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{
"id": "mp-774539",
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"structure_string": "Li4 Ti8 P12 O48\n1.0\n8.617420 0.000000 0.000000\n0.013676 8.681403 0.000000\n0.102498 0.012456 11.998352\nLi Ti P O\n4 8 12 48\ndirect\n0.299412 0.721785 0.680903 Li\n0.201436 0.222243 0.820169 Li\n0.079722 0.298468 0.237407 Li\n0.069755 0.917896 0.298014 Li\n0.752346 0.531112 0.620875 Ti\n0.747886 0.032978 0.877587 Ti\n0.746906 0.466647 0.118511 Ti\n0.739985 0.967751 0.383038 Ti\n0.246861 0.040770 0.611044 Ti\n0.251423 0.540710 0.890227 Ti\n0.263330 0.965799 0.111433 Ti\n0.258401 0.475470 0.386141 Ti\n0.964076 0.249352 0.492097 P\n0.896219 0.384661 0.855363 P\n0.892687 0.105359 0.143261 P\n0.603147 0.883458 0.646253 P\n0.610022 0.609592 0.356623 P\n0.537271 0.747813 0.003179 P\n0.470407 0.253363 0.994011 P\n0.397099 0.391168 0.647438 P\n0.392095 0.116269 0.351117 P\n0.103490 0.892444 0.854510 P\n0.100906 0.616301 0.149354 P\n0.032240 0.751277 0.506724 P\n0.951211 0.865193 0.428086 O\n0.926390 0.891093 0.859693 O\n0.923155 0.679672 0.593106 O\n0.927536 0.583562 0.163262 O\n0.893735 0.372284 0.569185 O\n0.870147 0.211445 0.829966 O\n0.847419 0.422870 0.975076 O\n0.848007 0.991665 0.237884 O\n0.850046 0.272825 0.176427 O\n0.835378 0.155453 0.437363 O\n0.822382 0.058274 0.032834 O\n0.810040 0.490046 0.772945 O\n0.690943 0.990719 0.726209 O\n0.675463 0.559698 0.469313 O\n0.664415 0.658504 0.063071 O\n0.663032 0.773945 0.327647 O\n0.651862 0.922317 0.525679 O\n0.661327 0.495875 0.265017 O\n0.630220 0.711047 0.671207 O\n0.607596 0.871374 0.927218 O\n0.574852 0.178120 0.905753 O\n0.574180 0.389115 0.642063 O\n0.565201 0.082734 0.331727 O\n0.558714 0.363767 0.069409 O\n0.438864 0.637623 0.930262 O\n0.425847 0.910841 0.661243 O\n0.428357 0.608022 0.360895 O\n0.426246 0.821068 0.091436 O\n0.391862 0.130132 0.070525 O\n0.358623 0.287049 0.325046 O\n0.338279 0.512223 0.732961 O\n0.348606 0.081141 0.474671 O\n0.332267 0.231113 0.682020 O\n0.334256 0.335004 0.932596 O\n0.326310 0.436485 0.533455 O\n0.292589 0.008103 0.277515 O\n0.187724 0.501029 0.225840 O\n0.174529 0.938275 0.968296 O\n0.166164 0.833948 0.570363 O\n0.167573 0.732092 0.819685 O\n0.161775 0.013197 0.768532 O\n0.153476 0.585073 0.026979 O\n0.134569 0.785937 0.177957 O\n0.112554 0.628700 0.431369 O\n0.074387 0.411059 0.840109 O\n0.070533 0.318434 0.400394 O\n0.075068 0.105024 0.143787 O\n0.064172 0.140148 0.566749 O\n",
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],
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"formula_full": "Li4 Ti8 P12 O48",
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"spacegroup": 1
},
{
"id": "mp-755594",
"created_at": "2022-09-04T14:44:57.812788Z",
"structure_string": "Zn1 Re1 O4\n1.0\n3.274934 -3.363803 0.000000\n3.274934 3.363803 0.000000\n0.000000 0.000000 3.109690\nZn Re O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Re\n0.217522 0.217522 0.500000 O\n0.687063 0.312937 0.000000 O\n0.312937 0.687063 0.000000 O\n0.782478 0.782478 0.500000 O\n",
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{
"id": "mp-510328",
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"structure_string": "Na4 Cu20 C24\n1.0\n7.212225 0.000000 0.000000\n0.000000 7.374015 0.000000\n0.000000 0.000000 10.880646\nNa Cu C\n4 20 24\ndirect\n0.321328 0.059844 0.750000 Na\n0.821328 0.440156 0.250000 Na\n0.178672 0.559844 0.750000 Na\n0.678672 0.940156 0.250000 Na\n0.073700 0.098739 0.250000 Cu\n0.573700 0.401261 0.750000 Cu\n0.426300 0.598739 0.250000 Cu\n0.926300 0.901261 0.750000 Cu\n0.183070 0.052099 0.461130 Cu\n0.683070 0.447901 0.538870 Cu\n0.316930 0.552099 0.038870 Cu\n0.816930 0.947901 0.961130 Cu\n0.816930 0.947901 0.538870 Cu\n0.316930 0.552099 0.461130 Cu\n0.683070 0.447901 0.961130 Cu\n0.183070 0.052099 0.038870 Cu\n0.490968 0.195228 0.448179 Cu\n0.990968 0.304772 0.551821 Cu\n0.009032 0.695228 0.051821 Cu\n0.509032 0.804772 0.948179 Cu\n0.509032 0.804772 0.551821 Cu\n0.009032 0.695228 0.448179 Cu\n0.990968 0.304772 0.948179 Cu\n0.490968 0.195228 0.051821 Cu\n0.760135 0.196405 0.061973 C\n0.260135 0.303595 0.938027 C\n0.739865 0.696405 0.438027 C\n0.239865 0.803595 0.561973 C\n0.239865 0.803595 0.938027 C\n0.739865 0.696405 0.061973 C\n0.260135 0.303595 0.561973 C\n0.760135 0.196405 0.438027 C\n0.917297 0.138897 0.105869 C\n0.417297 0.361103 0.894131 C\n0.582703 0.638897 0.394131 C\n0.082703 0.861103 0.605869 C\n0.082703 0.861103 0.894131 C\n0.582703 0.638897 0.105869 C\n0.417297 0.361103 0.605869 C\n0.917297 0.138897 0.394131 C\n0.353682 0.085418 0.190862 C\n0.853682 0.414582 0.809138 C\n0.146318 0.585418 0.309138 C\n0.646318 0.914582 0.690862 C\n0.646318 0.914582 0.809138 C\n0.146318 0.585418 0.190862 C\n0.853682 0.414582 0.690862 C\n0.353682 0.085418 0.309138 C\n",
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},
{
"id": "mp-752850",
"created_at": "2022-09-04T14:44:57.823756Z",
"structure_string": "Li4 Ni4 O8\n1.0\n2.926009 5.008338 0.000000\n-2.926009 5.008338 0.000000\n0.000000 3.411599 4.788149\nLi Ni O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.765559 0.765559 0.742886 O\n0.779370 0.244038 0.725040 O\n0.750342 0.750342 0.287057 O\n0.755962 0.220630 0.274960 O\n0.244038 0.779370 0.725040 O\n0.249658 0.249658 0.712943 O\n0.220630 0.755962 0.274960 O\n0.234441 0.234441 0.257114 O\n",
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{
"id": "mp-631544",
"created_at": "2022-09-04T14:44:57.840570Z",
"structure_string": "Ba1 Si1 B1\n1.0\n0.000000 3.403255 3.403255\n3.403255 0.000000 3.403255\n3.403255 3.403255 0.000000\nBa Si B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 B\n",
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{
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"structure_string": "Ca4 Mn2 Al4 Si8 B2 O32\n1.0\n7.156296 0.001108 -1.066690\n-0.054300 0.013146 -9.056945\n2.066147 9.023705 -0.306720\nCa Mn Al Si B O\n4 2 4 8 2 32\ndirect\n0.244474 0.393759 0.659181 Ca\n0.755526 0.606241 0.340819 Ca\n0.817383 0.084811 0.902828 Ca\n0.182617 0.915189 0.097172 Ca\n0.233711 0.110902 0.403171 Mn\n0.766289 0.889098 0.596829 Mn\n0.950983 0.256664 0.193887 Al\n0.049017 0.743336 0.806113 Al\n0.653101 0.420809 0.061877 Al\n0.346899 0.579191 0.938123 Al\n0.789572 0.238760 0.548944 Si\n0.210428 0.761240 0.451056 Si\n0.779065 0.526513 0.724769 Si\n0.220935 0.473487 0.275231 Si\n0.296570 0.012456 0.743370 Si\n0.703430 0.987544 0.256630 Si\n0.357520 0.231725 0.979476 Si\n0.642480 0.768275 0.020524 Si\n0.540015 0.286267 0.366500 B\n0.459985 0.713733 0.633500 B\n0.944901 0.187392 0.395202 O\n0.055099 0.812608 0.604798 O\n0.769616 0.101078 0.663702 O\n0.230384 0.898922 0.336298 O\n0.579819 0.311855 0.513863 O\n0.420181 0.688145 0.486137 O\n0.865718 0.376290 0.621592 O\n0.134282 0.623710 0.378408 O\n0.976596 0.568071 0.753723 O\n0.023404 0.431929 0.246277 O\n0.670787 0.649474 0.620408 O\n0.329213 0.350526 0.379592 O\n0.618613 0.496263 0.872039 O\n0.381387 0.503737 0.127961 O\n0.460560 0.878678 0.654632 O\n0.539440 0.121322 0.345368 O\n0.120778 0.934007 0.845667 O\n0.879222 0.065993 0.154333 O\n0.225870 0.138439 0.632397 O\n0.774130 0.861561 0.367603 O\n0.393609 0.089367 0.862355 O\n0.606391 0.910633 0.137645 O\n0.562253 0.243670 0.018304 O\n0.437747 0.756330 0.981696 O\n0.284249 0.385920 0.898366 O\n0.715751 0.614080 0.101634 O\n0.209497 0.175495 0.127414 O\n0.790503 0.824505 0.872586 O\n0.674443 0.354032 0.255255 O\n0.325557 0.645968 0.744745 O\n0.897310 0.311847 0.008535 O\n0.102690 0.688153 0.991465 O\n",
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{
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{
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"structure_string": "Zn8 S8\n1.0\n25.179718 -1.927487 0.000000\n25.179718 1.927487 0.000000\n25.032170 0.000000 3.335243\nZn S\n8 8\ndirect\n0.708324 0.708324 0.708324 Zn\n0.416642 0.416642 0.416642 Zn\n0.999990 0.999990 0.999990 Zn\n0.124992 0.124992 0.124992 Zn\n0.249988 0.249988 0.249988 Zn\n0.499989 0.499989 0.499989 Zn\n0.874987 0.874987 0.874987 Zn\n0.624974 0.624974 0.624974 Zn\n0.843763 0.843763 0.843763 S\n0.385431 0.385431 0.385431 S\n0.093744 0.093744 0.093744 S\n0.218765 0.218765 0.218765 S\n0.468784 0.468784 0.468784 S\n0.677117 0.677117 0.677117 S\n0.593763 0.593763 0.593763 S\n0.968741 0.968741 0.968741 S\n",
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{
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"structure_string": "Mg15 Fe1\n1.0\n3.152430 -5.460169 0.000000\n3.152430 5.460169 0.000000\n0.000000 0.000000 9.939620\nMg Fe\n15 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.994852 0.497426 0.500000 Mg\n0.003544 0.501772 0.000000 Mg\n0.502574 0.497426 0.500000 Mg\n0.498228 0.501772 0.000000 Mg\n0.502574 0.005148 0.500000 Mg\n0.498228 0.996456 0.000000 Mg\n0.159292 0.318584 0.265849 Mg\n0.159292 0.318584 0.734151 Mg\n0.159292 0.840708 0.265849 Mg\n0.159292 0.840708 0.734151 Mg\n0.681416 0.840708 0.265849 Mg\n0.681416 0.840708 0.734151 Mg\n0.666667 0.333333 0.247196 Mg\n0.666667 0.333333 0.752804 Mg\n0.000000 0.000000 0.500000 Fe\n",
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{
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"formula_full": "Mg3 Mo12 Se16",
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{
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"structure_string": "Li4 Si4 Bi4 O16\n1.0\n4.885372 0.000000 0.000000\n0.000000 5.367492 0.000000\n0.000000 0.000000 12.485729\nLi Si Bi O\n4 4 4 16\ndirect\n0.000000 0.750000 0.236194 Li\n0.000000 0.250000 0.763806 Li\n0.500000 0.250000 0.263806 Li\n0.500000 0.750000 0.736194 Li\n0.000000 0.250000 0.384296 Si\n0.000000 0.750000 0.615704 Si\n0.500000 0.250000 0.884296 Si\n0.500000 0.750000 0.115704 Si\n0.000000 0.250000 0.100066 Bi\n0.000000 0.750000 0.899934 Bi\n0.500000 0.250000 0.600066 Bi\n0.500000 0.750000 0.399934 Bi\n0.162907 0.454835 0.308501 O\n0.162907 0.954835 0.691499 O\n0.255185 0.605262 0.045882 O\n0.255185 0.105262 0.954118 O\n0.244815 0.105262 0.454118 O\n0.244815 0.605262 0.545882 O\n0.337093 0.954835 0.191499 O\n0.337093 0.454835 0.808501 O\n0.662907 0.545165 0.191499 O\n0.662907 0.045165 0.808501 O\n0.755185 0.394738 0.454118 O\n0.755185 0.894738 0.545882 O\n0.744815 0.894738 0.045882 O\n0.744815 0.394738 0.954118 O\n0.837093 0.045165 0.308501 O\n0.837093 0.545165 0.691499 O\n",
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"formula_full": "Li4 Si4 Bi4 O16",
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{
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"structure_string": "Li2 Cu2 Si8 O19\n1.0\n2.466064 6.777926 0.000000\n-2.466064 6.777926 0.000000\n0.000000 3.955099 11.781751\nLi Cu Si O\n2 2 8 19\ndirect\n0.242499 0.549995 0.631510 Li\n0.450005 0.757501 0.368490 Li\n0.331761 0.271366 0.402706 Cu\n0.728634 0.668239 0.597294 Cu\n0.527234 0.230935 0.929477 Si\n0.126503 0.854998 0.168293 Si\n0.930626 0.928838 0.421829 Si\n0.660288 0.781254 0.829011 Si\n0.218746 0.339712 0.170989 Si\n0.071162 0.069374 0.578171 Si\n0.145002 0.873497 0.831707 Si\n0.769065 0.472766 0.070523 Si\n0.822551 0.144696 0.891678 O\n0.253616 0.580567 0.902379 O\n0.122342 0.879369 0.296423 O\n0.598279 0.249474 0.430040 O\n0.541180 0.073299 0.852179 O\n0.974562 0.660093 0.457349 O\n0.862515 0.675516 0.707929 O\n0.120361 0.633893 0.172233 O\n0.840766 0.527193 0.934996 O\n0.472807 0.159234 0.065004 O\n0.366107 0.879639 0.827767 O\n0.324484 0.137485 0.292071 O\n0.339907 0.025438 0.542651 O\n0.926701 0.458820 0.147821 O\n0.750526 0.401721 0.569960 O\n0.120631 0.877658 0.703577 O\n0.125781 0.874219 0.500000 O\n0.419433 0.746384 0.097621 O\n0.855304 0.177449 0.108322 O\n",
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],
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"formula_full": "Li2 Cu2 Si8 O19",
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]
}