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{
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{
"id": "mp-28685",
"created_at": "2022-09-04T14:39:34.244396Z",
"structure_string": "Ba16 Ni12 N14\n1.0\n8.396349 4.801043 0.000000\n-8.396349 4.801043 0.000000\n0.000000 3.557670 11.559021\nBa Ni N\n16 12 14\ndirect\n0.917407 0.082593 0.750000 Ba\n0.082593 0.917407 0.250000 Ba\n0.247186 0.752814 0.750000 Ba\n0.752814 0.247186 0.250000 Ba\n0.883107 0.703634 0.598893 Ba\n0.296366 0.116893 0.901107 Ba\n0.116893 0.296366 0.401107 Ba\n0.703634 0.883107 0.098893 Ba\n0.231990 0.636452 0.103346 Ba\n0.363548 0.768010 0.396654 Ba\n0.768010 0.363548 0.896654 Ba\n0.636452 0.231990 0.603346 Ba\n0.617956 0.553512 0.357164 Ba\n0.446488 0.382044 0.142836 Ba\n0.382044 0.446488 0.642836 Ba\n0.553512 0.617956 0.857164 Ba\n0.217579 0.059409 0.614187 Ni\n0.940591 0.782421 0.885813 Ni\n0.871983 0.633996 0.101067 Ni\n0.366004 0.128017 0.398933 Ni\n0.128017 0.366004 0.898933 Ni\n0.633996 0.871983 0.601067 Ni\n0.457199 0.040849 0.132467 Ni\n0.959151 0.542801 0.367533 Ni\n0.542801 0.959151 0.867533 Ni\n0.040849 0.457199 0.632467 Ni\n0.059409 0.217579 0.114187 Ni\n0.782421 0.940591 0.385813 Ni\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.000000 N\n0.593038 0.406962 0.750000 N\n0.406962 0.593038 0.250000 N\n0.084948 0.915052 0.750000 N\n0.915052 0.084948 0.250000 N\n0.637540 0.753654 0.499929 N\n0.246346 0.362460 0.000071 N\n0.362460 0.246346 0.500071 N\n0.753654 0.637540 0.999929 N\n0.592626 0.931102 0.728815 N\n0.068898 0.407374 0.771185 N\n0.407374 0.068898 0.271185 N\n0.931102 0.592626 0.228815 N\n",
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},
{
"id": "mp-1390152",
"created_at": "2022-09-04T14:39:25.802870Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n5.841895 -0.187218 4.132485\n2.037555 5.478244 4.132485\n-0.278805 -0.187218 7.150347\nMg Cr S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Mg\n0.500001 0.999999 0.500001 Cr\n0.999999 0.500000 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.759075 0.256951 0.759075 S\n0.240924 0.240925 0.743049 S\n0.240924 0.743050 0.240924 S\n0.743048 0.240925 0.240925 S\n0.259549 0.259550 0.259549 S\n0.740451 0.740451 0.740451 S\n0.256952 0.759076 0.759075 S\n0.759076 0.759076 0.256951 S\n",
"nsites": 13,
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"elements": [
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"chemical_system": "Cr-Mg-S",
"density": 3.367530444299941,
"density_atomic": 0.05393444778888904,
"volume": 241.03333830142805,
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"formula_full": "Mg1 Cr4 S8",
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"formula_anonymous": "AB4C8",
"energy": -86.70332556,
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"updated_at": "2021-11-28T01:34:33.743000Z",
"spacegroup": 166
},
{
"id": "mp-753276",
"created_at": "2022-09-04T14:39:34.253990Z",
"structure_string": "Li4 Co2 Ni2 O8\n1.0\n-1.610063 4.058729 2.479717\n-5.037107 -1.590992 2.527075\n5.035499 -1.524492 2.560912\nLi Co Ni O\n4 2 2 8\ndirect\n0.500000 0.250000 0.750000 Li\n0.500000 0.750000 0.250000 Li\n0.997290 0.499758 0.000248 Li\n0.002709 0.000242 0.499752 Li\n0.500000 0.750000 0.750000 Co\n0.500000 0.250000 0.250000 Co\n0.999958 0.000783 0.000795 Ni\n0.000042 0.499217 0.499205 Ni\n0.738906 0.880063 0.120705 O\n0.738891 0.378075 0.618714 O\n0.261109 0.121925 0.881286 O\n0.261094 0.619937 0.379295 O\n0.270958 0.644132 0.855974 O\n0.271509 0.140458 0.359631 O\n0.728491 0.359542 0.140369 O\n0.729042 0.855868 0.644026 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.531981175996298,
"density_atomic": 0.1116782148942202,
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"formula_full": "Li4 Co2 Ni2 O8",
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"energy": -98.20213339,
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"updated_at": "2021-11-28T01:34:43.437000Z",
"spacegroup": 10
},
{
"id": "mp-988320",
"created_at": "2022-09-04T14:39:34.263688Z",
"structure_string": "Sr20 Cu10 Bi20 O58\n1.0\n5.403426 0.000000 0.000000\n2.701713 13.618726 0.000000\n2.701713 3.040869 24.813060\nSr Cu Bi O\n20 10 20 58\ndirect\n0.185593 0.839786 0.511098 Sr\n0.195209 0.421210 0.927891 Sr\n0.828355 0.749455 0.871991 Sr\n0.846109 0.578790 0.072109 Sr\n0.690164 0.507185 0.827733 Sr\n0.207479 0.059491 0.321781 Sr\n0.707718 0.337914 0.028452 Sr\n0.714105 0.159916 0.226227 Sr\n0.834708 0.160214 0.488902 Sr\n0.701192 0.951932 0.416586 Sr\n0.355246 0.492815 0.172267 Sr\n0.206909 0.250545 0.128009 Sr\n0.177339 0.614758 0.717677 Sr\n0.332673 0.048068 0.583414 Sr\n0.844904 0.385242 0.282323 Sr\n0.327961 0.840084 0.773773 Sr\n0.341352 0.662086 0.971548 Sr\n0.680036 0.726462 0.609463 Sr\n0.344112 0.273538 0.390537 Sr\n0.826206 0.940509 0.678219 Sr\n0.779776 0.176267 0.355651 Cu\n0.758926 0.941761 0.547870 Cu\n0.247859 0.823733 0.644349 Cu\n0.784847 0.375251 0.154800 Cu\n0.767582 0.542494 0.948654 Cu\n0.276433 0.457506 0.051346 Cu\n0.269295 0.058239 0.452130 Cu\n0.254795 0.624749 0.845200 Cu\n0.284494 0.280208 0.255738 Cu\n0.748549 0.719792 0.744262 Cu\n0.117496 0.975630 0.179110 Bi\n0.954623 0.462429 0.429755 Bi\n0.487498 0.411304 0.682327 Bi\n0.147933 0.325937 0.776946 Bi\n0.391421 0.595298 0.315099 Bi\n0.408724 0.345882 0.533402 Bi\n0.572255 0.231356 0.891175 Bi\n0.115668 0.148691 0.987844 Bi\n0.529440 0.654118 0.466598 Bi\n0.962757 0.024370 0.820890 Bi\n0.449725 0.768644 0.108825 Bi\n0.965203 0.226193 0.633062 Bi\n0.045050 0.674063 0.223054 Bi\n0.575298 0.880928 0.270927 Bi\n0.577212 0.066012 0.085329 Bi\n0.062438 0.537571 0.570245 Bi\n0.425870 0.933988 0.914671 Bi\n0.423443 0.119072 0.729073 Bi\n0.979133 0.851309 0.012156 Bi\n0.105947 0.773807 0.366938 Bi\n0.524124 0.307999 0.810127 O\n0.163771 0.108686 0.212505 O\n0.157768 0.461150 0.805784 O\n0.890835 0.538850 0.194216 O\n0.090939 0.664331 0.608991 O\n0.497069 0.669722 0.792258 O\n0.519203 0.497785 0.999225 O\n0.403056 0.633030 0.080343 O\n0.003835 0.884667 0.596895 O\n0.533618 0.226097 0.303112 O\n0.817618 0.335669 0.391009 O\n0.695550 0.010674 0.307081 O\n0.405999 0.692001 0.189873 O\n0.042846 0.234961 0.307802 O\n0.696260 0.199640 0.117887 O\n0.035089 0.330278 0.207742 O\n0.522272 0.115333 0.403105 O\n0.178408 0.887212 0.268800 O\n0.017364 0.000967 0.500643 O\n0.377795 0.989326 0.692919 O\n0.390283 0.213733 0.501626 O\n0.181950 0.065782 0.091611 O\n0.515754 0.999033 0.499357 O\n0.378732 0.800360 0.882113 O\n0.506277 0.784728 0.358317 O\n0.022189 0.120144 0.405587 O\n0.512629 0.583801 0.896666 O\n0.500083 0.765039 0.692198 O\n0.139693 0.457920 0.646947 O\n0.991439 0.667386 0.793987 O\n0.034826 0.542080 0.353053 O\n0.322349 0.422214 0.451521 O\n0.530964 0.415480 0.101909 O\n0.013576 0.584520 0.898091 O\n0.024557 0.934218 0.908389 O\n0.360156 0.022758 0.818056 O\n0.850868 0.718726 0.981773 O\n0.150369 0.281274 0.018227 O\n0.689683 0.366970 0.919657 O\n0.516387 0.145689 0.999814 O\n0.022194 0.502215 0.000775 O\n0.496458 0.879856 0.594413 O\n0.847622 0.094515 0.599021 O\n0.530065 0.332614 0.206013 O\n0.032162 0.416199 0.103334 O\n0.842580 0.891314 0.787495 O\n0.178753 0.225686 0.904344 O\n0.370884 0.854311 0.000186 O\n0.004409 0.773903 0.696888 O\n0.048723 0.774314 0.095656 O\n0.363233 0.215272 0.641683 O\n0.519342 0.977242 0.181944 O\n0.151259 0.688432 0.450449 O\n0.154086 0.905485 0.400979 O\n0.674924 0.786267 0.498374 O\n0.022396 0.112788 0.731200 O\n0.448613 0.577786 0.548479 O\n0.012378 0.311568 0.549551 O\n",
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],
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"formula_full": "Sr20 Cu10 Bi20 O58",
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"spacegroup": 1
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{
"id": "mp-1206393",
"created_at": "2022-09-04T14:39:34.266621Z",
"structure_string": "Ce1 In1 Ni4\n1.0\n0.000000 3.532083 3.532083\n3.532083 0.000000 3.532083\n3.532083 3.532083 0.000000\nCe In Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 In\n0.623959 0.623959 0.623959 Ni\n0.623959 0.623959 0.128122 Ni\n0.623959 0.128122 0.623959 Ni\n0.128122 0.623959 0.623959 Ni\n",
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],
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"density": 9.227057871991933,
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"formula_full": "Ce1 In1 Ni4",
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{
"id": "mp-769486",
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"structure_string": "Na6 Ni4 P4 C4 O28\n1.0\n8.375738 0.000000 0.000000\n-1.961894 8.143113 0.000000\n-3.142496 -3.779559 8.885205\nNa Ni P C O\n6 4 4 4 28\ndirect\n0.478299 0.517344 0.739610 Na\n0.521701 0.482656 0.260390 Na\n0.003057 0.005227 0.752037 Na\n0.754234 0.240297 0.746035 Na\n0.996943 0.994773 0.247963 Na\n0.245766 0.759703 0.253965 Na\n0.816962 0.560796 0.654042 Ni\n0.183038 0.439204 0.345958 Ni\n0.313518 0.059010 0.655185 Ni\n0.686482 0.940990 0.344815 Ni\n0.949674 0.701569 0.427001 P\n0.445108 0.194428 0.423488 P\n0.050326 0.298431 0.572999 P\n0.554892 0.805572 0.576512 P\n0.980820 0.728240 0.925705 C\n0.019180 0.271760 0.074295 C\n0.481019 0.233454 0.925285 C\n0.518981 0.766546 0.074715 C\n0.431755 0.676880 0.937352 O\n0.662936 0.725343 0.674408 O\n0.593991 0.343144 0.572153 O\n0.180117 0.422048 0.533053 O\n0.819883 0.577952 0.466947 O\n0.406009 0.656856 0.427847 O\n0.036751 0.602422 0.334573 O\n0.337064 0.274657 0.325592 O\n0.518393 0.078944 0.327023 O\n0.475599 0.724469 0.177219 O\n0.973690 0.228229 0.173687 O\n0.160009 0.417298 0.135438 O\n0.659910 0.908923 0.130815 O\n0.568245 0.323120 0.062648 O\n0.937783 0.183850 0.935195 O\n0.839991 0.582702 0.864562 O\n0.340090 0.091077 0.869185 O\n0.524401 0.275531 0.822781 O\n0.026310 0.771771 0.826313 O\n0.963249 0.397578 0.665427 O\n0.160394 0.220535 0.674321 O\n0.481607 0.921056 0.672977 O\n0.094031 0.852925 0.574800 O\n0.686860 0.933372 0.538110 O\n0.313140 0.066628 0.461890 O\n0.905969 0.147075 0.425200 O\n0.839606 0.779465 0.325679 O\n0.062217 0.816150 0.064805 O\n",
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{
"id": "mp-632810",
"created_at": "2022-09-04T14:39:25.783809Z",
"structure_string": "Pr3 Ga10 Ni1\n1.0\n4.268016 0.000000 0.000000\n0.000000 4.319596 0.000000\n0.000000 0.000000 15.399241\nPr Ga Ni\n3 10 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.247070 Pr\n0.000000 0.000000 0.752930 Pr\n0.500000 0.500000 0.182911 Ga\n0.500000 0.500000 0.817089 Ga\n0.500000 0.500000 0.342022 Ga\n0.500000 0.500000 0.657978 Ga\n0.500000 0.000000 0.419132 Ga\n0.500000 0.000000 0.580868 Ga\n0.500000 0.000000 0.084829 Ga\n0.500000 0.000000 0.915171 Ga\n0.000000 0.500000 0.083696 Ga\n0.000000 0.500000 0.916304 Ga\n0.000000 0.000000 0.000000 Ni\n",
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{
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