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{
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{
"id": "mp-21133",
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"structure_string": "Np1 Mn2 Ge2\n1.0\n-1.997886 1.997886 5.112293\n1.997886 -1.997886 5.112293\n1.997886 1.997886 -5.112293\nNp Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.624928 0.624928 0.000000 Ge\n0.375072 0.375072 0.000000 Ge\n",
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{
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{
"id": "mp-652092",
"created_at": "2022-09-04T14:42:54.021821Z",
"structure_string": "Fe16 Pb4 C64 O64\n1.0\n19.988460 0.000000 0.000000\n0.000000 11.054337 0.000000\n0.000000 0.150157 12.056109\nFe Pb C O\n16 4 64 64\ndirect\n0.349960 0.461803 0.139776 Fe\n0.339129 0.433127 0.379539 Fe\n0.839129 0.566873 0.120461 Fe\n0.395753 0.034608 0.229529 Fe\n0.650040 0.538197 0.860224 Fe\n0.660871 0.566873 0.620461 Fe\n0.150040 0.461803 0.639776 Fe\n0.104247 0.034608 0.729529 Fe\n0.604247 0.965392 0.770471 Fe\n0.160871 0.433127 0.879539 Fe\n0.977836 0.171683 0.770445 Fe\n0.522164 0.171683 0.270445 Fe\n0.022164 0.828317 0.229555 Fe\n0.477836 0.828317 0.729555 Fe\n0.849960 0.538197 0.360224 Fe\n0.895753 0.965392 0.270471 Fe\n0.400974 0.272606 0.250128 Pb\n0.900974 0.727394 0.249872 Pb\n0.099026 0.272606 0.750128 Pb\n0.599026 0.727394 0.749872 Pb\n0.125336 0.033601 0.875448 C\n0.189173 0.607269 0.646277 C\n0.288244 0.564626 0.401705 C\n0.310827 0.607269 0.146277 C\n0.062146 0.891576 0.735560 C\n0.935720 0.486632 0.357494 C\n0.189880 0.006911 0.697559 C\n0.917277 0.485014 0.120573 C\n0.640072 0.566342 0.003374 C\n0.771277 0.675294 0.129483 C\n0.359928 0.433658 0.996626 C\n0.562146 0.108424 0.764440 C\n0.497377 0.847879 0.583798 C\n0.631364 0.630459 0.493397 C\n0.211756 0.564626 0.901705 C\n0.728723 0.675294 0.629483 C\n0.997377 0.152121 0.916202 C\n0.532648 0.207874 0.124864 C\n0.967352 0.207874 0.624864 C\n0.502623 0.152121 0.416202 C\n0.427750 0.702353 0.695420 C\n0.131364 0.369541 0.006603 C\n0.874664 0.966399 0.124552 C\n0.271277 0.324706 0.370517 C\n0.002623 0.847879 0.083798 C\n0.437854 0.891576 0.235560 C\n0.572250 0.297647 0.304580 C\n0.868636 0.630459 0.993397 C\n0.086426 0.061674 0.583953 C\n0.435720 0.513368 0.142506 C\n0.810120 0.993089 0.302441 C\n0.577907 0.043964 0.265879 C\n0.625336 0.966399 0.624552 C\n0.072250 0.702353 0.195420 C\n0.788244 0.435374 0.098295 C\n0.467352 0.792126 0.875136 C\n0.922093 0.043964 0.765879 C\n0.927750 0.297647 0.804580 C\n0.082723 0.514986 0.879427 C\n0.913574 0.938326 0.416047 C\n0.310120 0.006911 0.197559 C\n0.689173 0.392731 0.853723 C\n0.228723 0.324706 0.870517 C\n0.422093 0.956036 0.734121 C\n0.937854 0.108424 0.264440 C\n0.222962 0.366302 0.643046 C\n0.277038 0.366302 0.143046 C\n0.368636 0.369541 0.506603 C\n0.722962 0.633698 0.856954 C\n0.417277 0.514986 0.379427 C\n0.689880 0.993089 0.802441 C\n0.374664 0.033601 0.375448 C\n0.564280 0.486632 0.857494 C\n0.810827 0.392731 0.353723 C\n0.032648 0.792126 0.375136 C\n0.077907 0.956036 0.234121 C\n0.413574 0.061674 0.083953 C\n0.777038 0.633698 0.356954 C\n0.711756 0.435374 0.598295 C\n0.140072 0.433658 0.496626 C\n0.582723 0.485014 0.620573 C\n0.064280 0.513368 0.642506 C\n0.859928 0.566342 0.503374 C\n0.586426 0.938326 0.916047 C\n0.536782 0.202744 0.760153 O\n0.468452 0.562957 0.391569 O\n0.968452 0.437043 0.108431 O\n0.365809 0.418873 0.901922 O\n0.463218 0.797256 0.239847 O\n0.270655 0.251922 0.870004 O\n0.892250 0.668537 0.912282 O\n0.785923 0.297737 0.352877 O\n0.714077 0.297737 0.852877 O\n0.243759 0.650865 0.915866 O\n0.245566 0.987145 0.677261 O\n0.767035 0.702065 0.862434 O\n0.504402 0.854711 0.488219 O\n0.642420 0.972441 0.532379 O\n0.745566 0.012855 0.822739 O\n0.921367 0.925750 0.511048 O\n0.392250 0.331463 0.587718 O\n0.232965 0.297935 0.137566 O\n0.267035 0.297935 0.637566 O\n0.615871 0.965052 0.262736 O\n0.634191 0.581127 0.098078 O\n0.106657 0.621946 0.171487 O\n0.606657 0.378054 0.328513 O\n0.384129 0.034948 0.737264 O\n0.229345 0.251922 0.370004 O\n0.454892 0.764850 0.966275 O\n0.995598 0.854711 0.988219 O\n0.531548 0.437043 0.608431 O\n0.508968 0.455118 0.864205 O\n0.756241 0.349135 0.084134 O\n0.857580 0.972441 0.032379 O\n0.884129 0.965052 0.762736 O\n0.770655 0.748078 0.629996 O\n0.607750 0.668537 0.412282 O\n0.491032 0.544882 0.135795 O\n0.031548 0.562957 0.891569 O\n0.045108 0.764850 0.466275 O\n0.036782 0.797256 0.739847 O\n0.893343 0.378054 0.828513 O\n0.393343 0.621946 0.671487 O\n0.865809 0.581127 0.598078 O\n0.963218 0.202744 0.260153 O\n0.004402 0.145289 0.011781 O\n0.254434 0.987145 0.177261 O\n0.495598 0.145289 0.511781 O\n0.421367 0.074250 0.988952 O\n0.115871 0.034948 0.237264 O\n0.743759 0.349135 0.584134 O\n0.008968 0.544882 0.635795 O\n0.285923 0.702263 0.147123 O\n0.078633 0.074250 0.488952 O\n0.142420 0.027559 0.967621 O\n0.134191 0.418873 0.401922 O\n0.732965 0.702065 0.362434 O\n0.545108 0.235150 0.033725 O\n0.754434 0.012855 0.322739 O\n0.256241 0.650865 0.415866 O\n0.729345 0.748078 0.129996 O\n0.578633 0.925750 0.011048 O\n0.214077 0.702263 0.647123 O\n0.107750 0.331463 0.087718 O\n0.991032 0.455118 0.364205 O\n0.954892 0.235150 0.533725 O\n0.357580 0.027559 0.467621 O\n",
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"elements": [
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"C",
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"formula_full": "Fe16 Pb4 C64 O64",
"formula_reduced": "Fe4Pb(CO)16",
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},
{
"id": "mp-1192928",
"created_at": "2022-09-04T14:42:55.984634Z",
"structure_string": "Ca4 Yb8 S16\n1.0\n0.000000 -4.127817 0.000000\n-14.260140 0.000000 0.000000\n0.000000 0.000000 -11.536400\nCa Yb S\n4 8 16\ndirect\n0.750000 0.089377 0.883130 Ca\n0.750000 0.589377 0.616870 Ca\n0.250000 0.910623 0.116870 Ca\n0.250000 0.410623 0.383130 Ca\n0.750000 0.396684 0.046670 Yb\n0.750000 0.896684 0.453330 Yb\n0.250000 0.603316 0.953330 Yb\n0.250000 0.103316 0.546670 Yb\n0.750000 0.358580 0.708127 Yb\n0.750000 0.858580 0.791873 Yb\n0.250000 0.641420 0.291873 Yb\n0.250000 0.141420 0.208127 Yb\n0.750000 0.273837 0.296459 S\n0.750000 0.773837 0.203541 S\n0.250000 0.726163 0.703541 S\n0.250000 0.226163 0.796459 S\n0.750000 0.238125 0.476406 S\n0.750000 0.738125 0.023594 S\n0.250000 0.761875 0.523594 S\n0.250000 0.261875 0.976406 S\n0.750000 0.047307 0.112230 S\n0.750000 0.547307 0.387770 S\n0.250000 0.952693 0.887770 S\n0.250000 0.452693 0.612230 S\n0.750000 0.508338 0.856487 S\n0.750000 0.008338 0.643513 S\n0.250000 0.491662 0.143513 S\n0.250000 0.991662 0.356487 S\n",
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{
"id": "mp-780255",
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"structure_string": "Gd6 Nb2 O14\n1.0\n3.795726 -5.355291 0.000000\n3.795726 5.355291 0.000000\n0.000000 0.000000 7.619745\nGd Nb O\n6 2 14\ndirect\n0.465026 0.000241 0.253480 Gd\n0.999759 0.534974 0.246520 Gd\n0.476819 0.476819 0.000000 Gd\n0.523181 0.523181 0.500000 Gd\n0.534974 0.999759 0.753480 Gd\n0.000241 0.465026 0.746520 Gd\n0.002809 0.002809 0.500000 Nb\n0.997191 0.997191 0.000000 Nb\n0.933795 0.066205 0.750000 O\n0.637470 0.362530 0.750000 O\n0.313583 0.061014 0.537299 O\n0.938986 0.686417 0.962701 O\n0.628784 0.371216 0.250000 O\n0.920013 0.674380 0.527944 O\n0.325620 0.079987 0.972056 O\n0.079987 0.325620 0.027944 O\n0.674380 0.920013 0.472056 O\n0.371216 0.628784 0.750000 O\n0.686417 0.938986 0.037299 O\n0.061014 0.313583 0.462701 O\n0.362530 0.637470 0.250000 O\n0.066205 0.933795 0.250000 O\n",
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{
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"structure_string": "Cs2 Nd2 Zn2 Te6\n1.0\n2.263768 -8.670158 0.000000\n2.263768 8.670158 0.000000\n0.000000 0.000000 12.040625\nCs Nd Zn Te\n2 2 2 6\ndirect\n0.253566 0.746434 0.750000 Cs\n0.746434 0.253566 0.250000 Cs\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.535279 0.464721 0.750000 Zn\n0.464721 0.535279 0.250000 Zn\n0.620806 0.379194 0.565398 Te\n0.379194 0.620806 0.434602 Te\n0.060545 0.939455 0.250000 Te\n0.939455 0.060545 0.750000 Te\n0.620806 0.379194 0.934602 Te\n0.379194 0.620806 0.065398 Te\n",
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{
"id": "mp-608314",
"created_at": "2022-09-04T14:42:55.476604Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.400969 0.000000 0.000000\n0.000000 9.413748 0.000000\n0.000000 0.000000 12.981886\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.869166 0.091493 Rb\n0.750000 0.015002 0.679465 Rb\n0.750000 0.515002 0.820535 Rb\n0.750000 0.369166 0.408507 Rb\n0.250000 0.130834 0.908507 Rb\n0.250000 0.984998 0.320535 Rb\n0.250000 0.484998 0.179465 Rb\n0.250000 0.630834 0.591493 Rb\n0.750000 0.775249 0.422377 Zn\n0.250000 0.724751 0.922377 Zn\n0.250000 0.224751 0.577623 Zn\n0.750000 0.275249 0.077623 Zn\n0.250000 0.483219 0.917251 Cl\n0.999889 0.316186 0.657397 Cl\n0.250000 0.818760 0.086114 Cl\n0.250000 0.318760 0.413886 Cl\n0.750000 0.681240 0.586114 Cl\n0.499889 0.683814 0.342603 Cl\n0.250000 0.983219 0.582749 Cl\n0.000111 0.183814 0.157397 Cl\n0.750000 0.516781 0.082749 Cl\n0.999889 0.816186 0.842603 Cl\n0.000111 0.683814 0.342603 Cl\n0.500111 0.316186 0.657397 Cl\n0.750000 0.181240 0.913886 Cl\n0.499889 0.183814 0.157397 Cl\n0.750000 0.016781 0.417251 Cl\n0.500111 0.816186 0.842603 Cl\n",
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{
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