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{
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{
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{
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{
"id": "mp-22369",
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"structure_string": "Fe2 Sb12 Pb8 S28\n1.0\n19.483874 0.000000 0.000000\n0.000000 4.043943 0.000000\n0.000000 0.621493 15.958818\nFe Sb Pb S\n2 12 8 28\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.440129 0.592502 0.317145 Sb\n0.446291 0.373484 0.896137 Sb\n0.946291 0.626516 0.603863 Sb\n0.940129 0.407498 0.182855 Sb\n0.059871 0.592502 0.817145 Sb\n0.053709 0.373484 0.396137 Sb\n0.559871 0.407498 0.682855 Sb\n0.553709 0.626516 0.103863 Sb\n0.660522 0.627787 0.872478 Sb\n0.160522 0.372213 0.627522 Sb\n0.339478 0.372213 0.127522 Sb\n0.839478 0.627787 0.372478 Sb\n0.863160 0.037492 0.817406 Pb\n0.363160 0.962508 0.682594 Pb\n0.136840 0.962508 0.182594 Pb\n0.636840 0.037492 0.317406 Pb\n0.757581 0.064735 0.574959 Pb\n0.257581 0.935265 0.925041 Pb\n0.242419 0.935265 0.425041 Pb\n0.742419 0.064735 0.074959 Pb\n0.798548 0.106802 0.279762 S\n0.507088 0.031727 0.215097 S\n0.007088 0.968273 0.284903 S\n0.492912 0.968273 0.784903 S\n0.992912 0.031727 0.715097 S\n0.895771 0.062769 0.499917 S\n0.395771 0.937231 0.000083 S\n0.104229 0.937231 0.500083 S\n0.604229 0.062769 0.999917 S\n0.729987 0.584046 0.449963 S\n0.600636 0.984471 0.582214 S\n0.100636 0.015529 0.917786 S\n0.399364 0.015529 0.417786 S\n0.899364 0.984471 0.082214 S\n0.955973 0.525560 0.907051 S\n0.455973 0.474440 0.592949 S\n0.044027 0.474440 0.092949 S\n0.544027 0.525560 0.407051 S\n0.838154 0.557573 0.684264 S\n0.338154 0.442427 0.815736 S\n0.161846 0.442427 0.315736 S\n0.661846 0.557573 0.184264 S\n0.701452 0.106802 0.779762 S\n0.201452 0.893198 0.720238 S\n0.298548 0.893198 0.220238 S\n0.270013 0.415954 0.550037 S\n0.770013 0.584046 0.949963 S\n0.229987 0.415954 0.050037 S\n",
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"formula_full": "Fe2 Sb12 Pb8 S28",
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{
"id": "mp-766810",
"created_at": "2022-09-04T14:39:41.891280Z",
"structure_string": "Li1 Co2 Cu1 O6\n1.0\n6.028271 -2.787583 -0.053574\n0.000000 -1.470183 2.403650\n-3.430501 -3.986759 -2.438487\nLi Co Cu O\n1 2 1 6\ndirect\n0.663134 0.668432 0.162114 Li\n0.995820 0.002090 0.993116 Co\n0.677315 0.661342 0.658629 Co\n0.325295 0.337353 0.349474 Cu\n0.991191 0.504404 0.207636 O\n0.378378 0.810810 0.572654 O\n0.696142 0.151929 0.888719 O\n0.298702 0.850649 0.124499 O\n0.661613 0.169194 0.435418 O\n0.979075 0.510462 0.774409 O\n",
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{
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"structure_string": "La1 Gd3\n1.0\n-2.570471 2.570471 5.137443\n2.570471 -2.570471 5.137443\n2.570471 2.570471 -5.137443\nLa Gd\n1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.749999 0.250000 0.499999 Gd\n0.250000 0.749999 0.499999 Gd\n0.499999 0.499999 0.000000 Gd\n",
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{
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"structure_string": "Mo16 N12 O62\n1.0\n11.988833 0.000000 0.000000\n0.000000 9.959209 0.000000\n0.000000 5.474293 14.730089\nMo N O\n16 12 62\ndirect\n0.460377 0.877933 0.428838 Mo\n0.960377 0.122067 0.071162 Mo\n0.539623 0.122067 0.571162 Mo\n0.039623 0.877933 0.928838 Mo\n0.744812 0.916193 0.462055 Mo\n0.244812 0.083807 0.037945 Mo\n0.255188 0.083807 0.537945 Mo\n0.755188 0.916193 0.962055 Mo\n0.625420 0.578155 0.541152 Mo\n0.125420 0.421845 0.958848 Mo\n0.374580 0.421845 0.458848 Mo\n0.874580 0.578155 0.041152 Mo\n0.412246 0.775152 0.655345 Mo\n0.912246 0.224848 0.844655 Mo\n0.587754 0.224848 0.344655 Mo\n0.087754 0.775152 0.155345 Mo\n0.000980 0.772104 0.696793 N\n0.500980 0.227896 0.803207 N\n0.999020 0.227896 0.303207 N\n0.499020 0.772104 0.196793 N\n0.091181 0.726124 0.460117 N\n0.591181 0.273876 0.039883 N\n0.908819 0.273876 0.539883 N\n0.408819 0.726124 0.960117 N\n0.707296 0.828634 0.798295 N\n0.207296 0.171366 0.701705 N\n0.292704 0.171366 0.201705 N\n0.792704 0.828634 0.298295 N\n0.489820 0.734663 0.559196 O\n0.989820 0.265337 0.940804 O\n0.510180 0.265337 0.440804 O\n0.010180 0.734663 0.059196 O\n0.630003 0.032745 0.484609 O\n0.130003 0.967255 0.015391 O\n0.369997 0.967255 0.515391 O\n0.869997 0.032745 0.984609 O\n0.592161 0.796161 0.413435 O\n0.092161 0.203839 0.086565 O\n0.407839 0.203839 0.586565 O\n0.907839 0.796161 0.913435 O\n0.357576 0.803873 0.384686 O\n0.857576 0.196127 0.115314 O\n0.642424 0.196127 0.615314 O\n0.142424 0.803873 0.884686 O\n0.729040 0.746382 0.551875 O\n0.229040 0.253618 0.948125 O\n0.270960 0.253618 0.448125 O\n0.770960 0.746382 0.051875 O\n0.867202 0.981262 0.486466 O\n0.367202 0.018738 0.013534 O\n0.132798 0.018738 0.513534 O\n0.632798 0.981262 0.986466 O\n0.820177 0.796416 0.378573 O\n0.320177 0.203584 0.121427 O\n0.179823 0.203584 0.621427 O\n0.679823 0.796416 0.878573 O\n0.632403 0.480123 0.654824 O\n0.132403 0.519877 0.845176 O\n0.367597 0.519877 0.345176 O\n0.867597 0.480123 0.154824 O\n0.732431 0.518039 0.491003 O\n0.232431 0.481961 0.008997 O\n0.267569 0.481961 0.508997 O\n0.767569 0.518039 0.991003 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.469030 0.631522 0.764742 O\n0.969030 0.368478 0.735258 O\n0.530970 0.368478 0.235258 O\n0.030970 0.631522 0.264742 O\n0.517252 0.940802 0.655807 O\n0.017252 0.059198 0.844193 O\n0.482748 0.059198 0.344193 O\n0.982748 0.940802 0.155807 O\n0.275786 0.970785 0.676105 O\n0.775786 0.029215 0.823895 O\n0.724214 0.029215 0.323895 O\n0.224214 0.970785 0.176105 O\n0.277343 0.718605 0.656989 O\n0.777343 0.281395 0.843011 O\n0.722657 0.281395 0.343011 O\n0.222657 0.718605 0.156989 O\n0.763432 0.948628 0.763333 O\n0.263432 0.051372 0.736667 O\n0.236568 0.051372 0.236667 O\n0.736568 0.948628 0.263333 O\n0.928285 0.484684 0.677277 O\n0.428285 0.515316 0.822723 O\n0.071715 0.515316 0.322723 O\n0.571715 0.484684 0.177277 O\n",
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{
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{
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"structure_string": "Cu2 H28 C8 N8 O16\n1.0\n9.554165 0.074404 0.000000\n-0.983863 7.294536 0.000000\n0.000000 0.000000 9.990470\nCu H C N O\n2 28 8 8 16\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.802993 0.052573 0.345470 H\n0.697007 0.947427 0.845470 H\n0.612946 0.816511 0.029089 H\n0.647920 0.478514 0.131950 H\n0.852080 0.521486 0.631950 H\n0.352080 0.521486 0.868050 H\n0.147920 0.478514 0.368050 H\n0.075158 0.799881 0.259795 H\n0.424842 0.200119 0.759795 H\n0.924842 0.200119 0.740205 H\n0.197007 0.947427 0.654530 H\n0.302993 0.052573 0.154530 H\n0.358279 0.375583 0.495763 H\n0.141721 0.624417 0.995763 H\n0.641721 0.624417 0.504237 H\n0.858279 0.375583 0.004237 H\n0.604371 0.342077 0.447412 H\n0.513715 0.248808 0.325440 H\n0.395629 0.657923 0.552588 H\n0.104371 0.342077 0.052588 H\n0.986285 0.751192 0.825440 H\n0.887054 0.183489 0.529089 H\n0.013715 0.248808 0.174560 H\n0.486285 0.751192 0.674560 H\n0.112946 0.816511 0.470911 H\n0.387054 0.183489 0.970911 H\n0.575158 0.799881 0.240205 H\n0.895629 0.657923 0.947412 H\n0.246772 0.967264 0.233473 C\n0.253228 0.032736 0.733473 C\n0.753228 0.032736 0.766527 C\n0.835969 0.573656 0.531097 C\n0.335969 0.573656 0.968903 C\n0.164031 0.426344 0.468903 C\n0.664031 0.426344 0.031097 C\n0.746772 0.967264 0.266527 C\n0.547724 0.740878 0.961849 N\n0.928663 0.688935 0.469488 N\n0.571337 0.311065 0.969488 N\n0.952276 0.259122 0.461849 N\n0.428663 0.688935 0.030512 N\n0.047724 0.740878 0.538151 N\n0.452276 0.259122 0.038151 N\n0.071337 0.311065 0.530512 N\n0.020501 0.249648 0.076784 O\n0.979499 0.750352 0.923216 O\n0.479499 0.750352 0.576784 O\n0.520501 0.249648 0.423216 O\n0.701795 0.531257 0.476600 O\n0.714491 0.034911 0.649855 O\n0.298205 0.468743 0.523400 O\n0.201795 0.531257 0.023400 O\n0.785509 0.965089 0.149855 O\n0.127985 0.868778 0.186975 O\n0.214491 0.034911 0.850145 O\n0.285509 0.965089 0.350145 O\n0.627985 0.868778 0.313025 O\n0.872015 0.131222 0.813025 O\n0.372015 0.131222 0.686975 O\n0.798205 0.468743 0.976600 O\n",
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