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{
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"formula_full": "K12 Ta8 S44",
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"spacegroup": 15
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{
"id": "mp-2422",
"created_at": "2022-09-04T14:40:35.101628Z",
"structure_string": "Er1 Ga2\n1.0\n2.098924 -3.635443 0.000000\n2.098924 3.635443 0.000000\n0.000000 0.000000 4.066542\nEr Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
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"density": 8.20655042738465,
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{
"id": "mp-1180150",
"created_at": "2022-09-04T14:40:35.104078Z",
"structure_string": "Nb8 Fe4 O24\n1.0\n5.333192 -0.001741 -0.025078\n-0.001402 5.831462 0.003229\n-0.038839 0.009171 14.955030\nNb Fe O\n8 4 24\ndirect\n0.984465 0.171546 0.165366 Nb\n0.510738 0.668939 0.664969 Nb\n0.010561 0.331789 0.664819 Nb\n0.484376 0.827864 0.165276 Nb\n0.016203 0.829183 0.834408 Nb\n0.516228 0.171188 0.834482 Nb\n0.989931 0.668675 0.335273 Nb\n0.489778 0.330813 0.335031 Nb\n0.750387 0.142934 0.500123 Fe\n0.247581 0.349961 0.999920 Fe\n0.249001 0.857321 0.499852 Fe\n0.747899 0.650062 0.999895 Fe\n0.795981 0.907625 0.102208 O\n0.091820 0.609084 0.917648 O\n0.091051 0.114012 0.581663 O\n0.409192 0.112790 0.418492 O\n0.161049 0.857853 0.241413 O\n0.908755 0.886455 0.418451 O\n0.204525 0.093619 0.898492 O\n0.337211 0.359591 0.740975 O\n0.339597 0.858681 0.758807 O\n0.408265 0.607166 0.081830 O\n0.704512 0.906638 0.898449 O\n0.806251 0.401610 0.398497 O\n0.163030 0.358730 0.258875 O\n0.295996 0.091698 0.102215 O\n0.193853 0.598794 0.601465 O\n0.591993 0.390944 0.917675 O\n0.306400 0.597061 0.398202 O\n0.837208 0.641333 0.741038 O\n0.839609 0.141859 0.758724 O\n0.590643 0.887094 0.581586 O\n0.908133 0.392287 0.081820 O\n0.661125 0.141590 0.241322 O\n0.662942 0.640420 0.258995 O\n0.693709 0.402791 0.601746 O\n",
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{
"id": "mp-867833",
"created_at": "2022-09-04T14:40:35.106370Z",
"structure_string": "La1 Mg1 Hg2\n1.0\n0.000000 3.727553 3.727553\n3.727553 0.000000 3.727553\n3.727553 3.727553 0.000000\nLa Mg Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
"id": "mp-774597",
"created_at": "2022-09-04T14:40:35.109014Z",
"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n8.438559 0.000000 0.000000\n-2.028699 8.201619 0.000000\n-3.038770 -3.896435 8.828047\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.776298 0.263137 0.271043 Na\n0.010982 0.018192 0.262886 Na\n0.223702 0.736863 0.728957 Na\n0.989018 0.981808 0.737114 Na\n0.442022 0.193874 0.916374 Na\n0.557978 0.806126 0.083626 Na\n0.499014 0.513390 0.269185 Na\n0.253581 0.746185 0.259630 Na\n0.500986 0.486610 0.730815 Na\n0.746419 0.253815 0.740370 Na\n0.935869 0.686976 0.346004 Ni\n0.064131 0.313024 0.653996 Ni\n0.439122 0.187682 0.346412 Ni\n0.560878 0.812318 0.653588 Ni\n0.805831 0.555489 0.581398 P\n0.306069 0.056425 0.580896 P\n0.194169 0.444511 0.418602 P\n0.693931 0.943575 0.419104 P\n0.761837 0.511970 0.064264 C\n0.238163 0.488030 0.935736 C\n0.264825 0.014269 0.064428 C\n0.735175 0.985731 0.935572 C\n0.816355 0.069124 0.078303 O\n0.771396 0.835440 0.318545 O\n0.159647 0.911122 0.430344 O\n0.064857 0.312932 0.455014 O\n0.935143 0.687068 0.544986 O\n0.840353 0.088878 0.569656 O\n0.913607 0.474691 0.676316 O\n0.228604 0.164560 0.681455 O\n0.411712 0.977947 0.681478 O\n0.783421 0.034330 0.839310 O\n0.289838 0.539101 0.840641 O\n0.097293 0.345521 0.875389 O\n0.590866 0.843627 0.876021 O\n0.183645 0.930876 0.921697 O\n0.327055 0.574182 0.078304 O\n0.902707 0.654479 0.124611 O\n0.409134 0.156373 0.123979 O\n0.216579 0.965670 0.160690 O\n0.710162 0.460899 0.159359 O\n0.086393 0.525309 0.323684 O\n0.276293 0.339022 0.323679 O\n0.588288 0.022053 0.318522 O\n0.660652 0.409240 0.428871 O\n0.562145 0.813945 0.453408 O\n0.437855 0.186055 0.546592 O\n0.339348 0.590760 0.571129 O\n0.723707 0.660978 0.676321 O\n0.672945 0.425818 0.921696 O\n",
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"formula_full": "Na10 Ni4 P4 C4 O28",
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{
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{
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"structure_string": "Sn1 Bi4 Te7\n1.0\n2.230275 -3.862949 0.000000\n2.230275 3.862949 0.000000\n0.000000 0.000000 24.572134\nSn Bi Te\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.161521 Bi\n0.333333 0.666667 0.838479 Bi\n0.666667 0.333333 0.417957 Bi\n0.333333 0.666667 0.582043 Bi\n0.000000 0.000000 0.500000 Te\n0.666667 0.333333 0.923284 Te\n0.333333 0.666667 0.076716 Te\n0.000000 0.000000 0.768817 Te\n0.000000 0.000000 0.231183 Te\n0.666667 0.333333 0.651922 Te\n0.333333 0.666667 0.348078 Te\n",
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"formula_full": "Sn1 Bi4 Te7",
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{
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"structure_string": "K2 Rb1 Ta1 Br6\n1.0\n0.000000 5.845287 5.845287\n5.845287 0.000000 5.845287\n5.845287 5.845287 0.000000\nK Rb Ta Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.775590 0.224410 0.224410 Br\n0.224410 0.224410 0.775590 Br\n0.224410 0.775590 0.775590 Br\n0.224410 0.775590 0.224410 Br\n0.775590 0.224410 0.775590 Br\n0.775590 0.775590 0.224410 Br\n",
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{
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"structure_string": "Ba2 Sr7 I18\n1.0\n10.745936 0.000000 0.000000\n1.245681 11.455380 0.000000\n5.368052 1.689745 10.701909\nBa Sr I\n2 7 18\ndirect\n0.530112 0.389418 0.780522 Ba\n0.469888 0.610582 0.219478 Ba\n0.326653 0.824503 0.880540 Sr\n0.000000 0.500000 0.000000 Sr\n0.816530 0.779138 0.384448 Sr\n0.114268 0.112044 0.294618 Sr\n0.885732 0.887956 0.705382 Sr\n0.183470 0.220862 0.615552 Sr\n0.673347 0.175497 0.119460 Sr\n0.385652 0.098914 0.748133 I\n0.518867 0.690142 0.635025 I\n0.769637 0.551386 0.278460 I\n0.987966 0.211478 0.086827 I\n0.794912 0.029594 0.486484 I\n0.588297 0.816795 0.946438 I\n0.942641 0.653805 0.578999 I\n0.160113 0.844076 0.197460 I\n0.708282 0.459662 0.971521 I\n0.291718 0.540338 0.028479 I\n0.839887 0.155924 0.802540 I\n0.057359 0.346195 0.421001 I\n0.411703 0.183205 0.053562 I\n0.205088 0.970406 0.513516 I\n0.012034 0.788522 0.913173 I\n0.230363 0.448614 0.721540 I\n0.481133 0.309858 0.364975 I\n0.614348 0.901086 0.251867 I\n",
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}