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{
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"results": [
{
"id": "mp-769539",
"created_at": "2022-09-04T14:47:56.339455Z",
"structure_string": "Li14 V2 Ge2 O16\n1.0\n5.372446 0.000000 0.000000\n-0.079362 6.383757 0.000000\n-0.027460 -0.065951 10.846825\nLi V Ge O\n14 2 2 16\ndirect\n0.678692 0.764172 0.083406 Li\n0.319182 0.515168 0.173503 Li\n0.317491 0.017117 0.173709 Li\n0.818177 0.017768 0.343502 Li\n0.818740 0.518430 0.343347 Li\n0.184531 0.270713 0.432033 Li\n0.834242 0.745074 0.583932 Li\n0.201329 0.509792 0.661979 Li\n0.116414 0.048847 0.652683 Li\n0.972718 0.381223 0.827396 Li\n0.831584 0.010600 0.846281 Li\n0.454774 0.908859 0.708999 Li\n0.625180 0.547659 0.842481 Li\n0.355915 0.238339 0.932894 Li\n0.831213 0.266171 0.093669 V\n0.332522 0.771860 0.423835 V\n0.674352 0.264451 0.591532 Ge\n0.167826 0.758271 0.927384 Ge\n0.307628 0.766998 0.073438 O\n0.158306 0.264926 0.095260 O\n0.716253 0.484397 0.168954 O\n0.715336 0.046618 0.167407 O\n0.219114 0.989683 0.348852 O\n0.213441 0.550751 0.350355 O\n0.658337 0.767187 0.420795 O\n0.810415 0.268777 0.444359 O\n0.229072 0.778367 0.579823 O\n0.344489 0.261058 0.594306 O\n0.803565 0.478625 0.680861 O\n0.767301 0.026627 0.669576 O\n0.229088 0.992623 0.837629 O\n0.275573 0.531335 0.843697 O\n0.837072 0.745124 0.925465 O\n0.728230 0.264692 0.937280 O\n",
"nsites": 34,
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"elements": [
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"Ge",
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"density_atomic": 0.09139614491089461,
"volume": 372.00693785441194,
"volume_molar": 6.589053363105415,
"formula_full": "Li14 V2 Ge2 O16",
"formula_reduced": "Li7VGeO8",
"formula_anonymous": "ABC7D8",
"energy": -214.05896595,
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"total_magnetization": 2.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.807000Z",
"spacegroup": 1
},
{
"id": "mp-769567",
"created_at": "2022-09-04T14:47:56.357892Z",
"structure_string": "Li10 Ti11 Cr9 O40\n1.0\n4.202520 -4.216064 -0.007491\n-4.212437 -0.017359 -4.212249\n12.663925 16.898060 -12.593714\nLi Ti Cr O\n10 11 9 40\ndirect\n0.849902 0.676464 0.024164 Li\n0.949506 0.723301 0.174957 Li\n0.450494 0.476699 0.425043 Li\n0.249973 0.876361 0.625463 Li\n0.651481 0.077242 0.225480 Li\n0.748519 0.122759 0.374520 Li\n0.550098 0.523536 0.575836 Li\n0.351318 0.923723 0.775530 Li\n0.048682 0.276277 0.824470 Li\n0.150027 0.323639 0.974537 Li\n0.200000 0.600000 0.300000 Ti\n0.492637 0.998386 0.999288 Ti\n0.402505 0.205190 0.101342 Ti\n0.902547 0.202487 0.100604 Ti\n0.700000 0.600000 0.300000 Ti\n0.997495 0.994810 0.498658 Ti\n0.497453 0.997513 0.499396 Ti\n0.601925 0.801805 0.899943 Ti\n0.798075 0.398195 0.700057 Ti\n0.907363 0.201614 0.600712 Ti\n0.700000 0.600000 0.800000 Ti\n0.399765 0.699908 0.099503 Cr\n0.300296 0.400876 0.200391 Cr\n0.099704 0.799124 0.399609 Cr\n0.200000 0.100000 0.300000 Cr\n0.000235 0.500092 0.500497 Cr\n0.300688 0.400815 0.700214 Cr\n0.099312 0.799185 0.899786 Cr\n0.799308 0.899425 0.700042 Cr\n0.600692 0.300575 0.899958 Cr\n0.236840 0.873920 0.051544 O\n0.688897 0.874710 0.051894 O\n0.000574 0.744770 0.257300 O\n0.201747 0.346140 0.057303 O\n0.109614 0.528178 0.146313 O\n0.364295 0.925947 0.346811 O\n0.113236 0.078594 0.146522 O\n0.565351 0.528287 0.146632 O\n0.487144 0.721457 0.253911 O\n0.684612 0.317736 0.052568 O\n0.035705 0.274053 0.253189 O\n0.399426 0.455230 0.342700 O\n0.290386 0.671822 0.453687 O\n0.491429 0.273522 0.253391 O\n0.198253 0.853860 0.542697 O\n0.597981 0.053271 0.142382 O\n0.908571 0.926478 0.346609 O\n0.163160 0.326080 0.548456 O\n0.715388 0.882264 0.547432 O\n0.912856 0.478543 0.346089 O\n0.286764 0.121406 0.453478 O\n0.079359 0.517340 0.651611 O\n0.834649 0.671713 0.453368 O\n0.082044 0.067698 0.650924 O\n0.711103 0.325290 0.548106 O\n0.802019 0.146729 0.457618 O\n0.518252 0.731640 0.748962 O\n0.608376 0.548198 0.657726 O\n0.408624 0.948111 0.857905 O\n0.964801 0.727050 0.748399 O\n0.520847 0.282522 0.748197 O\n0.320641 0.682660 0.948389 O\n0.435199 0.472950 0.851601 O\n0.879153 0.917478 0.851803 O\n0.635384 0.072953 0.651564 O\n0.881748 0.468360 0.851038 O\n0.991376 0.251889 0.742095 O\n0.791624 0.651802 0.942274 O\n0.317956 0.132302 0.949076 O\n0.764616 0.127047 0.948436 O\n",
"nsites": 70,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.776807171145659,
"density_atomic": 0.09343997977281017,
"volume": 749.1439977855078,
"volume_molar": 6.444929434533509,
"formula_full": "Li10 Ti11 Cr9 O40",
"formula_reduced": "Li10Ti11Cr9O40",
"formula_anonymous": "A9B10C11D40",
"energy": -595.26359309,
"energy_per_atom": -8.503765615571428,
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"energy_uncorrected": -549.79259309,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:15.747000Z",
"spacegroup": 2
},
{
"id": "mp-1073256",
"created_at": "2022-09-04T14:47:56.364409Z",
"structure_string": "Mg4 Si6\n1.0\n3.859040 0.000000 0.000000\n-1.832814 5.909526 0.000000\n-1.923530 -2.335402 8.472072\nMg Si\n4 6\ndirect\n0.867906 0.722321 0.503845 Mg\n0.132094 0.277679 0.496155 Mg\n0.170159 0.983126 0.852737 Mg\n0.829841 0.016874 0.147263 Mg\n0.500126 0.612030 0.904313 Si\n0.499874 0.387970 0.095687 Si\n0.855159 0.484957 0.734991 Si\n0.144841 0.515043 0.265009 Si\n0.598227 0.059224 0.645178 Si\n0.401773 0.940776 0.354822 Si\n",
"nsites": 10,
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"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2838786364199333,
"density_atomic": 0.051758112963127406,
"volume": 193.20642557281835,
"volume_molar": 11.635162905359756,
"formula_full": "Mg4 Si6",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -37.95219393,
"energy_per_atom": -3.795219393,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:16.689000Z",
"spacegroup": 2
},
{
"id": "mp-979465",
"created_at": "2022-09-04T14:47:56.365590Z",
"structure_string": "Sm2 Cd6\n1.0\n3.381925 -5.857665 0.000000\n3.381925 5.857665 0.000000\n0.000000 0.000000 5.026562\nSm Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.160753 0.321505 0.250000 Cd\n0.678495 0.839247 0.250000 Cd\n0.160753 0.839247 0.250000 Cd\n0.839247 0.678495 0.750000 Cd\n0.321505 0.160753 0.750000 Cd\n0.839247 0.160753 0.750000 Cd\n",
"nsites": 8,
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"elements": [
"Sm",
"Cd"
],
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"density": 8.131057139846796,
"density_atomic": 0.04016987170913621,
"volume": 199.15423325040106,
"volume_molar": 14.991685319797345,
"formula_full": "Sm2 Cd6",
"formula_reduced": "SmCd3",
"formula_anonymous": "AB3",
"energy": -17.34565487,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:15.247000Z",
"spacegroup": 194
},
{
"id": "mp-1177735",
"created_at": "2022-09-04T14:47:56.608658Z",
"structure_string": "Li12 Fe8 P16 O56\n1.0\n9.790909 0.000000 0.000000\n0.086526 9.833008 0.000000\n0.064214 2.372896 10.914702\nLi Fe P O\n12 8 16 56\ndirect\n0.426760 0.171199 0.456703 Li\n0.912154 0.344822 0.042474 Li\n0.390272 0.143405 0.958358 Li\n0.612923 0.412888 0.028372 Li\n0.918784 0.322905 0.550661 Li\n0.780631 0.613983 0.544489 Li\n0.083768 0.665704 0.456507 Li\n0.399811 0.592471 0.967035 Li\n0.107520 0.655065 0.964807 Li\n0.907734 0.918986 0.025538 Li\n0.578839 0.834673 0.541211 Li\n0.283572 0.886969 0.453407 Li\n0.923032 0.197289 0.331721 Fe\n0.209865 0.247060 0.176794 Fe\n0.719403 0.237180 0.826760 Fe\n0.422323 0.300672 0.672451 Fe\n0.575911 0.700137 0.315383 Fe\n0.281822 0.752037 0.175328 Fe\n0.777960 0.748423 0.830173 Fe\n0.070544 0.805204 0.676191 Fe\n0.452070 0.021623 0.242828 P\n0.712248 0.115076 0.120017 P\n0.924172 0.068828 0.753515 P\n0.148791 0.124239 0.578274 P\n0.648081 0.378002 0.423410 P\n0.429490 0.436588 0.240503 P\n0.048137 0.515023 0.250662 P\n0.205527 0.386060 0.885273 P\n0.798494 0.619562 0.115319 P\n0.950833 0.480596 0.756772 P\n0.574253 0.563374 0.754900 P\n0.350952 0.624271 0.582017 P\n0.851941 0.874691 0.420381 P\n0.074489 0.928309 0.243850 P\n0.287773 0.884075 0.884938 P\n0.542106 0.982211 0.744938 P\n0.406278 0.025929 0.371878 O\n0.841150 0.026182 0.429627 O\n0.079524 0.078317 0.268767 O\n0.599161 0.094481 0.229654 O\n0.362851 0.104414 0.140652 O\n0.827265 0.192528 0.174291 O\n0.649776 0.218630 0.007269 O\n0.264994 0.023635 0.912189 O\n0.076456 0.123647 0.707382 O\n0.910523 0.069382 0.887181 O\n0.521628 0.131430 0.775016 O\n0.290181 0.187185 0.587866 O\n0.824413 0.177259 0.680838 O\n0.055629 0.207666 0.478844 O\n0.554960 0.293994 0.521966 O\n0.324715 0.329513 0.302000 O\n0.790907 0.315601 0.413559 O\n0.025885 0.363268 0.228152 O\n0.577976 0.377092 0.294033 O\n0.439983 0.444744 0.104303 O\n0.776326 0.481352 0.080843 O\n0.139167 0.293782 0.999090 O\n0.328070 0.313927 0.834623 O\n0.098530 0.406649 0.772212 O\n0.581451 0.413377 0.731131 O\n0.858876 0.397872 0.856540 O\n0.342244 0.472807 0.572661 O\n0.083717 0.517644 0.380094 O\n0.911694 0.480882 0.625709 O\n0.658683 0.532448 0.432956 O\n0.141211 0.593416 0.148523 O\n0.416344 0.583000 0.274396 O\n0.901194 0.593704 0.230188 O\n0.671938 0.679734 0.169463 O\n0.865458 0.724571 0.007926 O\n0.235879 0.529772 0.905177 O\n0.580315 0.570530 0.888790 O\n0.425392 0.626508 0.709610 O\n0.966527 0.633763 0.778239 O\n0.208842 0.691830 0.590844 O\n0.678731 0.663708 0.680042 O\n0.434963 0.719532 0.481083 O\n0.938012 0.781271 0.522173 O\n0.180349 0.829339 0.322255 O\n0.711519 0.805597 0.413508 O\n0.468059 0.867180 0.228144 O\n0.083337 0.913639 0.113361 O\n0.926478 0.867529 0.294137 O\n0.748624 0.975942 0.097491 O\n0.334839 0.769944 0.995998 O\n0.164178 0.819803 0.828189 O\n0.650044 0.905531 0.831820 O\n0.402129 0.894544 0.779043 O\n0.916532 0.920905 0.722264 O\n0.162693 0.969992 0.566924 O\n0.559638 0.988427 0.610054 O\n",
"nsites": 92,
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"elements": [
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"P",
"O"
],
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"density": 3.036620222274818,
"density_atomic": 0.08755209405336273,
"volume": 1050.8029647346445,
"volume_molar": 6.878351483323201,
"formula_full": "Li12 Fe8 P16 O56",
"formula_reduced": "Li3Fe2(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -674.66928423,
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"updated_at": "2021-11-28T01:38:22.165000Z",
"spacegroup": 1
},
{
"id": "mp-1030758",
"created_at": "2022-09-04T14:47:56.368704Z",
"structure_string": "Rb1 Na1 Mg6 O7\n1.0\n8.561132 0.000000 0.000000\n0.000000 4.635548 0.000000\n0.000000 0.000000 4.635548\nRb Na Mg O\n1 1 6 7\ndirect\n0.026642 0.500000 0.500000 Rb\n0.996608 0.000000 0.000000 Na\n0.498678 -0.000000 -0.000000 Mg\n0.507874 0.500000 0.500000 Mg\n0.249570 0.000000 0.500000 Mg\n0.752338 -0.000000 0.500000 Mg\n0.249570 0.500000 0.000000 Mg\n0.752338 0.500000 -0.000000 Mg\n0.264139 -0.000000 0.000000 O\n0.730446 0.000000 -0.000000 O\n0.731406 0.500000 0.500000 O\n0.008649 0.000000 0.500000 O\n0.486546 0.000000 0.500000 O\n0.008649 0.500000 0.000000 O\n0.486546 0.500000 -0.000000 O\n",
"nsites": 15,
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"elements": [
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"Na",
"Mg",
"O"
],
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"density": 3.306229066950542,
"density_atomic": 0.08153759562711656,
"volume": 183.9642177897569,
"volume_molar": 7.385722762221414,
"formula_full": "Rb1 Na1 Mg6 O7",
"formula_reduced": "RbNaMg6O7",
"formula_anonymous": "ABC6D7",
"energy": -78.83379432,
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"updated_at": "2021-11-28T01:38:15.992000Z",
"spacegroup": 99
},
{
"id": "mp-1356066",
"created_at": "2022-09-04T14:47:56.375338Z",
"structure_string": "Zn6 Mo12 O24\n1.0\n-6.312952 0.000000 0.000000\n3.156580 5.625782 0.000000\n-0.130278 -0.658709 -15.291786\nZn Mo O\n6 12 24\ndirect\n0.169664 0.665094 0.954418 Zn\n0.491942 0.009782 0.619950 Zn\n0.833036 0.333803 0.664162 Zn\n0.834799 0.328026 0.291541 Zn\n0.504993 0.992564 0.996154 Zn\n0.494799 0.003083 0.378023 Zn\n0.668737 0.670738 0.832121 Mo\n0.668703 0.164277 0.834825 Mo\n0.986846 0.015768 0.500609 Mo\n0.171809 0.166219 0.833695 Mo\n0.987942 0.508381 0.502232 Mo\n0.165405 0.663683 0.333837 Mo\n0.174505 0.671273 0.712493 Mo\n0.341956 0.320304 0.165317 Mo\n0.492978 0.508459 0.502105 Mo\n0.340718 0.822896 0.166430 Mo\n0.839338 0.823556 0.165972 Mo\n0.841433 0.328633 0.044490 Mo\n0.346298 0.307502 0.918813 O\n0.507294 0.992915 0.757311 O\n0.335594 0.849103 0.911186 O\n0.819876 0.846855 0.911634 O\n0.664770 0.654822 0.585632 O\n0.524646 0.472431 0.758798 O\n0.828939 0.334866 0.424763 O\n0.010914 0.476068 0.756798 O\n0.823288 0.355931 0.907924 O\n0.656217 0.196218 0.579894 O\n0.140527 0.192389 0.578655 O\n0.984519 0.036191 0.745875 O\n0.014579 0.969774 0.249841 O\n0.846040 0.822973 0.420716 O\n0.322612 0.822257 0.420265 O\n0.180405 0.645551 0.089914 O\n0.142996 0.698439 0.575401 O\n0.007871 0.505123 0.244599 O\n0.486381 0.504982 0.244944 O\n0.315917 0.360583 0.417424 O\n0.192951 0.131047 0.090933 O\n0.682437 0.132363 0.090275 O\n0.499404 0.001290 0.242224 O\n0.655921 0.693794 0.077809 O\n",
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"volume": 543.0922408392416,
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"formula_full": "Zn6 Mo12 O24",
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"formula_anonymous": "AB2C4",
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},
{
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