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{
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{
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"formula_full": "Y2 Co6 Se4 Cl2 O16",
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{
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"structure_string": "Ni6 Pb4 S4\n1.0\n-4.023483 4.023483 4.023483\n4.023483 -4.023483 4.023483\n4.023483 4.023483 -4.023483\nNi Pb S\n6 4 4\ndirect\n0.500018 0.750000 0.250018 Ni\n0.250000 0.249982 0.999982 Ni\n0.250018 0.500018 0.750000 Ni\n0.999982 0.250000 0.249982 Ni\n0.750000 0.250018 0.500018 Ni\n0.249982 0.999982 0.250000 Ni\n0.988693 0.500000 0.000000 Pb\n0.000000 0.988693 0.500000 Pb\n0.500000 0.000000 0.988693 Pb\n0.511307 0.511307 0.511307 Pb\n0.533573 0.500000 0.000000 S\n0.000000 0.533573 0.500000 S\n0.500000 0.000000 0.533573 S\n0.966427 0.966427 0.966427 S\n",
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{
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"structure_string": "Mn2 Mo2 N1 O10\n1.0\n2.972084 4.969479 0.000000\n-2.972084 4.969479 0.000000\n0.000000 3.588947 7.649533\nMn Mo N O\n2 2 1 10\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.573206 0.573206 0.240392 Mo\n0.426794 0.426794 0.759608 Mo\n0.000000 0.000000 0.000000 N\n0.194948 0.194948 0.409056 O\n0.805052 0.805052 0.590944 O\n0.210761 0.693532 0.295625 O\n0.693532 0.210761 0.295625 O\n0.789239 0.306468 0.704375 O\n0.306468 0.789239 0.704375 O\n0.684717 0.684717 0.019414 O\n0.315283 0.315283 0.980586 O\n0.681560 0.681560 0.382436 O\n0.318440 0.318440 0.617564 O\n",
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"formula_full": "Mn2 Mo2 N1 O10",
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"spacegroup": 12
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{
"id": "mp-767393",
"created_at": "2022-09-04T14:48:23.927538Z",
"structure_string": "Li15 Ti11 Nb5 O42\n1.0\n2.568965 -4.449578 0.000000\n2.568965 4.449578 0.000000\n0.000000 0.000000 33.169184\nLi Ti Nb O\n15 11 5 42\ndirect\n0.000000 0.000000 0.199006 Li\n0.666667 0.333333 0.053784 Li\n0.666667 0.333333 0.260851 Li\n0.666667 0.333333 0.446127 Li\n0.666667 0.333333 0.553488 Li\n0.666667 0.333333 0.719544 Li\n0.666667 0.333333 0.780455 Li\n0.666667 0.333333 0.946457 Li\n0.000000 0.000000 0.871286 Li\n0.000000 0.000000 0.372391 Li\n0.000000 0.000000 0.698565 Li\n0.333333 0.666667 0.303061 Li\n0.333333 0.666667 0.801417 Li\n0.333333 0.666667 0.628682 Li\n0.333333 0.666667 0.126897 Li\n0.000000 0.000000 0.080654 Ti\n0.000000 0.000000 0.989936 Ti\n0.000000 0.000000 0.489870 Ti\n0.000000 0.000000 0.580349 Ti\n0.000000 0.000000 0.286080 Ti\n0.000000 0.000000 0.783136 Ti\n0.333333 0.666667 0.716938 Ti\n0.333333 0.666667 0.510080 Ti\n0.333333 0.666667 0.419256 Ti\n0.333333 0.666667 0.010153 Ti\n0.333333 0.666667 0.919737 Ti\n0.666667 0.333333 0.145546 Nb\n0.666667 0.333333 0.354206 Nb\n0.666667 0.333333 0.643932 Nb\n0.666667 0.333333 0.856078 Nb\n0.333333 0.666667 0.216618 Nb\n0.670982 0.958108 0.250396 O\n0.703075 0.040403 0.107349 O\n0.715471 0.047781 0.819999 O\n0.688406 0.966028 0.534437 O\n0.666557 0.695859 0.749989 O\n0.962880 0.298726 0.607103 O\n0.959671 0.288174 0.320175 O\n0.688448 0.722521 0.034490 O\n0.701274 0.664154 0.607103 O\n0.711826 0.671497 0.320175 O\n0.034073 0.311552 0.034490 O\n0.277622 0.311594 0.534437 O\n0.952219 0.667691 0.819999 O\n0.959597 0.662672 0.107349 O\n0.033972 0.722378 0.534437 O\n0.332309 0.284529 0.819999 O\n0.337328 0.296925 0.107349 O\n0.041892 0.712875 0.250396 O\n0.996522 0.626484 0.392240 O\n0.000953 0.618947 0.680001 O\n0.055652 0.700492 0.965542 O\n0.277479 0.965927 0.034490 O\n0.328503 0.040329 0.320175 O\n0.335846 0.037120 0.607103 O\n0.304141 0.970697 0.749989 O\n0.997464 0.368024 0.892922 O\n0.005895 0.372186 0.178474 O\n0.299267 0.944096 0.465420 O\n0.370560 0.002536 0.892922 O\n0.029303 0.333443 0.749989 O\n0.366291 0.994105 0.178474 O\n0.055904 0.355171 0.465420 O\n0.299508 0.355160 0.965542 O\n0.617994 0.999047 0.680001 O\n0.287125 0.329018 0.250396 O\n0.629961 0.003478 0.392240 O\n0.644840 0.944348 0.965542 O\n0.381053 0.382006 0.680001 O\n0.373516 0.370039 0.392240 O\n0.644829 0.700733 0.465420 O\n0.627814 0.633709 0.178474 O\n0.631976 0.629440 0.892922 O\n",
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{
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{
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"structure_string": "Sr4 Zn4 Co4 P8 O32\n1.0\n3.929537 6.352872 -3.557093\n-6.850891 6.422520 -1.328322\n-0.065596 -0.049398 9.411060\nSr Zn Co P O\n4 4 4 8 32\ndirect\n0.523847 0.275399 0.050446 Sr\n0.023856 0.775417 0.050465 Sr\n0.476143 0.724595 0.949527 Sr\n0.976116 0.224575 0.949494 Sr\n0.686010 0.693867 0.645616 Zn\n0.185989 0.193888 0.645599 Zn\n0.313958 0.306149 0.354400 Zn\n0.814014 0.806126 0.354412 Zn\n0.239700 0.608319 0.559460 Co\n0.260343 0.891668 0.440581 Co\n0.739693 0.108310 0.559387 Co\n0.760288 0.391679 0.440527 Co\n0.409195 0.014510 0.234024 P\n0.909225 0.514510 0.234035 P\n0.590803 0.985504 0.765979 P\n0.090767 0.485497 0.765965 P\n0.432630 0.589968 0.300918 P\n0.932641 0.089939 0.300916 P\n0.567369 0.410020 0.699078 P\n0.067391 0.910063 0.699106 P\n0.682574 0.873125 0.896142 O\n0.182595 0.373122 0.896122 O\n0.317427 0.126894 0.103878 O\n0.817387 0.626871 0.103861 O\n0.569921 0.904446 0.210910 O\n0.069897 0.404410 0.210871 O\n0.430094 0.095569 0.789119 O\n0.930096 0.595599 0.789136 O\n0.728147 0.069318 0.763296 O\n0.228129 0.569314 0.763311 O\n0.271852 0.930677 0.236692 O\n0.771873 0.430678 0.236678 O\n0.533591 0.581702 0.696749 O\n0.033635 0.081742 0.696806 O\n0.466424 0.418287 0.303260 O\n0.966439 0.918251 0.303224 O\n0.875413 0.874516 0.579731 O\n0.375401 0.374456 0.579758 O\n0.124593 0.125533 0.420255 O\n0.624584 0.625557 0.420250 O\n0.629136 0.367329 0.867746 O\n0.129182 0.867301 0.867758 O\n0.370853 0.632661 0.132248 O\n0.870849 0.132691 0.132264 O\n0.480610 0.108611 0.394596 O\n0.980674 0.608611 0.394609 O\n0.519345 0.891404 0.605406 O\n0.019316 0.391385 0.605399 O\n0.786162 0.163847 0.365560 O\n0.286138 0.663869 0.365551 O\n0.213846 0.836142 0.634451 O\n0.713841 0.336080 0.634428 O\n",
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{
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{
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{
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{
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"structure_string": "Ca3 Sm1 Mn4 O12\n1.0\n7.666792 0.000000 0.000000\n0.000000 5.360899 0.000000\n0.000000 0.013212 5.457247\nCa Sm Mn O\n3 1 4 12\ndirect\n0.500000 0.007180 0.046156 Ca\n0.000000 0.505757 0.455930 Ca\n0.000000 0.994093 0.957269 Ca\n0.500000 0.487861 0.549827 Sm\n0.247174 0.501724 0.002356 Mn\n0.752913 0.998029 0.499737 Mn\n0.752826 0.501724 0.002356 Mn\n0.247087 0.998029 0.499737 Mn\n0.295817 0.211387 0.787705 O\n0.711389 0.295967 0.294857 O\n0.789117 0.797982 0.203859 O\n0.216338 0.699270 0.700768 O\n0.210883 0.797982 0.203859 O\n0.783662 0.699270 0.700768 O\n0.704183 0.211387 0.787705 O\n0.288611 0.295967 0.294857 O\n0.500000 0.574080 0.985769 O\n0.500000 0.923772 0.481435 O\n0.000000 0.424777 0.019292 O\n0.000000 0.073761 0.525763 O\n",
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