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{
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{
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"formula_full": "K8 V4 Cu4 S8",
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{
"id": "mp-8370",
"created_at": "2022-09-04T14:40:32.486293Z",
"structure_string": "Ni3 Ge1 C1\n1.0\n3.808709 0.000000 0.000000\n0.000000 3.808709 0.000000\n0.000000 0.000000 3.808709\nNi Ge C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 C\n",
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],
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"volume": 55.25013919271214,
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"formula_full": "Ni3 Ge1 C1",
"formula_reduced": "Ni3GeC",
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"spacegroup": 221
},
{
"id": "mp-862919",
"created_at": "2022-09-04T14:40:32.493724Z",
"structure_string": "Pm1 In1 Hg2\n1.0\n0.000000 3.705849 3.705849\n3.705849 0.000000 3.705849\n3.705849 3.705849 0.000000\nPm In Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n",
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{
"id": "mp-1227573",
"created_at": "2022-09-04T14:40:32.493945Z",
"structure_string": "Ca4 Mg1 Si8 Ni3 O24\n1.0\n4.493612 4.936128 0.000000\n-4.493612 4.936128 0.000000\n0.000000 2.914243 10.181448\nCa Mg Si Ni O\n4 1 8 3 24\ndirect\n0.298057 0.701943 0.500000 Ca\n0.297618 0.702382 0.000000 Ca\n0.701372 0.298363 0.249080 Ca\n0.701637 0.298628 0.750920 Ca\n0.908698 0.091302 0.500000 Mg\n0.807287 0.620276 0.490015 Si\n0.806688 0.620743 0.989812 Si\n0.379724 0.192713 0.509985 Si\n0.379257 0.193312 0.010188 Si\n0.193105 0.379202 0.259893 Si\n0.193473 0.379214 0.760001 Si\n0.620786 0.806527 0.239999 Si\n0.620798 0.806895 0.740107 Si\n0.908590 0.091410 0.000000 Ni\n0.091661 0.908187 0.249843 Ni\n0.091813 0.908339 0.750157 Ni\n0.971734 0.797304 0.446882 O\n0.971869 0.797452 0.946804 O\n0.202696 0.028266 0.553118 O\n0.202548 0.028131 0.053196 O\n0.027898 0.203102 0.303461 O\n0.028069 0.202588 0.803158 O\n0.797412 0.971931 0.196842 O\n0.796898 0.972102 0.696539 O\n0.888878 0.387882 0.535731 O\n0.889941 0.388831 0.035987 O\n0.612118 0.111122 0.464269 O\n0.611169 0.110059 0.964013 O\n0.110193 0.611300 0.213707 O\n0.110048 0.611145 0.713958 O\n0.388855 0.889952 0.286042 O\n0.388700 0.889807 0.786293 O\n0.667721 0.631008 0.372907 O\n0.667444 0.630509 0.872957 O\n0.369491 0.332556 0.127043 O\n0.368992 0.332279 0.627093 O\n0.332376 0.368978 0.377035 O\n0.332424 0.369058 0.877187 O\n0.631022 0.667624 0.622965 O\n0.630942 0.667576 0.122813 O\n",
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"elements": [
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],
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"density": 3.5638196007665086,
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"formula_full": "Ca4 Mg1 Si8 Ni3 O24",
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"spacegroup": 5
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{
"id": "mp-779470",
"created_at": "2022-09-04T14:40:32.537483Z",
"structure_string": "Ti34 N12 O48\n1.0\n-10.393689 0.000000 0.000000\n-0.978429 -10.666542 0.000000\n3.787195 3.549065 10.032294\nTi N O\n34 12 48\ndirect\n0.174565 0.354979 0.929290 Ti\n0.332453 0.481764 0.248972 Ti\n0.108927 0.428399 0.425826 Ti\n0.169729 0.516805 0.750494 Ti\n0.678939 0.351152 0.922159 Ti\n0.321061 0.648848 0.077841 Ti\n0.830271 0.483195 0.249506 Ti\n0.610160 0.429059 0.429086 Ti\n0.011917 0.693763 0.944320 Ti\n0.667547 0.518236 0.751028 Ti\n0.891073 0.571601 0.574174 Ti\n0.825435 0.645021 0.070710 Ti\n0.946098 0.764885 0.429820 Ti\n0.216431 0.898669 0.557255 Ti\n0.663593 0.816548 0.251397 Ti\n0.389840 0.570941 0.570914 Ti\n0.507211 0.689266 0.929385 Ti\n0.158750 0.973175 0.076970 Ti\n0.002622 0.848406 0.750613 Ti\n0.437642 0.765814 0.423081 Ti\n0.274639 0.089618 0.422270 Ti\n0.725361 0.910382 0.577730 Ti\n0.997378 0.151594 0.249387 Ti\n0.659913 0.978676 0.074305 Ti\n0.502487 0.854428 0.749532 Ti\n0.841250 0.026825 0.923030 Ti\n0.783569 0.101331 0.442745 Ti\n0.340087 0.021324 0.925695 Ti\n0.497513 0.145572 0.250468 Ti\n0.053902 0.235115 0.570180 Ti\n0.988083 0.306237 0.055680 Ti\n0.562358 0.234186 0.576919 Ti\n0.492789 0.310734 0.070615 Ti\n0.336407 0.183452 0.748603 Ti\n0.975073 0.341149 0.249916 N\n0.320512 0.665038 0.250030 N\n0.476331 0.339281 0.250377 N\n0.024927 0.658851 0.750084 N\n0.805734 0.671946 0.250012 N\n0.523669 0.660719 0.749623 N\n0.142827 0.021327 0.249490 N\n0.857173 0.978673 0.750510 N\n0.639894 0.006250 0.250784 N\n0.194266 0.328054 0.749988 N\n0.360106 0.993750 0.749216 N\n0.679488 0.334962 0.749970 N\n0.164889 0.390629 0.122638 O\n0.250907 0.476793 0.382567 O\n0.249917 0.523737 0.618759 O\n0.136668 0.542447 0.936846 O\n0.012433 0.418856 0.565163 O\n0.661813 0.391319 0.121242 O\n0.863332 0.457553 0.063154 O\n0.987567 0.581144 0.434837 O\n0.750083 0.476263 0.381241 O\n0.366285 0.457766 0.065213 O\n0.335219 0.923950 0.448471 O\n0.633715 0.542234 0.934787 O\n0.202825 0.790786 0.051073 O\n0.487846 0.581425 0.436453 O\n0.083183 0.811182 0.390503 O\n0.512154 0.418575 0.563547 O\n0.989270 0.717664 0.109641 O\n0.835111 0.609371 0.877362 O\n0.749093 0.523207 0.617433 O\n0.495609 0.722483 0.117298 O\n0.330502 0.054551 0.118285 O\n0.845550 0.749585 0.565788 O\n0.338187 0.608681 0.878758 O\n0.583232 0.807482 0.379347 O\n0.971786 0.875056 0.938423 O\n0.697653 0.792924 0.065011 O\n0.821573 0.916267 0.437368 O\n0.170256 0.946379 0.880379 O\n0.083476 0.857226 0.622138 O\n0.669498 0.945449 0.881715 O\n0.154450 0.250415 0.434212 O\n0.829744 0.053621 0.119621 O\n0.028214 0.124944 0.061577 O\n0.178427 0.083733 0.562632 O\n0.583968 0.855983 0.619730 O\n0.344521 0.750321 0.562885 O\n0.302347 0.207076 0.934989 O\n0.467860 0.874128 0.934805 O\n0.916524 0.142774 0.377862 O\n0.664781 0.076050 0.551529 O\n0.916817 0.188818 0.609497 O\n0.010730 0.282336 0.890359 O\n0.797175 0.209214 0.948927 O\n0.655479 0.249679 0.437115 O\n0.532140 0.125872 0.065195 O\n0.416032 0.144017 0.380270 O\n0.416768 0.192518 0.620653 O\n0.504391 0.277517 0.882702 O\n",
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{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000126 0.000018 6.021928\n7.828512 0.000404 -0.000161\n-3.913952 7.755305 0.000106\nLi Mn P O\n4 4 4 16\ndirect\n0.765098 0.263903 0.530160 Li\n0.265050 0.266567 0.530203 Li\n0.265050 0.733453 0.469806 Li\n0.765094 0.736088 0.469832 Li\n0.013763 0.290318 0.193220 Mn\n0.013711 0.709736 0.806806 Mn\n0.513785 0.097096 0.806605 Mn\n0.513777 0.902845 0.193380 Mn\n0.017115 0.077842 0.741720 P\n0.517070 0.663992 0.741901 P\n0.517100 0.336005 0.258100 P\n0.017110 0.922161 0.258279 P\n0.023852 0.137570 0.935294 O\n0.523819 0.202193 0.064537 O\n0.523844 0.797820 0.935463 O\n0.023854 0.862440 0.064707 O\n0.801239 0.152519 0.693899 O\n0.301146 0.541552 0.694074 O\n0.301206 0.458477 0.305963 O\n0.801227 0.847476 0.306094 O\n0.230601 0.150644 0.688989 O\n0.730552 0.538481 0.689170 O\n0.730600 0.461506 0.310816 O\n0.230573 0.849326 0.310993 O\n0.514942 0.207486 0.356095 O\n0.014944 0.148657 0.356170 O\n0.014917 0.851345 0.643828 O\n0.514927 0.792502 0.643898 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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{
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"created_at": "2022-09-04T14:40:32.506801Z",
"structure_string": "Sr3 Co2 S2 O5\n1.0\n-1.995022 1.995022 11.311808\n1.995022 -1.995022 11.311808\n1.995022 1.995022 -11.311808\nSr Co S O\n3 2 2 5\ndirect\n0.500000 0.500000 0.000000 Sr\n0.659175 0.659175 0.000000 Sr\n0.340825 0.340825 0.000000 Sr\n0.084383 0.084383 0.000000 Co\n0.915617 0.915617 0.000000 Co\n0.191184 0.191184 0.000000 S\n0.808816 0.808816 0.000000 S\n0.585023 0.085023 0.500000 O\n0.085023 0.585023 0.500000 O\n0.414977 0.914977 0.500000 O\n0.914977 0.414977 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"formula_full": "Ti16 Mn8 O4",
"formula_reduced": "Ti4Mn2O",
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{
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"structure_string": "Mn1 Al1\n1.0\n2.753065 0.000000 0.000000\n0.000000 2.753065 0.000000\n0.000000 0.000000 3.499926\nMn Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n",
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"elements": [
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"updated_at": "2021-11-28T01:34:54.651000Z",
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},
{
"id": "mp-1194309",
"created_at": "2022-09-04T14:40:32.554393Z",
"structure_string": "Ca2 Al4 Si4 O20\n1.0\n2.958035 -4.393875 0.000000\n2.958035 4.393875 0.000000\n0.000000 0.000000 12.956622\nCa Al Si O\n2 4 4 20\ndirect\n0.664890 0.335110 0.750000 Ca\n0.335110 0.664890 0.250000 Ca\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.022087 0.977913 0.868637 Si\n0.977913 0.022087 0.131363 Si\n0.022087 0.977913 0.631363 Si\n0.977913 0.022087 0.368637 Si\n0.950758 0.049242 0.750000 O\n0.049242 0.950758 0.250000 O\n0.353285 0.101011 0.882155 O\n0.101011 0.353285 0.117845 O\n0.353285 0.101011 0.617845 O\n0.101011 0.353285 0.382155 O\n0.646715 0.898989 0.117845 O\n0.898989 0.646715 0.882155 O\n0.646715 0.898989 0.382155 O\n0.898989 0.646715 0.617845 O\n0.863183 0.136817 0.936311 O\n0.136817 0.863183 0.063689 O\n0.863183 0.136817 0.563689 O\n0.136817 0.863183 0.436311 O\n0.364138 0.635862 0.946950 O\n0.635862 0.364138 0.053050 O\n0.364138 0.635862 0.553050 O\n0.635862 0.364138 0.446950 O\n0.384510 0.615490 0.750000 O\n0.615490 0.384510 0.250000 O\n",
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"elements": [
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],
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"formula_full": "Ca2 Al4 Si4 O20",
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"updated_at": "2021-11-28T01:34:56.878000Z",
"spacegroup": 63
},
{
"id": "mp-1519593",
"created_at": "2022-09-04T14:40:32.566398Z",
"structure_string": "Na1 Sr1 Sm1 Mn1 O6\n1.0\n0.000000 -4.158221 -4.158221\n4.158221 0.000000 -4.158221\n4.158221 -4.158221 0.000000\nNa Sr Sm Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.771943 0.228057 0.228057 O\n0.228057 0.771943 0.771943 O\n0.771943 0.228057 0.771943 O\n0.228057 0.771943 0.228057 O\n0.771943 0.771943 0.228057 O\n0.228057 0.228057 0.771943 O\n",
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"formula_full": "Na1 Sr1 Sm1 Mn1 O6",
"formula_reduced": "NaSrSmMnO6",
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]
}