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{
"id": "mp-561944",
"created_at": "2022-09-04T14:41:36.263666Z",
"structure_string": "Ba4 Ru24 O48\n1.0\n9.967000 0.000000 0.000000\n0.000000 9.967000 0.000000\n0.000000 0.000000 9.502003\nBa Ru O\n4 24 48\ndirect\n0.000000 0.500000 0.875017 Ba\n0.500000 0.000000 0.704710 Ba\n0.000000 0.500000 0.295290 Ba\n0.500000 0.000000 0.124983 Ba\n0.168586 0.854068 0.416971 Ru\n0.852779 0.833587 0.249129 Ru\n0.831392 0.153355 0.081202 Ru\n0.147221 0.166413 0.249129 Ru\n0.668586 0.354068 0.583029 Ru\n0.666413 0.352779 0.249129 Ru\n0.352779 0.333587 0.750871 Ru\n0.653355 0.668608 0.081202 Ru\n0.153355 0.168608 0.918798 Ru\n0.145932 0.168586 0.583029 Ru\n0.331392 0.653355 0.918798 Ru\n0.831414 0.145932 0.416971 Ru\n0.166413 0.852779 0.750871 Ru\n0.331414 0.645932 0.583029 Ru\n0.168608 0.846645 0.081202 Ru\n0.354068 0.331414 0.416971 Ru\n0.645932 0.668586 0.416971 Ru\n0.833587 0.147221 0.750871 Ru\n0.668608 0.346645 0.918798 Ru\n0.647221 0.666413 0.750871 Ru\n0.333587 0.647221 0.249129 Ru\n0.346645 0.331392 0.081202 Ru\n0.854068 0.831414 0.583029 Ru\n0.846645 0.831392 0.918798 Ru\n0.658723 0.547967 0.249562 O\n0.858836 0.693184 0.084419 O\n0.452033 0.658723 0.750438 O\n0.699397 0.149691 0.584577 O\n0.660369 0.543756 0.916358 O\n0.149691 0.300603 0.415423 O\n0.160369 0.043756 0.083642 O\n0.156024 0.047878 0.416468 O\n0.698838 0.149768 0.249269 O\n0.199397 0.649691 0.415423 O\n0.341277 0.452033 0.249562 O\n0.649691 0.800603 0.584577 O\n0.456244 0.660369 0.083642 O\n0.843976 0.952122 0.416468 O\n0.198838 0.649768 0.750731 O\n0.358836 0.193184 0.915581 O\n0.952033 0.158723 0.249562 O\n0.300603 0.850309 0.584577 O\n0.806816 0.358836 0.084419 O\n0.543756 0.339631 0.083642 O\n0.641164 0.806816 0.915581 O\n0.850232 0.698838 0.750731 O\n0.350232 0.198838 0.249269 O\n0.956244 0.160369 0.916358 O\n0.043756 0.839631 0.916358 O\n0.800603 0.350309 0.415423 O\n0.193184 0.641164 0.084419 O\n0.656024 0.547878 0.583532 O\n0.047967 0.841277 0.249562 O\n0.306816 0.858836 0.915581 O\n0.547878 0.343976 0.416468 O\n0.801162 0.350232 0.750731 O\n0.343976 0.452122 0.583532 O\n0.693184 0.141164 0.915581 O\n0.141164 0.306816 0.084419 O\n0.350309 0.199397 0.584577 O\n0.850309 0.699397 0.415423 O\n0.952122 0.156024 0.583532 O\n0.149768 0.301162 0.750731 O\n0.649768 0.801162 0.249269 O\n0.047878 0.843976 0.583532 O\n0.839631 0.956244 0.083642 O\n0.452122 0.656024 0.416468 O\n0.841277 0.952033 0.750438 O\n0.547967 0.341277 0.750438 O\n0.158723 0.047967 0.750438 O\n0.301162 0.850232 0.249269 O\n0.339631 0.456244 0.916358 O\n",
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"formula_full": "Ba4 Ru24 O48",
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{
"id": "mp-1225464",
"created_at": "2022-09-04T14:41:36.266495Z",
"structure_string": "H26 Se4 N6 O16\n1.0\n6.109845 0.000000 0.000000\n-3.035777 8.175529 0.000000\n-0.037604 -2.318388 10.392314\nH Se N O\n26 4 6 16\ndirect\n0.026911 0.475087 0.321174 H\n0.976595 0.529403 0.679841 H\n0.372697 0.362308 0.227414 H\n0.628296 0.641914 0.772548 H\n0.875682 0.062237 0.207945 H\n0.120669 0.920454 0.784171 H\n0.545057 0.534686 0.178920 H\n0.460903 0.468962 0.822000 H\n0.917386 0.631684 0.364816 H\n0.083524 0.371318 0.635869 H\n0.693345 0.073765 0.323699 H\n0.314933 0.921287 0.673811 H\n0.145613 0.655089 0.268993 H\n0.855574 0.348822 0.730565 H\n0.348375 0.376384 0.069993 H\n0.655077 0.628117 0.930899 H\n0.593050 0.354802 0.130740 H\n0.406241 0.646596 0.870027 H\n0.788962 0.909589 0.291645 H\n0.198822 0.076264 0.703714 H\n0.189114 0.653337 0.426523 H\n0.815316 0.351965 0.573476 H\n0.592353 0.920903 0.188148 H\n0.394138 0.071656 0.811966 H\n0.031852 0.999533 0.487539 H\n0.972489 0.999744 0.987634 H\n0.116533 0.779152 0.039040 Se\n0.884698 0.227952 0.959907 Se\n0.340493 0.227763 0.457383 Se\n0.668899 0.780754 0.541693 Se\n0.069429 0.602903 0.345400 N\n0.933258 0.401369 0.654956 N\n0.463681 0.406856 0.151776 N\n0.538836 0.596872 0.848933 N\n0.739582 0.992466 0.252535 N\n0.256032 0.997693 0.743803 N\n0.842693 0.679717 0.072000 O\n0.158614 0.318194 0.925954 O\n0.157032 0.708189 0.886062 O\n0.845434 0.288765 0.113551 O\n0.207292 0.299903 0.359813 O\n0.788118 0.700808 0.641284 O\n0.612500 0.247829 0.422812 O\n0.392390 0.758910 0.572840 O\n0.308178 0.758161 0.141042 O\n0.691261 0.246182 0.859088 O\n0.157085 0.985870 0.058294 O\n0.830974 0.012958 0.932986 O\n0.185461 0.012476 0.433655 O\n0.833048 0.986821 0.559486 O\n0.325678 0.305637 0.612051 O\n0.675826 0.689894 0.387586 O\n",
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"formula_full": "H26 Se4 N6 O16",
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{
"id": "mp-12161",
"created_at": "2022-09-04T14:41:36.283367Z",
"structure_string": "K2 Sr1 Cu1 N6 O12\n1.0\n0.000000 5.294058 5.514595\n5.283145 0.000000 5.514595\n5.283145 5.294058 0.000000\nK Sr Cu N O\n2 1 1 6 12\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cu\n0.197799 0.802201 0.802201 N\n0.788275 0.788275 0.211725 N\n0.802210 0.197790 0.802210 N\n0.197790 0.802210 0.197790 N\n0.211725 0.211725 0.788275 N\n0.802201 0.197799 0.197799 N\n0.838491 0.357460 0.161509 O\n0.642540 0.161509 0.357460 O\n0.842894 0.157106 0.638572 O\n0.161509 0.642540 0.838491 O\n0.829110 0.625718 0.374282 O\n0.170890 0.374282 0.625718 O\n0.361428 0.638572 0.157106 O\n0.357460 0.838491 0.642540 O\n0.625718 0.829110 0.170890 O\n0.638572 0.361428 0.842894 O\n0.374282 0.170890 0.829110 O\n0.157106 0.842894 0.361428 O\n",
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{
"id": "mp-775911",
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"structure_string": "La4 Nb4 N4 O10\n1.0\n5.392791 5.383331 0.000000\n-5.392791 5.383331 0.000000\n0.000000 5.374817 5.393739\nLa Nb N O\n4 4 4 10\ndirect\n0.374439 0.119767 0.255090 La\n0.373237 0.629487 0.747423 La\n0.370513 0.626763 0.252577 La\n0.880233 0.625561 0.744910 La\n0.868745 0.108976 0.763537 Nb\n0.862781 0.623807 0.255678 Nb\n0.376193 0.137219 0.744322 Nb\n0.891024 0.131255 0.236463 Nb\n0.809568 0.809506 0.995475 N\n0.556872 0.443128 0.500000 N\n0.248687 0.751313 0.500000 N\n0.190494 0.190432 0.004525 N\n0.195967 0.197899 0.602229 O\n0.801450 0.198550 0.000000 O\n0.202939 0.797061 0.000000 O\n0.802101 0.804033 0.397771 O\n0.501702 0.498298 0.000000 O\n0.950164 0.450995 0.499951 O\n0.554520 0.054270 0.892975 O\n0.943635 0.056365 0.500000 O\n0.945730 0.445480 0.107025 O\n0.549005 0.049836 0.500049 O\n",
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{
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"structure_string": "La4 Tb4 O14\n1.0\n0.000000 5.609721 5.609721\n5.609721 0.000000 5.609721\n5.609721 5.609721 0.000000\nLa Tb O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 La\n0.125000 0.125000 0.125000 La\n0.125000 0.625000 0.125000 La\n0.125000 0.125000 0.625000 La\n0.625000 0.625000 0.125000 Tb\n0.625000 0.625000 0.625000 Tb\n0.625000 0.125000 0.625000 Tb\n0.125000 0.625000 0.625000 Tb\n0.722855 0.277145 0.277145 O\n0.722855 0.722855 0.277145 O\n0.277145 0.722855 0.277145 O\n0.000000 0.000000 0.000000 O\n0.722855 0.277145 0.722855 O\n0.972855 0.527145 0.527145 O\n0.277145 0.722855 0.722855 O\n0.527145 0.972855 0.527145 O\n0.250000 0.250000 0.250000 O\n0.972855 0.527145 0.972855 O\n0.527145 0.527145 0.972855 O\n0.972855 0.972855 0.527145 O\n0.527145 0.972855 0.972855 O\n0.277145 0.277145 0.722855 O\n",
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{
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"structure_string": "K2 Zr4 P6 O24\n1.0\n8.482619 -4.433104 0.000000\n8.482619 4.433104 0.000000\n6.165833 0.000000 7.320502\nK Zr P O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.649545 0.649545 0.649545 Zr\n0.850455 0.850455 0.850455 Zr\n0.350455 0.350455 0.350455 Zr\n0.149545 0.149545 0.149545 Zr\n0.037024 0.462976 0.750000 P\n0.462976 0.750000 0.037024 P\n0.750000 0.037024 0.462976 P\n0.962976 0.537024 0.250000 P\n0.537024 0.250000 0.962976 P\n0.250000 0.962976 0.537024 P\n0.922030 0.070415 0.295043 O\n0.070415 0.295043 0.922030 O\n0.295043 0.922030 0.070415 O\n0.429585 0.577970 0.204957 O\n0.577970 0.204957 0.429585 O\n0.204957 0.429585 0.577970 O\n0.077970 0.929585 0.704957 O\n0.929585 0.704957 0.077970 O\n0.704957 0.077970 0.929585 O\n0.570415 0.422030 0.795043 O\n0.422030 0.795043 0.570415 O\n0.795043 0.570415 0.422030 O\n0.741535 0.867081 0.488668 O\n0.867081 0.488668 0.741535 O\n0.488668 0.741535 0.867081 O\n0.632919 0.758465 0.011332 O\n0.758465 0.011332 0.632919 O\n0.011332 0.632919 0.758465 O\n0.258465 0.132919 0.511332 O\n0.132919 0.511332 0.258465 O\n0.511332 0.258465 0.132919 O\n0.367081 0.241535 0.988668 O\n0.241535 0.988668 0.367081 O\n0.988668 0.367081 0.241535 O\n",
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{
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"structure_string": "Li6 Mn6 P8 O32\n1.0\n4.995887 0.000000 0.000000\n0.000000 8.625330 0.000000\n0.000000 7.079249 14.380313\nLi Mn P O\n6 6 8 32\ndirect\n0.000000 0.500000 0.500000 Li\n0.059277 0.193371 0.755648 Li\n0.559277 0.806629 0.744352 Li\n0.440723 0.193371 0.255648 Li\n0.500000 0.500000 0.000000 Li\n0.940723 0.806629 0.244352 Li\n0.010199 0.689910 0.623847 Mn\n0.500000 0.000000 0.500000 Mn\n0.510199 0.310090 0.876153 Mn\n0.000000 0.000000 0.000000 Mn\n0.489801 0.689910 0.123847 Mn\n0.989801 0.310090 0.376153 Mn\n0.496632 0.469580 0.651033 P\n0.996632 0.530420 0.848967 P\n0.997235 0.075966 0.596408 P\n0.497235 0.924034 0.903592 P\n0.502765 0.075966 0.096408 P\n0.002765 0.924034 0.403592 P\n0.003368 0.469580 0.151033 P\n0.503368 0.530420 0.348967 P\n0.408674 0.654313 0.640608 O\n0.931768 0.666363 0.744658 O\n0.339582 0.410896 0.590526 O\n0.806042 0.479057 0.637743 O\n0.949104 0.249156 0.508636 O\n0.306042 0.520943 0.862257 O\n0.839582 0.589104 0.909474 O\n0.431768 0.333637 0.755342 O\n0.289317 0.005514 0.599198 O\n0.908674 0.345687 0.859392 O\n0.812947 0.935345 0.581501 O\n0.921726 0.080702 0.685388 O\n0.550896 0.249156 0.008636 O\n0.421726 0.919298 0.814612 O\n0.312947 0.064655 0.918499 O\n0.789317 0.994486 0.900802 O\n0.210683 0.005514 0.099198 O\n0.687053 0.935345 0.081501 O\n0.578274 0.080702 0.185388 O\n0.449104 0.750844 0.991364 O\n0.078274 0.919298 0.314612 O\n0.187053 0.064655 0.418499 O\n0.091326 0.654313 0.140608 O\n0.710683 0.994486 0.400802 O\n0.568232 0.666363 0.244658 O\n0.160418 0.410896 0.090526 O\n0.693958 0.479057 0.137743 O\n0.050896 0.750844 0.491364 O\n0.193958 0.520943 0.362257 O\n0.660418 0.589104 0.409474 O\n0.068232 0.333637 0.255342 O\n0.591326 0.345687 0.359392 O\n",
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