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{
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"results": [
{
"id": "mp-1174584",
"created_at": "2022-09-04T14:44:07.987569Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.101146 0.000000 0.000000\n-1.862522 5.573821 0.000000\n-0.693637 -0.507947 8.565375\nLi Mn Co O\n8 2 4 14\ndirect\n0.854287 0.212772 0.711620 Li\n0.718344 0.928506 0.432871 Li\n0.281458 0.066951 0.576366 Li\n0.142425 0.785041 0.289061 Li\n0.571408 0.639639 0.143579 Li\n0.000371 0.501955 0.995053 Li\n0.432042 0.365991 0.852281 Li\n0.856929 0.713783 0.713344 Li\n0.998415 0.996717 0.996410 Mn\n0.287068 0.573406 0.573584 Mn\n0.714835 0.429003 0.429267 Co\n0.572660 0.144786 0.144407 Co\n0.427590 0.855735 0.855745 Co\n0.142991 0.285784 0.286685 Co\n0.157225 0.025255 0.803679 O\n0.003898 0.718963 0.501098 O\n0.545628 0.878447 0.647726 O\n0.407876 0.594714 0.360800 O\n0.836435 0.445409 0.219750 O\n0.263355 0.307857 0.078988 O\n0.716922 0.154862 0.938552 O\n0.559776 0.407683 0.625668 O\n0.449551 0.125045 0.347798 O\n0.019656 0.260135 0.494878 O\n0.878689 0.979782 0.209329 O\n0.282816 0.847261 0.061679 O\n0.710098 0.705978 0.930736 O\n0.167253 0.548540 0.779046 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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},
{
"id": "mp-756787",
"created_at": "2022-09-04T14:43:00.595796Z",
"structure_string": "Li3 Co1 Ni4 O8\n1.0\n2.878829 5.073360 0.000000\n-2.878829 5.073360 0.000000\n0.000000 3.325098 4.764199\nLi Co Ni O\n3 1 4 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.263542 0.737436 0.762281 O\n0.736458 0.262564 0.237719 O\n0.269882 0.269882 0.211810 O\n0.730118 0.730118 0.788190 O\n0.249645 0.249645 0.778727 O\n0.750355 0.750355 0.221273 O\n0.737436 0.263542 0.762281 O\n0.262564 0.736458 0.237719 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.280261907912341,
"density_atomic": 0.11497106226093523,
"volume": 139.1654533354387,
"volume_molar": 5.237962180720147,
"formula_full": "Li3 Co1 Ni4 O8",
"formula_reduced": "Li3Co(NiO2)4",
"formula_anonymous": "AB3C4D8",
"energy": -99.20981085,
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"updated_at": "2021-11-28T01:36:03.227000Z",
"spacegroup": 12
},
{
"id": "mp-1174494",
"created_at": "2022-09-04T14:41:05.516666Z",
"structure_string": "Li14 Co10 O24\n1.0\n0.037919 -0.014252 6.431579\n9.992994 -0.100519 -1.197561\n-0.807294 6.498883 0.755491\nLi Co O\n14 10 24\ndirect\n0.833667 0.250224 0.167459 Li\n0.833154 0.749624 0.166094 Li\n0.075057 0.131343 0.407524 Li\n0.076531 0.633574 0.404678 Li\n0.590175 0.366535 0.928627 Li\n0.591582 0.868669 0.925914 Li\n0.747659 0.121488 0.748144 Li\n0.745467 0.622032 0.748453 Li\n0.415888 0.120977 0.084974 Li\n0.414343 0.618879 0.082459 Li\n0.252557 0.381332 0.250723 Li\n0.250633 0.879055 0.248150 Li\n0.921363 0.377990 0.584866 Li\n0.918789 0.878505 0.585378 Li\n0.333347 0.499996 0.666613 Co\n0.333178 0.999917 0.666623 Co\n0.997808 0.501622 0.006349 Co\n0.995391 0.002102 0.005686 Co\n0.671058 0.997974 0.327767 Co\n0.669074 0.498323 0.326936 Co\n0.508098 0.251405 0.492373 Co\n0.509242 0.751322 0.489414 Co\n0.157456 0.248626 0.843863 Co\n0.158520 0.748606 0.840958 Co\n0.443984 0.183222 0.788539 O\n0.439800 0.680744 0.781924 O\n0.226873 0.319261 0.551280 O\n0.222515 0.816688 0.544778 O\n0.942172 0.449164 0.280292 O\n0.942805 0.948636 0.278258 O\n0.723940 0.051353 0.055111 O\n0.724543 0.550896 0.053113 O\n0.115838 0.170940 0.111030 O\n0.116442 0.671915 0.109151 O\n0.770963 0.177925 0.454136 O\n0.770963 0.677243 0.453074 O\n0.895855 0.322792 0.880366 O\n0.895587 0.822043 0.879332 O\n0.550444 0.328153 0.224168 O\n0.550718 0.828965 0.222318 O\n0.615774 0.442903 0.600581 O\n0.625720 0.939591 0.598634 O\n0.269981 0.437555 0.959570 O\n0.270982 0.939409 0.954796 O\n0.395579 0.060575 0.378526 O\n0.396836 0.562448 0.373555 O\n0.040685 0.060336 0.734784 O\n0.050964 0.557124 0.732660 O\n",
"nsites": 48,
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"elements": [
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"density": 4.25717662440036,
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"volume": 417.55209991799865,
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"formula_full": "Li14 Co10 O24",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy": -298.20263486,
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"spacegroup": 2
},
{
"id": "mp-767011",
"created_at": "2022-09-04T14:48:01.948883Z",
"structure_string": "Li7 Mn3 Si2 O12\n1.0\n4.226408 2.541588 0.000000\n-4.226408 2.541588 0.000000\n0.000000 1.130946 9.718457\nLi Mn Si O\n7 3 2 12\ndirect\n0.748997 0.748997 0.760352 Li\n0.000000 0.000000 0.000000 Li\n0.916269 0.590312 0.245585 Li\n0.409688 0.083731 0.754415 Li\n0.251003 0.251003 0.239648 Li\n0.590312 0.916269 0.245585 Li\n0.083731 0.409688 0.754415 Li\n0.500000 0.500000 0.500000 Mn\n0.833374 0.166626 0.500000 Mn\n0.166626 0.833374 0.500000 Mn\n0.668134 0.331866 0.000000 Si\n0.331866 0.668134 0.000000 Si\n0.902878 0.902878 0.376585 O\n0.023902 0.652272 0.898584 O\n0.765990 0.432261 0.620897 O\n0.594403 0.594403 0.104096 O\n0.976098 0.347728 0.101416 O\n0.567739 0.234010 0.379103 O\n0.405597 0.405597 0.895904 O\n0.097122 0.097122 0.623415 O\n0.432261 0.765990 0.620897 O\n0.652272 0.023902 0.898584 O\n0.347728 0.976098 0.101416 O\n0.234010 0.567739 0.379103 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Li-Mn-O-Si",
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"formula_full": "Li7 Mn3 Si2 O12",
"formula_reduced": "Li7Mn3(SiO6)2",
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"energy": -169.33012556999998,
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"spacegroup": 12
},
{
"id": "mp-1173880",
"created_at": "2022-09-04T14:42:21.308835Z",
"structure_string": "Li4 Co2 O6\n1.0\n-1.113936 4.097508 2.450694\n0.084224 -0.090322 5.093107\n4.915654 0.091089 -0.764651\nLi Co O\n4 2 6\ndirect\n0.166674 0.666667 0.500004 Li\n0.666660 0.666672 0.999996 Li\n0.507985 0.984026 0.500002 Li\n0.825344 0.349325 0.500008 Li\n0.326419 0.347178 0.000001 Co\n0.006940 0.986123 0.999998 Co\n0.399389 0.666662 0.234855 O\n0.933933 0.666679 0.765136 O\n0.765297 0.016237 0.223572 O\n0.114909 0.317090 0.223586 O\n0.218418 0.016249 0.776422 O\n0.568033 0.317091 0.776420 O\n",
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"elements": [
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],
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"density": 3.8433666913684545,
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"volume": 104.39563969611588,
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"formula_full": "Li4 Co2 O6",
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"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:35:47.142000Z",
"spacegroup": 12
},
{
"id": "mp-1174364",
"created_at": "2022-09-04T14:41:30.527411Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.460491 0.134485 2.277926\n-1.953230 9.599394 -0.454317\n0.255868 -0.129578 4.969618\nLi Co O\n7 5 12\ndirect\n0.746907 0.243960 0.001084 Li\n0.582657 0.754197 0.331257 Li\n0.413146 0.245133 0.664776 Li\n0.084009 0.245803 0.335409 Li\n0.919760 0.756040 0.665583 Li\n0.253521 0.754867 0.001891 Li\n0.333333 -0.000000 0.333333 Li\n0.003164 0.000040 0.002621 Co\n0.663503 -0.000040 0.664046 Co\n0.833333 0.500000 0.333333 Co\n0.502122 0.499899 0.996297 Co\n0.164545 0.500101 0.670370 Co\n0.006446 0.108416 0.695115 O\n0.880465 0.619049 0.993157 O\n0.730706 0.109383 0.338643 O\n0.362870 0.109124 0.972896 O\n0.202241 0.618503 0.333420 O\n0.541602 0.618843 0.671461 O\n0.464426 0.381497 0.333247 O\n0.303796 0.890876 0.693770 O\n0.125065 0.381157 -0.004794 O\n0.786201 0.380951 0.673509 O\n0.660221 0.891584 0.971552 O\n0.935961 0.890617 0.328024 O\n",
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{
"id": "mp-644281",
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"structure_string": "Mg7 Ti1 H16\n1.0\n0.000000 4.708834 4.708834\n4.708834 0.000000 4.708834\n4.708834 4.708834 0.000000\nMg Ti H\n7 1 16\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Ti\n0.880556 0.880556 0.358333 H\n0.880556 0.358333 0.880556 H\n0.358333 0.880556 0.880556 H\n0.880556 0.880556 0.880556 H\n0.119444 0.119444 0.641667 H\n0.119444 0.641667 0.119444 H\n0.641667 0.119444 0.119444 H\n0.119444 0.119444 0.119444 H\n0.627823 0.627823 0.116531 H\n0.627823 0.116531 0.627823 H\n0.116531 0.627823 0.627823 H\n0.627823 0.627823 0.627823 H\n0.372177 0.372177 0.883469 H\n0.372177 0.883469 0.372177 H\n0.883469 0.372177 0.372177 H\n0.372177 0.372177 0.372177 H\n",
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},
{
"id": "mp-753283",
"created_at": "2022-09-04T14:41:35.807665Z",
"structure_string": "Li12 Ni2 O2 F12\n1.0\n-0.000021 -2.052994 -2.052999\n14.450865 -0.000013 -2.052831\n0.000049 -4.105982 4.105990\nLi Ni O F\n12 2 2 12\ndirect\n0.427326 0.145342 0.286337 Li\n0.427327 0.145342 0.786338 Li\n0.572671 0.854657 0.713665 Li\n0.572672 0.854657 0.213664 Li\n0.855205 0.289569 0.572396 Li\n0.855205 0.289570 0.072397 Li\n0.144793 0.710429 0.427605 Li\n0.144792 0.710429 0.927604 Li\n0.285340 0.429319 0.357330 Li\n0.285342 0.429319 0.857328 Li\n0.714656 0.570680 0.642672 Li\n0.714657 0.570680 0.142673 Li\n0.000021 0.000003 0.499989 Ni\n0.000003 0.000010 0.999990 Ni\n0.499990 0.000001 0.249999 O\n0.500007 0.999999 0.750003 O\n0.925112 0.149775 0.537445 F\n0.925103 0.149775 0.037440 F\n0.074886 0.850224 0.462557 F\n0.074898 0.850224 0.962561 F\n0.355640 0.288743 0.322180 F\n0.355640 0.288743 0.822180 F\n0.644357 0.711256 0.677822 F\n0.644359 0.711256 0.177822 F\n0.785247 0.429558 0.607376 F\n0.785249 0.429559 0.107376 F\n0.214751 0.570440 0.392625 F\n0.214750 0.570441 0.892625 F\n",
"nsites": 28,
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"formula_full": "Li12 Ni2 O2 F12",
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"spacegroup": 139
},
{
"id": "mp-753111",
"created_at": "2022-09-04T14:42:04.529327Z",
"structure_string": "Li7 Fe3 Si2 O12\n1.0\n4.313051 2.490414 0.000000\n-4.313051 2.490414 0.000000\n0.000000 1.657558 9.720923\nLi Fe Si O\n7 3 2 12\ndirect\n0.747168 0.747168 0.743397 Li\n0.909241 0.581248 0.256608 Li\n0.500000 0.500000 0.500000 Li\n0.418752 0.090759 0.743392 Li\n0.252832 0.252832 0.256603 Li\n0.581248 0.909241 0.256608 Li\n0.090759 0.418752 0.743392 Li\n0.000000 0.000000 0.000000 Fe\n0.667119 0.332881 0.000000 Fe\n0.332881 0.667119 0.000000 Fe\n0.833304 0.166696 0.500000 Si\n0.166696 0.833304 0.500000 Si\n0.908353 0.908353 0.397614 O\n0.840209 0.465852 0.602414 O\n0.038904 0.706091 0.881438 O\n0.625837 0.625837 0.121336 O\n0.961096 0.293909 0.118562 O\n0.534148 0.159791 0.397586 O\n0.374163 0.374163 0.878664 O\n0.091647 0.091647 0.602386 O\n0.706091 0.038904 0.881438 O\n0.465852 0.840209 0.602414 O\n0.293909 0.961096 0.118562 O\n0.159791 0.534148 0.397586 O\n",
"nsites": 24,
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"formula_full": "Li7 Fe3 Si2 O12",
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