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{
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{
"id": "mp-1205211",
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{
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"structure_string": "Ni2 H32 Cl4 O32\n1.0\n12.786774 0.000000 0.000000\n0.000000 6.389984 0.000000\n0.000000 2.736018 9.032400\nNi H Cl O\n2 32 4 32\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.819187 0.984425 0.866069 H\n0.402165 0.953792 0.761652 H\n0.628604 0.905562 0.739108 H\n0.680813 0.984425 0.366069 H\n0.097835 0.953792 0.261652 H\n0.059885 0.666795 0.907296 H\n0.837589 0.775821 0.555047 H\n0.871396 0.905562 0.239108 H\n0.597332 0.684494 0.706377 H\n0.916591 0.635250 0.664595 H\n0.362917 0.665447 0.537499 H\n0.440115 0.666795 0.407296 H\n0.662411 0.775821 0.055047 H\n0.902668 0.684494 0.206377 H\n0.862917 0.334553 0.962501 H\n0.416591 0.364750 0.835405 H\n0.583409 0.635250 0.164595 H\n0.137083 0.665447 0.037499 H\n0.097332 0.315506 0.793623 H\n0.337589 0.224179 0.944953 H\n0.559885 0.333205 0.592704 H\n0.637083 0.334553 0.462501 H\n0.083409 0.364750 0.335405 H\n0.402668 0.315506 0.293623 H\n0.128604 0.094438 0.760892 H\n0.162411 0.224179 0.444953 H\n0.940115 0.333205 0.092704 H\n0.902165 0.046208 0.738348 H\n0.319187 0.015575 0.633931 H\n0.371396 0.094438 0.260892 H\n0.597835 0.046208 0.238348 H\n0.180813 0.015575 0.133931 H\n0.136992 0.734995 0.590989 Cl\n0.363008 0.734995 0.090989 Cl\n0.636992 0.265005 0.909011 Cl\n0.863008 0.265005 0.409011 Cl\n0.892892 0.966398 0.843558 O\n0.174317 0.941272 0.616480 O\n0.426127 0.786128 0.957459 O\n0.606472 0.842532 0.660933 O\n0.607108 0.966398 0.343558 O\n0.325683 0.941272 0.116480 O\n0.073873 0.786128 0.457459 O\n0.069662 0.620044 0.717542 O\n0.842657 0.643866 0.638460 O\n0.434925 0.701727 0.501767 O\n0.893528 0.842532 0.160933 O\n0.224784 0.597480 0.583351 O\n0.724784 0.402520 0.916649 O\n0.934925 0.298273 0.998233 O\n0.342657 0.356134 0.861540 O\n0.430338 0.620044 0.217542 O\n0.569662 0.379956 0.782458 O\n0.657343 0.643866 0.138460 O\n0.065075 0.701727 0.001767 O\n0.275216 0.597480 0.083351 O\n0.775216 0.402520 0.416649 O\n0.106472 0.157468 0.839067 O\n0.565075 0.298273 0.498233 O\n0.157343 0.356134 0.361540 O\n0.930338 0.379956 0.282458 O\n0.926127 0.213872 0.542541 O\n0.674317 0.058728 0.883520 O\n0.392892 0.033602 0.656442 O\n0.393528 0.157468 0.339067 O\n0.573873 0.213872 0.042541 O\n0.825683 0.058728 0.383520 O\n0.107108 0.033602 0.156442 O\n",
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],
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{
"id": "mp-18738",
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"structure_string": "Nd4 Ni3 O8\n1.0\n3.917202 0.000000 -0.599093\n-0.091625 3.916130 -0.599093\n-0.013801 -0.014128 13.015724\nNd Ni O\n4 3 8\ndirect\n0.701620 0.701619 0.403241 Nd\n0.298379 0.298379 0.596759 Nd\n0.566310 0.566309 0.132619 Nd\n0.433692 0.433692 0.867382 Nd\n0.875070 0.875072 0.750143 Ni\n0.124929 0.124929 0.249857 Ni\n0.000000 0.000000 0.000000 Ni\n0.250000 0.750000 0.500000 O\n0.749999 0.250001 0.500000 O\n0.874613 0.374613 0.749228 O\n0.374614 0.874613 0.749228 O\n0.125386 0.625385 0.250772 O\n0.625385 0.125385 0.250772 O\n0.000001 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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"formula_full": "Nd4 Ni3 O8",
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},
{
"id": "mp-1233442",
"created_at": "2022-09-04T14:45:21.894850Z",
"structure_string": "Mg1 Fe6 O4 F8\n1.0\n-4.829959 4.699541 3.386271\n0.064986 4.872480 -3.548417\n-4.702575 0.086813 -3.319873\nMg Fe O F\n1 6 4 8\ndirect\n0.173645 0.089898 0.565879 Mg\n0.859108 0.590075 0.706869 Fe\n0.658228 0.344216 0.326042 Fe\n0.361239 0.607270 0.605394 Fe\n0.151592 0.551334 0.149033 Fe\n0.515601 0.931666 0.020741 Fe\n0.960372 0.040420 0.108331 Fe\n0.341182 0.900013 0.331256 O\n0.677342 0.631387 0.019991 O\n0.001804 0.284504 0.784688 O\n0.976394 0.731622 0.361687 O\n0.638379 0.067431 0.653857 F\n0.333026 0.353707 0.935943 F\n0.321983 0.869931 0.858887 F\n0.995266 0.249998 0.318545 F\n0.650289 0.535221 0.578432 F\n0.041031 0.758890 0.795371 F\n0.340491 0.361445 0.414062 F\n0.669696 0.100968 0.121244 F\n",
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"formula_full": "Mg1 Fe6 O4 F8",
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{
"id": "mp-1214105",
"created_at": "2022-09-04T14:45:21.923870Z",
"structure_string": "Ce6 Rh8 Pb26\n1.0\n10.206734 0.000000 0.000000\n0.000000 10.206734 0.000000\n0.000000 0.000000 10.206734\nCe Rh Pb\n6 8 26\ndirect\n0.250000 0.000000 0.500000 Ce\n0.750000 0.000000 0.500000 Ce\n0.500000 0.250000 0.000000 Ce\n0.500000 0.750000 0.000000 Ce\n0.000000 0.500000 0.250000 Ce\n0.000000 0.500000 0.750000 Ce\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.750000 0.750000 0.250000 Rh\n0.750000 0.250000 0.750000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.154055 0.306518 Pb\n0.000000 0.845945 0.693482 Pb\n0.000000 0.845945 0.306518 Pb\n0.000000 0.154055 0.693482 Pb\n0.306518 0.000000 0.154055 Pb\n0.654055 0.500000 0.193482 Pb\n0.693482 0.000000 0.845945 Pb\n0.345945 0.500000 0.806518 Pb\n0.306518 0.000000 0.845945 Pb\n0.345945 0.500000 0.193482 Pb\n0.693482 0.000000 0.154055 Pb\n0.654055 0.500000 0.806518 Pb\n0.154055 0.306518 0.000000 Pb\n0.500000 0.806518 0.345945 Pb\n0.845945 0.693482 0.000000 Pb\n0.500000 0.193482 0.654055 Pb\n0.154055 0.693482 0.000000 Pb\n0.500000 0.193482 0.345945 Pb\n0.845945 0.306518 0.000000 Pb\n0.500000 0.806518 0.654055 Pb\n0.193482 0.654055 0.500000 Pb\n0.806518 0.345945 0.500000 Pb\n0.193482 0.345945 0.500000 Pb\n0.806518 0.654055 0.500000 Pb\n",
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{
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"structure_string": "Fe4 Cu2 Ge4\n1.0\n3.970584 0.000000 0.000000\n0.000000 4.954465 0.000000\n0.000000 0.000000 6.778674\nFe Cu Ge\n4 2 4\ndirect\n0.500000 0.750000 0.159267 Fe\n0.500000 0.250000 0.840733 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.750000 0.375554 Ge\n0.000000 0.250000 0.624446 Ge\n0.500000 0.250000 0.193125 Ge\n0.500000 0.750000 0.806875 Ge\n",
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{
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"structure_string": "Mn2 Ni21 B6\n1.0\n0.000000 5.202650 5.202650\n5.202650 0.000000 5.202650\n5.202650 5.202650 0.000000\nMn Ni B\n2 21 6\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ni\n0.619232 0.619232 0.142303 Ni\n0.619232 0.142303 0.619232 Ni\n0.142303 0.619232 0.619232 Ni\n0.619232 0.619232 0.619232 Ni\n0.380768 0.380768 0.857697 Ni\n0.380768 0.857697 0.380768 Ni\n0.857697 0.380768 0.380768 Ni\n0.380768 0.380768 0.380768 Ni\n0.000000 0.000000 0.340263 Ni\n0.659737 0.000000 0.340263 Ni\n0.000000 0.659737 0.340263 Ni\n0.659737 0.340263 0.000000 Ni\n0.000000 0.340263 0.000000 Ni\n0.000000 0.340263 0.659737 Ni\n0.340263 0.659737 0.000000 Ni\n0.340263 0.000000 0.659737 Ni\n0.340263 0.000000 0.000000 Ni\n0.000000 0.000000 0.659737 Ni\n0.000000 0.659737 0.000000 Ni\n0.659737 0.000000 0.000000 Ni\n0.730484 0.730484 0.269516 B\n0.269516 0.730484 0.269516 B\n0.730484 0.269516 0.269516 B\n0.269516 0.269516 0.730484 B\n0.730484 0.269516 0.730484 B\n0.269516 0.730484 0.730484 B\n",
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{
"id": "mp-776551",
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"structure_string": "Li4 Fe8 O4 F20\n1.0\n4.853689 0.000000 0.000000\n0.000000 5.348133 0.000000\n0.000000 0.182875 15.213206\nLi Fe O F\n4 8 4 20\ndirect\n0.256959 0.129102 0.574369 Li\n0.743041 0.129102 0.074369 Li\n0.755046 0.814843 0.926600 Li\n0.244954 0.814843 0.426600 Li\n0.768467 0.281161 0.749320 Fe\n0.216298 0.302949 0.904397 Fe\n0.231533 0.281161 0.249319 Fe\n0.783702 0.302949 0.404397 Fe\n0.727137 0.617081 0.586986 Fe\n0.270909 0.792495 0.752414 Fe\n0.272863 0.617081 0.086986 Fe\n0.729091 0.792495 0.252414 Fe\n0.081847 0.092788 0.802204 O\n0.918153 0.092788 0.302204 O\n0.526488 0.548104 0.695804 O\n0.473512 0.548104 0.195804 O\n0.576070 0.165835 0.861831 F\n0.001800 0.078679 0.975642 F\n0.423930 0.165835 0.361831 F\n0.998200 0.078679 0.475642 F\n0.539228 0.350076 0.516833 F\n0.972748 0.334498 0.637368 F\n0.969394 0.565664 0.808467 F\n0.460772 0.350076 0.016833 F\n0.434789 0.645129 0.863245 F\n0.027252 0.334498 0.137368 F\n0.024494 0.571198 0.978061 F\n0.030606 0.565664 0.308467 F\n0.565211 0.645129 0.363245 F\n0.975506 0.571198 0.478061 F\n0.487286 0.848103 0.530143 F\n0.027821 0.823361 0.644386 F\n0.523584 0.038932 0.691932 F\n0.512714 0.848103 0.030143 F\n0.972179 0.823361 0.144386 F\n0.476416 0.038932 0.191932 F\n",
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