\n0.000000 -4.161722 -4.161722\n4.161722 0.000000 -4.161722\n4.161722 -4.161722 -0.000000\nBa Sr In Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 -0.000000 In\n0.500000 0.500000 0.500000 Sb\n0.740558 0.259442 0.259442 O\n0.259442 0.740558 0.740558 O\n0.740558 0.259442 0.740558 O\n0.259442 0.740558 0.259442 O\n0.740558 0.740558 0.259442 O\n0.259442 0.259442 0.740558 O\n",
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"formula_full": "Ba1 Sr1 In1 Sb1 O6",
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"energy": -65.4600253,
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{
"id": "mp-765470",
"created_at": "2022-09-04T14:42:56.609959Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000054 0.000012 5.287629\n7.104609 -0.000083 0.000072\n-0.000097 8.246603 0.000019\nLi Mn P O\n4 4 4 16\ndirect\n0.217586 0.247267 0.553950 Li\n0.717587 0.252731 0.053956 Li\n0.217580 0.747276 0.946042 Li\n0.717587 0.752742 0.446048 Li\n0.236355 0.523335 0.256646 Mn\n0.736372 0.476642 0.743338 Mn\n0.736209 0.976684 0.756643 Mn\n0.236340 0.023283 0.243397 Mn\n0.723126 0.213693 0.406743 P\n0.223121 0.286289 0.906753 P\n0.723126 0.713713 0.093244 P\n0.223109 0.786307 0.593255 P\n0.687382 0.029792 0.502899 O\n0.187378 0.470216 0.002889 O\n0.687374 0.529795 0.997102 O\n0.187383 0.970216 0.497108 O\n0.451765 0.277444 0.347188 O\n0.951765 0.222531 0.847189 O\n0.451767 0.777474 0.152809 O\n0.951755 0.722564 0.652814 O\n0.890400 0.184983 0.252913 O\n0.390399 0.314978 0.752914 O\n0.890398 0.685028 0.247083 O\n0.390375 0.815007 0.747088 O\n0.854452 0.363618 0.514105 O\n0.354434 0.136380 0.014131 O\n0.854427 0.863624 0.985867 O\n0.354446 0.636389 0.485887 O\n",
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],
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"formula_full": "Li4 Mn4 P4 O16",
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},
{
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