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{
"id": "mp-27796",
"created_at": "2022-09-04T14:47:57.208824Z",
"structure_string": "Li8 H10 Rh2\n1.0\n1.946877 -4.634823 0.000000\n1.946877 4.634823 0.000000\n0.000000 0.000000 9.292369\nLi H Rh\n8 10 2\ndirect\n0.579297 0.420703 0.385411 Li\n0.869527 0.130473 0.408137 Li\n0.869527 0.130473 0.091863 Li\n0.130473 0.869527 0.908137 Li\n0.420703 0.579297 0.614589 Li\n0.420703 0.579297 0.885411 Li\n0.579297 0.420703 0.114589 Li\n0.130473 0.869527 0.591863 Li\n0.733316 0.266684 0.250000 H\n0.266684 0.733316 0.750000 H\n0.635716 0.364284 0.609094 H\n0.364284 0.635716 0.390906 H\n0.364284 0.635716 0.109094 H\n0.635716 0.364284 0.890906 H\n0.904171 0.095829 0.620093 H\n0.095829 0.904171 0.379907 H\n0.904171 0.095829 0.879907 H\n0.095829 0.904171 0.120093 H\n0.232115 0.767885 0.250000 Rh\n0.767885 0.232115 0.750000 Rh\n",
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{
"id": "mp-705640",
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"structure_string": "Li20 Co21 O40\n1.0\n14.457207 -0.034492 24.932870\n5.776783 4.704957 13.294541\n0.008569 -0.002819 9.968201\nLi Co O\n20 21 40\ndirect\n0.997708 0.005461 0.001111 Li\n0.096962 0.003385 0.002089 Li\n0.198001 0.998168 0.998995 Li\n0.248650 0.043191 0.040480 Li\n0.379849 0.048871 0.045182 Li\n0.193204 0.518741 0.995608 Li\n0.505410 0.996375 0.996634 Li\n0.603983 0.994335 0.989015 Li\n0.395515 0.516083 0.989160 Li\n0.705935 0.996329 0.991440 Li\n0.092173 0.001997 0.518483 Li\n0.803046 0.989090 0.999296 Li\n0.657691 0.369604 0.031213 Li\n0.907921 0.989265 0.997071 Li\n0.295954 0.000311 0.517427 Li\n0.799938 0.497899 0.003556 Li\n0.518948 0.041969 0.366357 Li\n0.990649 0.516625 0.998977 Li\n0.700665 0.988238 0.515515 Li\n0.898522 0.004088 0.499900 Li\n0.097472 0.503134 0.002868 Co\n0.196948 0.004614 0.502952 Co\n0.098822 0.503014 0.497533 Co\n0.396322 0.006426 0.498102 Co\n0.298748 0.502831 0.998270 Co\n0.199057 0.501890 0.497906 Co\n0.298249 0.503290 0.500402 Co\n0.600045 0.001293 0.498232 Co\n0.496709 0.503837 0.002577 Co\n0.397574 0.504514 0.500048 Co\n0.499904 0.499686 0.502068 Co\n0.701632 0.494316 0.005652 Co\n0.800014 0.999181 0.502388 Co\n0.598759 0.501016 0.502744 Co\n0.702450 0.496560 0.497052 Co\n0.902726 0.497047 0.997188 Co\n0.449981 0.874128 0.876702 Co\n0.003004 0.996464 0.496505 Co\n0.804632 0.492500 0.497555 Co\n0.899322 0.499332 0.503182 Co\n0.998146 0.502738 0.501663 Co\n0.094130 0.262357 0.263437 O\n0.004153 0.261118 0.718509 O\n0.183304 0.265741 0.265045 O\n0.087903 0.283477 0.734642 O\n0.293930 0.264603 0.257904 O\n0.200214 0.267776 0.716169 O\n0.113301 0.717350 0.259620 O\n0.385122 0.264686 0.257680 O\n0.014418 0.736879 0.738315 O\n0.283911 0.286907 0.741487 O\n0.197414 0.735539 0.281634 O\n0.104461 0.736902 0.742859 O\n0.486796 0.281831 0.246687 O\n0.391501 0.281525 0.728442 O\n0.308751 0.721057 0.266068 O\n0.582142 0.281460 0.249679 O\n0.210159 0.745271 0.739311 O\n0.391373 0.744482 0.289432 O\n0.485654 0.286327 0.737384 O\n0.303332 0.741343 0.739361 O\n0.695975 0.256432 0.268668 O\n0.603400 0.261230 0.718509 O\n0.512779 0.716544 0.263815 O\n0.786363 0.259906 0.265455 O\n0.410325 0.744296 0.737684 O\n0.586929 0.755943 0.275386 O\n0.683298 0.275400 0.754756 O\n0.488228 0.760323 0.751124 O\n0.910734 0.243377 0.243403 O\n0.816777 0.237395 0.724166 O\n0.718137 0.724390 0.242128 O\n0.990720 0.256205 0.257868 O\n0.619067 0.712245 0.756170 O\n0.887892 0.279146 0.743233 O\n0.806360 0.722362 0.274999 O\n0.710208 0.721926 0.755342 O\n0.911611 0.719300 0.261967 O\n0.813210 0.739497 0.738861 O\n0.994407 0.741909 0.281667 O\n0.905801 0.739888 0.734253 O\n",
"nsites": 81,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.930094571841251,
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"volume": 679.155228987725,
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"formula_full": "Li20 Co21 O40",
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"energy": -522.55778188,
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"updated_at": "2021-11-28T01:37:55.112000Z",
"spacegroup": 1
},
{
"id": "mp-1009009",
"created_at": "2022-09-04T14:45:10.068433Z",
"structure_string": "Li1 F1\n1.0\n2.559533 0.000000 0.000000\n0.000000 2.559533 0.000000\n0.000000 0.000000 2.559533\nLi F\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 F\n",
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"elements": [
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"F"
],
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"volume": 16.768036081221673,
"volume_molar": 5.048973677493786,
"formula_full": "Li1 F1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:36:49.475000Z",
"spacegroup": 221
},
{
"id": "mp-532301",
"created_at": "2022-09-04T14:45:26.675721Z",
"structure_string": "Li20 Co21 O42\n1.0\n8.581430 0.000000 0.000000\n-3.853910 8.705456 0.000000\n-3.327569 -2.878340 9.311145\nLi Co O\n20 21 42\ndirect\n0.142893 0.571519 0.142879 Li\n0.368572 0.184271 0.046189 Li\n0.276429 0.138168 0.276322 Li\n0.524725 0.762759 0.190276 Li\n0.430013 0.715068 0.429798 Li\n0.760479 0.380310 0.094976 Li\n0.665109 0.332774 0.332797 Li\n0.569987 0.284932 0.570202 Li\n0.907923 0.953983 0.230478 Li\n0.809994 0.905220 0.476206 Li\n0.723571 0.861832 0.723678 Li\n0.047719 0.523769 0.380899 Li\n0.952281 0.476231 0.619101 Li\n0.857107 0.428481 0.857121 Li\n0.190006 0.094780 0.523794 Li\n0.092077 0.046017 0.769522 Li\n0.334891 0.667226 0.667203 Li\n0.239521 0.619690 0.905024 Li\n0.475275 0.237241 0.809724 Li\n0.631428 0.815729 0.953811 Li\n0.260821 0.881167 0.094882 Co\n0.404844 0.454086 0.238348 Co\n0.642196 0.072572 0.142850 Co\n0.547213 0.024121 0.380706 Co\n0.881344 0.691090 0.047398 Co\n0.785909 0.643343 0.285799 Co\n0.690674 0.595636 0.524021 Co\n0.023613 0.261384 0.189727 Co\n0.928286 0.214389 0.428224 Co\n0.833058 0.167957 0.666498 Co\n0.166942 0.832043 0.333502 Co\n0.071714 0.785611 0.571776 Co\n0.976387 0.738616 0.810273 Co\n0.309326 0.404364 0.475979 Co\n0.214091 0.356657 0.714201 Co\n0.118656 0.308910 0.952602 Co\n0.452787 0.975879 0.619294 Co\n0.357804 0.927428 0.857150 Co\n0.595156 0.545914 0.761652 Co\n0.500000 0.500000 0.000000 Co\n0.739179 0.118833 0.905118 Co\n0.202639 0.248425 0.122299 O\n0.438838 0.861272 0.025463 O\n0.343205 0.812849 0.263236 O\n0.324485 0.521295 0.070178 O\n0.580235 0.433080 0.168093 O\n0.485248 0.385497 0.405450 O\n0.464252 0.091537 0.213221 O\n0.815466 0.054646 0.073972 O\n0.723158 0.004550 0.310176 O\n0.628925 0.957184 0.548755 O\n0.705440 0.710872 0.117680 O\n0.611989 0.665603 0.357395 O\n0.961192 0.621751 0.215463 O\n0.866283 0.575416 0.453437 O\n0.771046 0.526548 0.691003 O\n0.943119 0.330028 0.022709 O\n0.847747 0.282901 0.260934 O\n0.751731 0.235334 0.497237 O\n0.103982 0.193892 0.357469 O\n0.008283 0.146665 0.596166 O\n0.912562 0.103204 0.831894 O\n0.087438 0.896796 0.168106 O\n0.991717 0.853335 0.403834 O\n0.896018 0.806108 0.642531 O\n0.248269 0.764666 0.502763 O\n0.152253 0.717099 0.739066 O\n0.056881 0.669972 0.977291 O\n0.228954 0.473452 0.308997 O\n0.133717 0.424584 0.546563 O\n0.038808 0.378249 0.784537 O\n0.388011 0.334397 0.642605 O\n0.294560 0.289128 0.882320 O\n0.371075 0.042816 0.451245 O\n0.276842 0.995450 0.689824 O\n0.184534 0.945354 0.926028 O\n0.535748 0.908463 0.786779 O\n0.514752 0.614503 0.594550 O\n0.419765 0.566920 0.831907 O\n0.675515 0.478705 0.929822 O\n0.656795 0.187151 0.736764 O\n0.561162 0.138728 0.974537 O\n0.797361 0.751575 0.877701 O\n",
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"elements": [
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"volume": 695.5915200603326,
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"formula_full": "Li20 Co21 O42",
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"spacegroup": 2
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{
"id": "mp-11270",
"created_at": "2022-09-04T14:43:57.998021Z",
"structure_string": "Mn4 Be8\n1.0\n2.072233 -3.589213 0.000000\n2.072233 3.589213 0.000000\n0.000000 0.000000 6.759455\nMn Be\n4 8\ndirect\n0.333333 0.666667 0.060630 Mn\n0.666667 0.333333 0.560630 Mn\n0.666667 0.333333 0.939370 Mn\n0.333333 0.666667 0.439370 Mn\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.829886 0.659771 0.250000 Be\n0.170114 0.829886 0.750000 Be\n0.659771 0.829886 0.750000 Be\n0.340229 0.170114 0.250000 Be\n0.829886 0.170114 0.250000 Be\n0.170114 0.340229 0.750000 Be\n",
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{
"id": "mp-1201190",
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"structure_string": "Ga4 H36 N12 F12\n1.0\n0.000000 7.429029 0.000000\n-0.007725 0.000000 8.301243\n8.695308 0.000000 -0.079670\nGa H N F\n4 36 12 12\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.335615 0.394373 0.492121 H\n0.835615 0.105627 0.507879 H\n0.664385 0.605627 0.507879 H\n0.164385 0.894373 0.492121 H\n0.336634 0.592707 0.467864 H\n0.836634 0.907293 0.532136 H\n0.663366 0.407293 0.532136 H\n0.163366 0.092707 0.467864 H\n0.287187 0.472505 0.322159 H\n0.787187 0.027495 0.677841 H\n0.712813 0.527495 0.677841 H\n0.212813 0.972505 0.322159 H\n0.581202 0.203039 0.275728 H\n0.081202 0.296961 0.724272 H\n0.418798 0.796961 0.724272 H\n0.918798 0.703039 0.275728 H\n0.680168 0.024858 0.243396 H\n0.180168 0.475142 0.756604 H\n0.319832 0.975142 0.756604 H\n0.819832 0.524858 0.243396 H\n0.461918 0.050727 0.206349 H\n0.961918 0.449273 0.793651 H\n0.538082 0.949273 0.793651 H\n0.038082 0.550727 0.206349 H\n0.968920 0.224710 0.208764 H\n0.468920 0.275290 0.791236 H\n0.031080 0.775290 0.791236 H\n0.531080 0.724710 0.208764 H\n0.871173 0.287655 0.049406 H\n0.371173 0.212345 0.950594 H\n0.128827 0.712345 0.950594 H\n0.628827 0.787655 0.049406 H\n0.092039 0.297489 0.067582 H\n0.592040 0.202511 0.932418 H\n0.907960 0.702511 0.932418 H\n0.407961 0.797489 0.067582 H\n0.270233 0.488377 0.439358 N\n0.770233 0.011623 0.560642 N\n0.729767 0.511623 0.560642 N\n0.229767 0.988377 0.439358 N\n0.563848 0.080003 0.281842 N\n0.063848 0.419997 0.718158 N\n0.436152 0.919997 0.718158 N\n0.936152 0.580003 0.281842 N\n0.980895 0.227158 0.090444 N\n0.480895 0.272842 0.909556 N\n0.019105 0.772842 0.909556 N\n0.519105 0.727158 0.090444 N\n0.529598 0.774880 0.427160 F\n0.029598 0.725120 0.572840 F\n0.470402 0.225120 0.572840 F\n0.970402 0.274880 0.427160 F\n0.889508 0.915899 0.185696 F\n0.389508 0.584101 0.814304 F\n0.110492 0.084101 0.814304 F\n0.610492 0.415899 0.185696 F\n0.242145 0.981017 0.092912 F\n0.742145 0.518983 0.907088 F\n0.757855 0.018983 0.907088 F\n0.257855 0.481017 0.092912 F\n",
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"elements": [
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"volume": 536.2365936900186,
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"formula_full": "Ga4 H36 N12 F12",
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{
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