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{
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"results": [
{
"id": "mp-22697",
"created_at": "2022-09-04T14:46:17.101274Z",
"structure_string": "Ni6 P4 O16\n1.0\n4.745756 0.000000 0.000000\n0.000000 5.888852 0.000000\n0.000000 0.162409 10.226585\nNi P O\n6 4 16\ndirect\n0.013265 0.242009 0.725602 Ni\n0.513265 0.757991 0.774398 Ni\n0.486735 0.242009 0.225602 Ni\n0.986735 0.757991 0.274398 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.077811 0.748314 0.595101 P\n0.577811 0.251686 0.904899 P\n0.922189 0.251686 0.404899 P\n0.422189 0.748314 0.095101 P\n0.235435 0.534004 0.661766 O\n0.735435 0.465996 0.838234 O\n0.764565 0.465996 0.338234 O\n0.264565 0.534004 0.161766 O\n0.199142 0.947819 0.673681 O\n0.699142 0.052181 0.826319 O\n0.800858 0.052181 0.326319 O\n0.300858 0.947819 0.173681 O\n0.308486 0.743547 0.952733 O\n0.808486 0.256453 0.547267 O\n0.745161 0.731613 0.102054 O\n0.245161 0.268387 0.397946 O\n0.254839 0.268387 0.897946 O\n0.691514 0.256453 0.047267 O\n0.191514 0.743547 0.452733 O\n0.754839 0.731613 0.602054 O\n",
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{
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"structure_string": "Li4 Mn4 P4 O20\n1.0\n7.593379 -0.005264 -0.001749\n-0.004268 6.119540 -0.000186\n-0.001771 -0.000238 7.830137\nLi Mn P O\n4 4 4 20\ndirect\n0.140281 0.250047 0.669957 Li\n0.359975 0.749910 0.169923 Li\n0.639981 0.250071 0.830028 Li\n0.859621 0.749930 0.330137 Li\n0.999988 0.999894 0.999864 Mn\n0.999953 0.500086 0.999979 Mn\n0.499981 0.000166 0.499952 Mn\n0.499826 0.500089 0.500047 Mn\n0.132245 0.750107 0.665822 P\n0.367622 0.249823 0.165770 P\n0.632358 0.750173 0.834260 P\n0.867735 0.249843 0.334096 P\n0.010779 0.249962 0.466706 O\n0.108820 0.750151 0.089674 O\n0.126402 0.959258 0.779939 O\n0.126492 0.540943 0.779711 O\n0.179619 0.249383 0.076056 O\n0.320168 0.750538 0.576330 O\n0.373542 0.040733 0.279837 O\n0.373408 0.458994 0.279602 O\n0.391401 0.249867 0.589722 O\n0.489645 0.750020 0.966793 O\n0.510414 0.249956 0.033184 O\n0.608564 0.750161 0.410309 O\n0.626637 0.540987 0.720417 O\n0.626515 0.959254 0.720180 O\n0.679859 0.249472 0.423707 O\n0.820413 0.750586 0.923930 O\n0.873669 0.040712 0.220037 O\n0.873559 0.459043 0.220303 O\n0.891216 0.249822 0.910363 O\n0.989310 0.750020 0.533367 O\n",
"nsites": 32,
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"elements": [
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"O"
],
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"density": 3.1554042434453384,
"density_atomic": 0.08794820819346784,
"volume": 363.8505053975247,
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"formula_full": "Li4 Mn4 P4 O20",
"formula_reduced": "LiMnPO5",
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"spacegroup": 62
},
{
"id": "mp-1100625",
"created_at": "2022-09-04T14:42:53.152838Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.441170 4.894889 0.000000\n-1.441170 4.894889 0.000000\n0.000000 3.029782 20.536269\nLi Mn Co O\n9 2 5 16\ndirect\n0.243341 0.243341 0.067803 Li\n0.748365 0.748365 0.194488 Li\n0.257681 0.257681 0.308424 Li\n0.757540 0.757540 0.437669 Li\n0.249637 0.249637 0.561261 Li\n0.749991 0.749991 0.683927 Li\n0.254211 0.254211 0.813467 Li\n0.752075 0.752075 0.932860 Li\n0.997520 0.997520 0.249276 Li\n0.998517 0.998517 0.000980 Mn\n0.489087 0.489087 0.132786 Mn\n0.513174 0.513174 0.365039 Co\n0.994125 0.994125 0.499525 Co\n0.504717 0.504717 0.623537 Co\n0.000230 0.000230 0.748087 Co\n0.502055 0.502055 0.872778 Co\n0.385604 0.385604 0.970222 O\n0.880694 0.880694 0.099727 O\n0.382296 0.382296 0.212706 O\n0.893110 0.893110 0.348155 O\n0.380970 0.380970 0.471623 O\n0.885381 0.885381 0.594100 O\n0.391149 0.391149 0.718653 O\n0.883465 0.883465 0.845263 O\n0.106657 0.106657 0.153359 O\n0.624868 0.624868 0.287913 O\n0.107097 0.107097 0.405270 O\n0.612340 0.612340 0.530359 O\n0.121825 0.121825 0.654400 O\n0.608124 0.608124 0.778988 O\n0.119178 0.119178 0.902045 O\n0.604978 0.604978 0.035309 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.14360810322101,
"density_atomic": 0.11044355495682161,
"volume": 289.7407640718423,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.72660069,
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"updated_at": "2021-11-28T01:35:54.815000Z",
"spacegroup": 8
},
{
"id": "mp-642750",
"created_at": "2022-09-04T14:42:58.133705Z",
"structure_string": "Na4 V8 O16\n1.0\n2.920870 -0.000012 0.000017\n-0.000037 9.319612 0.000009\n0.000065 0.000010 10.889705\nNa V O\n4 8 16\ndirect\n0.750000 0.256811 0.847433 Na\n0.750000 0.756814 0.652569 Na\n0.250000 0.243188 0.347430 Na\n0.250000 0.743188 0.152566 Na\n0.250000 0.564343 0.387826 V\n0.249994 0.081317 0.604086 V\n0.750006 0.918690 0.395928 V\n0.750004 0.418693 0.104098 V\n0.250000 0.064286 0.112165 V\n0.750000 0.935696 0.887826 V\n0.750000 0.435671 0.612177 V\n0.249997 0.581311 0.895908 V\n0.249992 0.477599 0.218842 O\n0.750001 0.422766 0.429363 O\n0.250000 0.577234 0.570636 O\n0.249984 0.977611 0.281140 O\n0.749992 0.112692 0.479626 O\n0.749997 0.708079 0.351097 O\n0.250012 0.887311 0.520373 O\n0.250002 0.291920 0.648902 O\n0.250000 0.791918 0.851099 O\n0.749998 0.208084 0.148898 O\n0.250000 0.077233 0.929367 O\n0.750010 0.022390 0.718854 O\n0.750003 0.522395 0.781152 O\n0.250007 0.387307 0.979631 O\n0.750001 0.922770 0.070635 O\n0.749998 0.612683 0.020374 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 296.43274454452023,
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"formula_full": "Na4 V8 O16",
"formula_reduced": "NaV2O4",
"formula_anonymous": "AB2C4",
"energy": -224.91974901999995,
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"updated_at": "2021-11-28T01:35:59.163000Z",
"spacegroup": 62
},
{
"id": "mp-1211167",
"created_at": "2022-09-04T14:48:17.703651Z",
"structure_string": "Li1 Cr4 Ga1 S8\n1.0\n0.000000 5.044589 5.044589\n5.044589 0.000000 5.044589\n5.044589 5.044589 0.000000\nLi Cr Ga S\n1 4 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.370889 0.370889 0.370889 Cr\n0.370889 0.370889 0.887333 Cr\n0.370889 0.887333 0.370889 Cr\n0.887333 0.370889 0.370889 Cr\n0.750000 0.750000 0.750000 Ga\n0.137044 0.137044 0.137044 S\n0.137044 0.137044 0.588867 S\n0.137044 0.588867 0.137044 S\n0.588867 0.137044 0.137044 S\n0.615191 0.615191 0.615191 S\n0.615191 0.615191 0.154428 S\n0.615191 0.154428 0.615191 S\n0.154428 0.615191 0.615191 S\n",
"nsites": 14,
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"elements": [
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"S"
],
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"density": 3.5000493303076285,
"density_atomic": 0.0545281388157114,
"volume": 256.74817266944984,
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"formula_full": "Li1 Cr4 Ga1 S8",
"formula_reduced": "LiCr4GaS8",
"formula_anonymous": "ABC4D8",
"energy": -91.96108468,
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"updated_at": "2021-11-28T01:38:55.373000Z",
"spacegroup": 216
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{
"id": "mp-690546",
"created_at": "2022-09-04T14:42:46.485116Z",
"structure_string": "Ti6 Ni6 O18\n1.0\n5.057438 0.000000 0.000000\n-2.509084 4.890790 0.000000\n-0.034551 -0.810552 12.568538\nTi Ni O\n6 6 18\ndirect\n0.477057 0.937088 0.891971 Ti\n0.525005 0.045829 0.617362 Ti\n0.854060 0.712650 0.284485 Ti\n0.139349 0.282487 0.718089 Ti\n0.473038 0.948698 0.380518 Ti\n0.823979 0.603240 0.049328 Ti\n0.190863 0.387338 0.951210 Ni\n0.797188 0.597805 0.550257 Ni\n0.861408 0.727022 0.781939 Ni\n0.131341 0.267301 0.215388 Ni\n0.199444 0.397512 0.450871 Ni\n0.535083 0.061773 0.117592 Ni\n0.871895 0.089629 0.849644 O\n0.317758 0.000107 0.750704 O\n0.463261 0.215146 0.975505 O\n0.879229 0.422968 0.684667 O\n0.026056 0.672919 0.920712 O\n0.248047 0.778887 0.522945 O\n0.414996 0.551590 0.810252 O\n0.641294 0.668060 0.410599 O\n0.788474 0.906125 0.647326 O\n0.210156 0.089621 0.351204 O\n0.352650 0.323854 0.592760 O\n0.576725 0.449467 0.187647 O\n0.747638 0.215905 0.480758 O\n0.962032 0.338623 0.083971 O\n0.122213 0.576664 0.317422 O\n0.548627 0.758544 0.013974 O\n0.690033 0.995970 0.257832 O\n0.082699 0.880377 0.145169 O\n",
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"formula_full": "Ti6 Ni6 O18",
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"updated_at": "2021-11-28T01:35:51.784000Z",
"spacegroup": 1
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{
"id": "mp-759687",
"created_at": "2022-09-04T14:42:20.133855Z",
"structure_string": "Li12 V8 O16 F8\n1.0\n2.998922 5.171646 0.000000\n-2.998922 5.171646 0.000000\n0.000000 0.028015 14.940704\nLi V O F\n12 8 16 8\ndirect\n0.136522 0.710927 0.166412 Li\n0.147626 0.669090 0.667112 Li\n0.499225 0.499225 0.026894 Li\n0.710927 0.136522 0.166412 Li\n0.669090 0.147626 0.667112 Li\n0.331145 0.331145 0.292417 Li\n0.163680 0.163680 0.663065 Li\n0.474410 0.996629 0.045886 Li\n0.673251 0.673251 0.175234 Li\n0.996629 0.474410 0.045886 Li\n0.329313 0.861050 0.296582 Li\n0.861050 0.329313 0.296582 Li\n0.503446 0.503446 0.508191 V\n0.996946 0.996946 0.493029 V\n0.332582 0.332582 0.835491 V\n0.495901 0.002034 0.499451 V\n0.830610 0.830610 0.836051 V\n0.002034 0.495901 0.499451 V\n0.334250 0.831936 0.827309 V\n0.831936 0.334250 0.827309 V\n0.167142 0.667415 0.896630 O\n0.171105 0.667173 0.437471 O\n0.489560 0.489560 0.759095 O\n0.667173 0.171105 0.437471 O\n0.667415 0.167142 0.896630 O\n0.992219 0.992219 0.755280 O\n0.327897 0.327897 0.577167 O\n0.173912 0.173912 0.896025 O\n0.163392 0.163392 0.425833 O\n0.501525 0.009765 0.759735 O\n0.839965 0.839965 0.571749 O\n0.669859 0.669859 0.438240 O\n0.675604 0.675604 0.898477 O\n0.009765 0.501525 0.759735 O\n0.314463 0.851452 0.572250 O\n0.851452 0.314463 0.572250 O\n0.507775 0.507775 0.256819 F\n0.000817 0.000817 0.251298 F\n0.336222 0.336222 0.071865 F\n0.509771 0.005136 0.245699 F\n0.819901 0.819901 0.089992 F\n0.005136 0.509771 0.245699 F\n0.350976 0.799712 0.091022 F\n0.799712 0.350976 0.091022 F\n",
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"F"
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"formula_full": "Li12 V8 O16 F8",
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"spacegroup": 8
},
{
"id": "mp-1176045",
"created_at": "2022-09-04T14:42:01.738835Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.160193 0.000000 0.000000\n-1.752981 -5.607261 0.000000\n-1.718714 0.444095 -9.930611\nLi Mn Co O\n9 2 5 16\ndirect\n0.502560 0.875286 0.131954 Li\n0.507369 0.129109 0.378995 Li\n0.505302 0.384495 0.617102 Li\n0.501195 0.626010 0.872092 Li\n0.494955 0.375958 0.128444 Li\n0.497863 0.625463 0.378505 Li\n0.493951 0.864798 0.617318 Li\n0.498239 0.122228 0.873405 Li\n0.001185 0.502921 0.501501 Li\n0.995017 0.998086 0.998954 Mn\n0.003270 0.253332 0.746040 Mn\n0.004785 0.253207 0.261035 Co\n0.003426 0.746264 0.745208 Co\n0.003234 0.502270 0.005904 Co\n0.993262 0.743631 0.258171 Co\n0.997714 0.995374 0.498642 Co\n0.765595 0.700511 0.052632 O\n0.759423 0.938810 0.315725 O\n0.775081 0.186230 0.576144 O\n0.792826 0.441825 0.813018 O\n0.778188 0.180334 0.062838 O\n0.763579 0.448174 0.300965 O\n0.775445 0.703764 0.576939 O\n0.772793 0.960454 0.820814 O\n0.216256 0.044614 0.175398 O\n0.236536 0.302314 0.425553 O\n0.241128 0.540473 0.697198 O\n0.211674 0.816791 0.930305 O\n0.231876 0.558943 0.176656 O\n0.233992 0.826093 0.435117 O\n0.218134 0.058301 0.692677 O\n0.224148 0.293938 0.934753 O\n",
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"elements": [
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"O"
],
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"volume": 287.3377501958493,
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.39366455,
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},
{
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{
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"structure_string": "Zn4 Cr4 O10\n1.0\n3.760343 0.000000 0.000000\n0.000000 5.345333 0.000000\n0.000000 0.000000 10.255360\nZn Cr O\n4 4 10\ndirect\n0.000000 0.280256 0.401238 Zn\n0.000000 0.719744 0.598762 Zn\n0.000000 0.780256 0.098762 Zn\n0.000000 0.219744 0.901238 Zn\n0.500000 0.241545 0.135343 Cr\n0.500000 0.758455 0.864657 Cr\n0.500000 0.258455 0.635343 Cr\n0.500000 0.741545 0.364657 Cr\n0.500000 0.500000 0.000000 O\n0.500000 0.134667 0.813925 O\n0.500000 0.634667 0.686075 O\n0.500000 0.365333 0.313925 O\n0.000000 0.313350 0.598775 O\n0.000000 0.686650 0.401225 O\n0.500000 0.865333 0.186075 O\n0.000000 0.186650 0.098775 O\n0.500000 0.000000 0.500000 O\n0.000000 0.813350 0.901225 O\n",
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{
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"structure_string": "Mg4 Cr4 O10\n1.0\n3.770443 0.000000 0.000000\n0.000000 5.044907 0.000000\n0.000000 0.000000 10.564474\nMg Cr O\n4 4 10\ndirect\n0.500000 0.257198 0.904016 Mg\n0.500000 0.742802 0.095984 Mg\n0.500000 0.757198 0.595984 Mg\n0.500000 0.242802 0.404016 Mg\n0.000000 0.235995 0.638362 Cr\n0.000000 0.764005 0.361638 Cr\n0.000000 0.264005 0.138362 Cr\n0.000000 0.735995 0.861638 Cr\n0.000000 0.500000 0.500000 O\n0.000000 0.146509 0.312346 O\n0.000000 0.646509 0.187654 O\n0.000000 0.353491 0.812346 O\n0.500000 0.311211 0.099662 O\n0.500000 0.688789 0.900338 O\n0.000000 0.853491 0.687654 O\n0.500000 0.188789 0.599662 O\n0.000000 0.000000 0.000000 O\n0.500000 0.811211 0.400338 O\n",
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{
"id": "mp-774669",
"created_at": "2022-09-04T14:40:20.233393Z",
"structure_string": "Li4 V2 Cr3 Sn3 O16\n1.0\n3.066328 5.272863 0.000000\n-3.066328 5.272863 0.000000\n0.000000 0.098746 9.638738\nLi V Cr Sn O\n4 2 3 3 16\ndirect\n0.329447 0.329447 0.112546 Li\n0.012916 0.012916 0.009328 Li\n0.006970 0.006970 0.498687 Li\n0.665041 0.665041 0.601307 Li\n0.322901 0.322901 0.502854 V\n0.661345 0.661345 0.015325 V\n0.169599 0.169599 0.785459 Cr\n0.822671 0.344015 0.285038 Cr\n0.344015 0.822671 0.285038 Cr\n0.661833 0.169374 0.786353 Sn\n0.169374 0.661833 0.786353 Sn\n0.829611 0.829611 0.285984 Sn\n0.665949 0.170853 0.406342 O\n0.478532 0.478532 0.650596 O\n0.328385 0.328385 0.901305 O\n0.005244 0.005244 0.683811 O\n0.005472 0.005472 0.194691 O\n0.170853 0.665949 0.406342 O\n0.472801 0.043582 0.654681 O\n0.043582 0.472801 0.654681 O\n0.837453 0.837453 0.905460 O\n0.176562 0.176562 0.403200 O\n0.959678 0.512787 0.157880 O\n0.512787 0.959678 0.157880 O\n0.661445 0.661445 0.396579 O\n0.838103 0.327625 0.899961 O\n0.519982 0.519982 0.164494 O\n0.327625 0.838103 0.899961 O\n",
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"formula_full": "Li4 V2 Cr3 Sn3 O16",
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}