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{
"id": "mp-604071",
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"structure_string": "K16 Fe8 P8 H40 C16 O80\n1.0\n10.485413 0.000000 0.000000\n0.000000 11.915508 0.000000\n0.000000 0.000000 15.768272\nK Fe P H C O\n16 8 8 40 16 80\ndirect\n0.800390 0.167535 0.131159 K\n0.172011 0.332687 0.884553 K\n0.300390 0.832465 0.368841 K\n0.827989 0.667313 0.115447 K\n0.672011 0.167313 0.884553 K\n0.327989 0.832687 0.115447 K\n0.327989 0.332687 0.384553 K\n0.800390 0.667535 0.368841 K\n0.699610 0.667535 0.868841 K\n0.300390 0.332465 0.131159 K\n0.827989 0.167313 0.384553 K\n0.172011 0.832687 0.615447 K\n0.672011 0.667313 0.615447 K\n0.699610 0.167535 0.631159 K\n0.199610 0.832465 0.868841 K\n0.199610 0.332465 0.631159 K\n0.395832 0.082818 0.738675 Fe\n0.604168 0.917182 0.261325 Fe\n0.395832 0.582818 0.761325 Fe\n0.104168 0.082818 0.238675 Fe\n0.104168 0.582818 0.261325 Fe\n0.604168 0.417182 0.238675 Fe\n0.895832 0.417182 0.738675 Fe\n0.895832 0.917182 0.761325 Fe\n0.155464 0.094104 0.023198 P\n0.844536 0.905896 0.976802 P\n0.655464 0.405896 0.023198 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H\n0.356145 0.096002 0.917959 H\n0.455787 0.777075 0.917573 H\n0.856145 0.903998 0.582041 H\n0.066824 0.981909 0.396197 H\n0.933586 0.853829 0.457967 H\n0.566414 0.353829 0.542033 H\n0.933586 0.353829 0.042033 H\n0.643855 0.403998 0.417959 H\n0.066824 0.481909 0.103803 H\n0.066414 0.646171 0.957967 H\n0.532767 0.098319 0.459701 H\n0.467233 0.901681 0.540299 H\n0.102727 0.086481 0.759482 C\n0.897273 0.413519 0.259482 C\n0.977399 0.155797 0.765263 C\n0.102727 0.586480 0.740518 C\n0.602727 0.413519 0.759482 C\n0.602727 0.913520 0.740518 C\n0.022601 0.344203 0.265263 C\n0.397273 0.086481 0.259482 C\n0.522601 0.155797 0.265263 C\n0.522601 0.655797 0.234737 C\n0.477399 0.844203 0.734737 C\n0.977399 0.655797 0.734737 C\n0.022601 0.844203 0.234737 C\n0.477399 0.344203 0.765263 C\n0.897273 0.913520 0.240518 C\n0.397273 0.586480 0.240518 C\n0.989119 0.261175 0.762945 O\n0.945298 0.365751 0.451361 O\n0.010881 0.738825 0.237055 O\n0.873491 0.100768 0.770301 O\n0.589426 0.942229 0.125901 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O\n0.089426 0.057771 0.374099 O\n0.521455 0.144562 0.066343 O\n0.592116 0.519618 0.761185 O\n0.899289 0.861512 0.891142 O\n0.293794 0.140893 0.251435 O\n0.489119 0.238825 0.762945 O\n0.907884 0.019618 0.238815 O\n0.410574 0.557771 0.625901 O\n0.021455 0.355438 0.066343 O\n0.279484 0.657170 0.500151 O\n0.220516 0.657170 0.000151 O\n0.626509 0.600768 0.229699 O\n0.720516 0.842830 0.000151 O\n0.907884 0.519618 0.261185 O\n0.092116 0.480382 0.738815 O\n0.554702 0.365751 0.951361 O\n0.100711 0.638488 0.391142 O\n0.592116 0.019618 0.738815 O\n0.021455 0.855438 0.433657 O\n0.668142 0.034207 0.479618 O\n0.092116 0.980382 0.761185 O\n0.407884 0.980382 0.261185 O\n0.168142 0.465793 0.479618 O\n0.054702 0.134249 0.951361 O\n0.206206 0.140893 0.751435 O\n0.521455 0.644562 0.433657 O\n0.510881 0.261175 0.262945 O\n0.089426 0.557771 0.125901 O\n0.945298 0.865751 0.048639 O\n0.331858 0.965793 0.520382 O\n0.126509 0.399232 0.270301 O\n0.399289 0.138488 0.608858 O\n0.126509 0.899232 0.229699 O\n0.399289 0.638488 0.891142 O\n0.410574 0.057771 0.874099 O\n0.706206 0.859107 0.748565 O\n0.279484 0.157170 0.999849 O\n0.407884 0.480382 0.238815 O\n0.600711 0.361512 0.108858 O\n0.373491 0.399232 0.770301 O\n0.793794 0.859107 0.248565 O\n0.445298 0.634249 0.048639 O\n",
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"formula_full": "K16 Fe8 P8 H40 C16 O80",
"formula_reduced": "K2FePH5(CO5)2",
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"updated_at": "2021-11-28T01:35:56.607000Z",
"spacegroup": 61
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{
"id": "mp-556760",
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"structure_string": "Nb4 P8 O30\n1.0\n6.806601 0.000000 0.000000\n0.016210 8.535847 0.000000\n0.058561 3.037375 10.804224\nNb P O\n4 8 30\ndirect\n0.738025 0.703816 0.855272 Nb\n0.261975 0.296184 0.144728 Nb\n0.233703 0.293591 0.647743 Nb\n0.766297 0.706409 0.352257 Nb\n0.113066 0.913460 0.622879 P\n0.438806 0.683332 0.602292 P\n0.062292 0.684682 0.098503 P\n0.561194 0.316668 0.397708 P\n0.613602 0.084667 0.876065 P\n0.886934 0.086540 0.377121 P\n0.937708 0.315318 0.901497 P\n0.386398 0.915333 0.123935 P\n0.322494 0.525994 0.642112 O\n0.556573 0.661779 0.967965 O\n0.034536 0.335010 0.549027 O\n0.443427 0.338221 0.032035 O\n0.509266 0.794876 0.212745 O\n0.445804 0.299801 0.516751 O\n0.032686 0.301102 0.026448 O\n0.565125 0.710424 0.706652 O\n0.916915 0.714845 0.193674 O\n0.677506 0.474006 0.357888 O\n0.988201 0.790950 0.709247 O\n0.490734 0.205124 0.787255 O\n0.967314 0.698898 0.973552 O\n0.177038 0.527673 0.146389 O\n0.822962 0.472327 0.853611 O\n0.788574 0.164932 0.932357 O\n0.211426 0.835068 0.067643 O\n0.000000 0.000000 0.500000 O\n0.011799 0.209050 0.290753 O\n0.965464 0.664990 0.450973 O\n0.707740 0.952278 0.826431 O\n0.289406 0.833993 0.565237 O\n0.554196 0.700199 0.483249 O\n0.434875 0.289576 0.293348 O\n0.083085 0.285155 0.806326 O\n0.292260 0.047722 0.173569 O\n0.205247 0.044429 0.674239 O\n0.794753 0.955571 0.325761 O\n0.710594 0.166007 0.434763 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n-0.066353 -5.712969 -0.405425\n-5.514544 -0.068970 0.022995\n0.025751 -0.552375 -8.992596\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.396110 0.470862 0.672596 Sr\n0.976495 0.025036 0.253414 Sr\n0.917398 0.988230 0.702146 Pr\n0.464554 0.468836 0.264075 Pr\n0.707622 0.480738 0.903446 Mg\n0.100187 0.528021 0.038967 Fe\n0.466916 0.977485 0.455253 Fe\n0.956715 0.503693 0.490624 Ru\n0.556320 0.998062 0.018570 Ru\n0.944678 0.426170 0.718640 O\n0.558003 0.151676 0.817574 O\n0.029702 0.577420 0.266630 O\n0.534757 0.890350 0.245136 O\n0.214816 0.234198 0.461099 O\n0.756788 0.288475 0.080155 O\n0.869714 0.799193 0.952527 O\n0.208863 0.753555 0.519486 O\n0.697683 0.770351 0.543609 O\n0.406077 0.683215 0.944063 O\n0.284784 0.219614 0.086525 O\n0.689912 0.264820 0.457134 O\n",
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{
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{
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{
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"structure_string": "K3 Ho1 F6\n1.0\n-3.543299 -3.543299 4.590078\n-3.543299 3.543299 -4.590078\n3.543299 -3.543299 -4.590078\nK Ho F\n3 1 6\ndirect\n0.500000 0.750000 0.250000 K\n0.500000 0.250000 0.750000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ho\n0.694728 0.694728 0.000000 F\n0.305272 0.305272 0.000000 F\n0.694728 0.000000 0.694728 F\n0.305272 0.000000 0.305272 F\n0.000000 0.762606 0.762606 F\n0.000000 0.237394 0.237394 F\n",
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{
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