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{
"id": "mp-1219186",
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{
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"spacegroup": 150
},
{
"id": "mp-1181713",
"created_at": "2022-09-04T14:43:08.950215Z",
"structure_string": "Cr1 Cd1 Cu3 Se4\n1.0\n5.848139 0.000000 0.000000\n0.000000 5.848139 0.000000\n0.000000 0.000000 5.848139\nCr Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236516 0.236516 0.236516 Se\n0.763484 0.763484 0.236516 Se\n0.236516 0.763484 0.763484 Se\n0.763484 0.236516 0.763484 Se\n",
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"volume": 200.0106215573383,
"volume_molar": 13.383245739037575,
"formula_full": "Cr1 Cd1 Cu3 Se4",
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"formula_anonymous": "ABC3D4",
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},
{
"id": "mp-13207",
"created_at": "2022-09-04T14:43:08.958722Z",
"structure_string": "Ce2 Zn2 P2 O2\n1.0\n10.395954 -1.992980 0.000000\n10.395954 1.992980 0.000000\n10.013886 0.000000 3.430733\nCe Zn P O\n2 2 2 2\ndirect\n0.618964 0.618964 0.618964 Ce\n0.381036 0.381036 0.381036 Ce\n0.196093 0.196093 0.196093 Zn\n0.803907 0.803907 0.803907 Zn\n0.113694 0.113694 0.113694 P\n0.886306 0.886306 0.886306 P\n0.695018 0.695018 0.695018 O\n0.304982 0.304982 0.304982 O\n",
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"formula_full": "Ce2 Zn2 P2 O2",
"formula_reduced": "CeZnPO",
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"updated_at": "2021-11-28T01:36:09.023000Z",
"spacegroup": 166
},
{
"id": "mp-1204628",
"created_at": "2022-09-04T14:43:09.065079Z",
"structure_string": "Na12 Hf2 H2 S10 O42\n1.0\n11.068756 0.000000 0.000000\n0.000000 8.788874 0.000000\n0.000000 1.238111 10.752227\nNa Hf H S O\n12 2 2 10 42\ndirect\n0.674346 0.058169 0.507816 Na\n0.174346 0.941831 0.492184 Na\n0.321484 0.476108 0.051429 Na\n0.821484 0.523892 0.948571 Na\n0.996797 0.589656 0.468361 Na\n0.496797 0.410344 0.531639 Na\n0.557602 0.137647 0.072918 Na\n0.057602 0.862353 0.927082 Na\n0.660228 0.673220 0.712714 Na\n0.160228 0.326780 0.287286 Na\n0.950784 0.961656 0.242445 Na\n0.450784 0.038344 0.757555 Na\n0.985616 0.228169 0.730856 Hf\n0.485616 0.771831 0.269144 Hf\n0.940321 0.528386 0.714037 H\n0.440321 0.471614 0.285963 H\n0.224753 0.299851 0.626140 S\n0.724753 0.700149 0.373860 S\n0.681748 0.259517 0.781855 S\n0.181748 0.740483 0.218145 S\n0.930071 0.212582 0.413667 S\n0.430071 0.787418 0.586333 S\n0.919931 0.839434 0.689927 S\n0.419931 0.160566 0.310073 S\n0.050093 0.247111 0.993207 S\n0.550093 0.752889 0.006793 S\n0.155369 0.385351 0.718449 O\n0.655369 0.614649 0.281551 O\n0.148489 0.155367 0.629364 O\n0.648489 0.844633 0.370636 O\n0.225272 0.386996 0.502972 O\n0.725272 0.613004 0.497028 O\n0.347150 0.264090 0.673518 O\n0.847150 0.735910 0.326482 O\n0.807233 0.188160 0.795020 O\n0.307233 0.811840 0.204980 O\n0.637435 0.251479 0.654306 O\n0.137435 0.748521 0.345694 O\n0.601554 0.167108 0.871491 O\n0.101554 0.832892 0.128509 O\n0.689856 0.418918 0.813159 O\n0.189856 0.581082 0.186841 O\n0.910814 0.195994 0.553102 O\n0.410814 0.804006 0.446898 O\n0.031997 0.112139 0.383909 O\n0.531997 0.887861 0.616091 O\n0.960586 0.373329 0.369007 O\n0.460586 0.626671 0.630993 O\n0.818216 0.160906 0.356709 O\n0.318216 0.839094 0.643291 O\n0.974715 0.974276 0.745614 O\n0.474715 0.025724 0.254386 O\n0.999696 0.799704 0.589286 O\n0.499696 0.200296 0.410714 O\n0.918249 0.710955 0.794921 O\n0.418249 0.289045 0.205079 O\n0.796643 0.875427 0.645768 O\n0.296643 0.124573 0.354232 O\n0.079799 0.130955 0.901476 O\n0.579799 0.869045 0.098524 O\n0.981019 0.364948 0.906781 O\n0.481019 0.635052 0.093219 O\n0.972513 0.176641 0.092738 O\n0.472513 0.823359 0.907262 O\n0.160851 0.311376 0.039921 O\n0.660851 0.688624 0.960079 O\n0.939368 0.446292 0.659096 O\n0.439368 0.553708 0.340904 O\n",
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"formula_full": "Na12 Hf2 H2 S10 O42",
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{
"id": "mp-770628",
"created_at": "2022-09-04T14:43:08.981281Z",
"structure_string": "Li8 Cr4 O12\n1.0\n5.015923 -0.000089 0.888671\n-2.508023 4.320311 -0.444157\n-0.119343 -0.000035 9.760638\nLi Cr O\n8 4 12\ndirect\n0.167682 0.842981 0.499013 Li\n0.999124 0.498840 0.999841 Li\n0.084244 0.167930 0.749780 Li\n0.499743 0.500696 0.500015 Li\n0.323931 0.157451 0.998955 Li\n0.676137 0.841981 0.001005 Li\n0.915383 0.832053 0.250361 Li\n0.833161 0.157489 0.500861 Li\n0.412892 0.825430 0.750220 Cr\n0.245734 0.491916 0.249820 Cr\n0.754307 0.508304 0.750017 Cr\n0.587023 0.174602 0.250036 Cr\n0.037573 0.806009 0.864484 O\n0.129160 0.531249 0.637457 O\n0.401974 0.530494 0.862567 O\n0.310303 0.831856 0.138721 O\n0.231637 0.194386 0.364486 O\n0.521725 0.832077 0.361249 O\n0.478471 0.168074 0.638849 O\n0.768605 0.806165 0.635854 O\n0.689874 0.168009 0.861278 O\n0.597875 0.468525 0.137104 O\n0.871247 0.469664 0.362405 O\n0.962194 0.193820 0.135624 O\n",
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{
"id": "mp-1239188",
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"structure_string": "Ta4 Cr12 Ag8 S32\n1.0\n11.576976 0.221814 0.000000\n0.136557 7.281714 0.000000\n0.000000 0.000000 12.276034\nTa Cr Ag S\n4 12 8 32\ndirect\n0.098508 0.910964 0.687511 Ta\n0.901492 0.089036 0.187511 Ta\n0.385545 0.393683 0.831502 Ta\n0.614455 0.606317 0.331502 Ta\n0.380398 0.865953 0.195844 Cr\n0.619602 0.134047 0.695844 Cr\n0.127566 0.365592 0.327163 Cr\n0.872434 0.634408 0.827163 Cr\n0.163615 0.625030 0.939742 Cr\n0.836385 0.374970 0.439742 Cr\n0.340438 0.622139 0.445711 Cr\n0.659562 0.377861 0.945711 Cr\n0.135711 0.143958 0.991202 Cr\n0.864289 0.856042 0.491202 Cr\n0.358701 0.113815 0.495465 Cr\n0.641299 0.886185 0.995465 Cr\n0.102534 0.374351 0.669340 Ag\n0.897466 0.625649 0.169340 Ag\n0.407214 0.361379 0.173568 Ag\n0.592786 0.638621 0.673568 Ag\n0.117955 0.876623 0.324986 Ag\n0.882045 0.123377 0.824986 Ag\n0.382299 0.880291 0.821154 Ag\n0.617701 0.119709 0.321154 Ag\n0.020710 0.842066 0.876766 S\n0.979290 0.157934 0.376766 S\n0.468681 0.852597 0.378917 S\n0.531319 0.147403 0.878917 S\n0.040674 0.325479 0.146117 S\n0.959326 0.674521 0.646117 S\n0.459862 0.341941 0.648579 S\n0.540138 0.658059 0.148579 S\n0.024092 0.410225 0.882822 S\n0.975908 0.589775 0.382822 S\n0.483825 0.401840 0.398418 S\n0.516175 0.598160 0.898418 S\n0.034309 0.880676 0.122860 S\n0.965691 0.119324 0.622860 S\n0.478041 0.937889 0.632285 S\n0.521959 0.062111 0.132285 S\n0.223236 0.870583 0.532998 S\n0.776764 0.129417 0.032998 S\n0.275358 0.875973 0.021940 S\n0.724642 0.124027 0.521940 S\n0.226163 0.375768 0.499021 S\n0.773837 0.624232 0.999021 S\n0.277978 0.368470 0.003191 S\n0.722022 0.631530 0.503191 S\n0.213437 0.114163 0.802476 S\n0.786563 0.885837 0.302476 S\n0.281079 0.127766 0.303990 S\n0.718921 0.872234 0.803990 S\n0.242242 0.612770 0.766216 S\n0.757758 0.387230 0.266216 S\n0.262259 0.613840 0.274220 S\n0.737742 0.386160 0.774220 S\n",
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"formula_full": "Ta4 Cr12 Ag8 S32",
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{
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{
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"formula_full": "Ca20 Si8 C8 O52",
"formula_reduced": "Ca5Si2C2O13",
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{
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{
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{
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"structure_string": "Gd2 Ti2 Ge2\n1.0\n-2.038488 2.038488 7.853708\n2.038488 -2.038488 7.853708\n2.038488 2.038488 -7.853708\nGd Ti Ge\n2 2 2\ndirect\n0.675434 0.675434 0.000000 Gd\n0.324566 0.324566 0.000000 Gd\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.119594 0.119594 0.000000 Ge\n0.880406 0.880406 0.000000 Ge\n",
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}