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{
"id": "mp-1372295",
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"structure_string": "Li3 V4 O7 F5\n1.0\n-5.130969 0.000000 0.000000\n2.425408 4.772917 0.000000\n-0.189828 -2.761597 -8.449539\nLi V O F\n3 4 7 5\ndirect\n0.464305 0.761402 0.154073 Li\n0.934944 0.216822 0.655637 Li\n0.705890 0.494329 0.898451 Li\n0.492491 0.512025 0.503585 V\n0.069975 0.045464 0.000893 V\n0.795132 0.325638 0.263737 V\n0.238255 0.733895 0.760311 V\n0.066113 0.923299 0.817776 O\n0.572452 0.444982 0.313024 O\n0.437316 0.183141 0.066816 O\n0.995560 0.363275 0.869162 O\n0.991909 0.623510 0.125227 O\n0.051147 0.325669 0.429700 O\n0.415306 0.578633 0.682387 O\n0.519347 0.890855 0.359368 F\n0.933533 0.681494 0.570977 F\n0.559369 0.793416 0.944206 F\n0.903152 0.063603 0.174371 F\n0.511179 0.134173 0.629425 F\n",
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{
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"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-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",
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"formula_full": "Li4 Co2 Ni2 O8",
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{
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"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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{
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{
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"structure_string": "Pm2 Mg1 Cd1\n1.0\n0.000000 3.846431 3.846431\n3.846431 0.000000 3.846431\n3.846431 3.846431 0.000000\nPm Mg Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Cd\n",
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{
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"structure_string": "Li4 Ti5 Cr3 O16\n1.0\n2.963283 5.131106 0.000000\n-2.963283 5.131106 0.000000\n0.000000 0.016486 9.559964\nLi Ti Cr O\n4 5 3 16\ndirect\n0.335679 0.335679 0.105478 Li\n0.000935 0.000935 0.006859 Li\n0.000656 0.000656 0.503496 Li\n0.666308 0.666308 0.601649 Li\n0.826050 0.826050 0.276617 Ti\n0.656490 0.165359 0.781426 Ti\n0.332376 0.332376 0.502582 Ti\n0.165359 0.656490 0.781426 Ti\n0.659399 0.659399 0.008193 Ti\n0.170821 0.170821 0.788726 Cr\n0.829921 0.340349 0.288048 Cr\n0.340349 0.829921 0.288048 Cr\n0.663464 0.165646 0.404154 O\n0.480456 0.480456 0.658930 O\n0.337300 0.337300 0.896993 O\n0.001123 0.001123 0.691227 O\n0.998133 0.998133 0.193212 O\n0.165646 0.663464 0.404154 O\n0.483867 0.039891 0.660675 O\n0.039891 0.483867 0.660675 O\n0.832551 0.832551 0.902701 O\n0.168252 0.168252 0.405734 O\n0.963209 0.523774 0.158749 O\n0.523774 0.963209 0.158749 O\n0.672408 0.672408 0.396103 O\n0.829140 0.333594 0.904592 O\n0.522501 0.522501 0.158351 O\n0.333594 0.829140 0.904592 O\n",
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{
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{
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{
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"structure_string": "Ho1 Fe4 Cu3 O12\n1.0\n-3.730095 3.730095 3.730095\n3.730095 -3.730095 3.730095\n3.730095 3.730095 -3.730095\nHo Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.164211 0.857009 0.692797 O\n0.835789 0.142991 0.307203 O\n0.835789 0.528586 0.692797 O\n0.164211 0.471414 0.307203 O\n0.857009 0.692797 0.164211 O\n0.142991 0.307203 0.835789 O\n0.528586 0.692797 0.835789 O\n0.471414 0.307203 0.164211 O\n0.692797 0.164211 0.857009 O\n0.307203 0.835789 0.142991 O\n0.692797 0.835789 0.528586 O\n0.307203 0.164211 0.471414 O\n",
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"volume": 207.5963291099624,
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"formula_full": "Ho1 Fe4 Cu3 O12",
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{
"id": "mp-980392",
"created_at": "2022-09-04T14:39:34.330957Z",
"structure_string": "Tm1 Sc1 Hg2\n1.0\n0.000000 3.604301 3.604301\n3.604301 0.000000 3.604301\n3.604301 3.604301 0.000000\nTm Sc Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n",
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"elements": [
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"updated_at": "2021-11-28T01:34:26.537000Z",
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]
}