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"results": [
{
"id": "mp-1195955",
"created_at": "2022-09-04T14:42:49.671541Z",
"structure_string": "Cu4 H28 C12 N4 O24\n1.0\n7.185071 0.000000 0.000000\n0.000000 8.193015 0.000000\n0.000000 0.000000 13.645324\nCu H C N O\n4 28 12 4 24\ndirect\n0.999590 0.015534 0.085880 Cu\n0.000410 0.515534 0.414120 Cu\n0.499590 0.484466 0.914120 Cu\n0.500410 0.984466 0.585880 Cu\n0.057588 0.922068 0.831259 H\n0.942412 0.422068 0.668741 H\n0.557588 0.577932 0.168741 H\n0.442412 0.077932 0.331259 H\n0.945524 0.094864 0.811935 H\n0.054476 0.594864 0.688065 H\n0.445524 0.405136 0.188065 H\n0.554476 0.905136 0.311935 H\n0.109858 0.037381 0.729663 H\n0.890142 0.537381 0.770337 H\n0.609858 0.462619 0.270337 H\n0.390142 0.962619 0.229663 H\n0.898228 0.935964 0.738020 H\n0.101772 0.435964 0.761980 H\n0.398228 0.564036 0.261980 H\n0.601772 0.064036 0.238020 H\n0.268827 0.704021 0.037569 H\n0.731173 0.204021 0.462431 H\n0.768827 0.795979 0.962431 H\n0.231173 0.295979 0.537569 H\n0.718938 0.280927 0.052369 H\n0.281062 0.780927 0.447631 H\n0.218938 0.219073 0.947631 H\n0.781062 0.719073 0.552369 H\n0.935715 0.762686 0.240862 H\n0.064285 0.262686 0.259138 H\n0.435715 0.737314 0.759138 H\n0.564285 0.237314 0.740862 H\n0.224315 0.728071 0.961136 C\n0.775685 0.228071 0.538864 C\n0.724315 0.771929 0.038864 C\n0.275685 0.271929 0.461136 C\n0.769589 0.247093 0.978732 C\n0.230411 0.747093 0.521268 C\n0.269589 0.252907 0.021268 C\n0.730411 0.752907 0.478732 C\n0.089013 0.776014 0.239903 C\n0.910987 0.276014 0.260097 C\n0.589013 0.723986 0.760097 C\n0.410987 0.223986 0.739903 C\n0.002954 0.997353 0.775448 N\n0.997046 0.497353 0.724552 N\n0.502954 0.502647 0.224552 N\n0.497046 0.002647 0.275448 N\n0.117933 0.847440 0.945341 O\n0.882067 0.347440 0.554659 O\n0.617933 0.652560 0.054659 O\n0.382067 0.152560 0.445341 O\n0.284996 0.632170 0.893902 O\n0.715004 0.132170 0.606098 O\n0.784996 0.867830 0.106098 O\n0.215004 0.367830 0.393902 O\n0.890103 0.133381 0.971231 O\n0.109897 0.633381 0.528769 O\n0.390103 0.366619 0.028769 O\n0.609897 0.866619 0.471231 O\n0.706869 0.321843 0.903992 O\n0.293131 0.821843 0.596008 O\n0.206869 0.178157 0.096008 O\n0.793131 0.678157 0.403992 O\n0.156451 0.886530 0.182355 O\n0.843549 0.386530 0.317645 O\n0.656451 0.613470 0.817645 O\n0.343549 0.113470 0.682355 O\n0.186734 0.685718 0.293726 O\n0.813266 0.185718 0.206274 O\n0.686734 0.814282 0.706274 O\n0.313266 0.314282 0.793726 O\n",
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"density": 1.7913589359669135,
"density_atomic": 0.08963421724625113,
"volume": 803.2646707026532,
"volume_molar": 6.718573492370036,
"formula_full": "Cu4 H28 C12 N4 O24",
"formula_reduced": "CuH7C3NO6",
"formula_anonymous": "ABC3D6E7",
"energy": -446.76582395,
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"updated_at": "2021-11-28T01:35:51.981000Z",
"spacegroup": 19
},
{
"id": "mp-1186765",
"created_at": "2022-09-04T14:42:49.672046Z",
"structure_string": "Sr1 Tl2 Cd1\n1.0\n0.000000 3.886580 3.886580\n3.886580 0.000000 3.886580\n3.886580 3.886580 0.000000\nSr Tl Cd\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Sr\n0.499999 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"Tl",
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],
"chemical_system": "Cd-Sr-Tl",
"density": 8.609723393371493,
"density_atomic": 0.03406647213948667,
"volume": 117.41750022197262,
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"formula_full": "Sr1 Tl2 Cd1",
"formula_reduced": "SrTl2Cd",
"formula_anonymous": "ABC2",
"energy": -8.38867878,
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"spacegroup": 225
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{
"id": "mp-1025448",
"created_at": "2022-09-04T14:42:49.688154Z",
"structure_string": "Y4 Pt4\n1.0\n4.554193 0.000000 0.000000\n0.000000 5.594387 0.000000\n0.000000 0.000000 7.057355\nY Pt\n4 4\ndirect\n0.250000 0.640430 0.181284 Y\n0.750000 0.359570 0.818716 Y\n0.750000 0.140430 0.318716 Y\n0.250000 0.859570 0.681284 Y\n0.250000 0.152647 0.042909 Pt\n0.750000 0.847353 0.957091 Pt\n0.750000 0.652647 0.457091 Pt\n0.250000 0.347353 0.542909 Pt\n",
"nsites": 8,
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],
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"density": 10.490737150110771,
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"volume": 179.8067127963051,
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"formula_full": "Y4 Pt4",
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"updated_at": "2021-11-28T01:35:51.945000Z",
"spacegroup": 62
},
{
"id": "mp-775413",
"created_at": "2022-09-04T14:42:49.693662Z",
"structure_string": "Li10 Ti2 Mn18 O40\n1.0\n4.100002 -4.101633 0.005630\n-4.097964 0.007862 -4.102451\n12.275474 16.401092 -12.322400\nLi Ti Mn O\n10 2 18 40\ndirect\n0.994558 0.002760 0.998917 Li\n0.701889 0.347366 0.049536 Li\n0.505682 0.747401 0.250843 Li\n0.799614 0.401502 0.200529 Li\n0.601359 0.794534 0.399279 Li\n0.298745 0.147706 0.450474 Li\n0.100829 0.552064 0.650668 Li\n0.400933 0.200606 0.598599 Li\n0.196942 0.600870 0.799069 Li\n0.898680 0.953610 0.850360 Li\n0.251272 0.875124 0.125060 Ti\n0.751728 0.876900 0.624484 Ti\n0.349611 0.672970 0.024477 Mn\n0.250314 0.374222 0.125009 Mn\n0.053461 0.771585 0.324790 Mn\n0.750288 0.874038 0.125057 Mn\n0.150168 0.075556 0.225703 Mn\n0.053324 0.271500 0.325394 Mn\n0.552454 0.270488 0.324751 Mn\n0.347280 0.673550 0.523710 Mn\n0.849190 0.673003 0.523543 Mn\n0.950017 0.471799 0.424220 Mn\n0.648371 0.574777 0.725459 Mn\n0.150734 0.076826 0.725516 Mn\n0.446437 0.977288 0.925115 Mn\n0.849421 0.175470 0.523724 Mn\n0.446508 0.477593 0.924497 Mn\n0.648458 0.076323 0.725614 Mn\n0.548362 0.277325 0.825399 Mn\n0.946957 0.478038 0.925057 Mn\n0.083967 0.536701 0.076950 O\n0.539782 0.991735 0.076703 O\n0.335499 0.941003 0.277256 O\n0.534312 0.542789 0.077556 O\n0.448818 0.718711 0.168246 O\n0.051778 0.029699 0.081814 O\n0.215111 0.603008 0.372270 O\n0.416938 0.212231 0.173341 O\n0.961461 0.756853 0.173435 O\n0.889861 0.940615 0.278120 O\n0.337371 0.388069 0.278037 O\n0.131810 0.787420 0.476398 O\n0.133745 0.342484 0.477063 O\n0.043737 0.521720 0.566245 O\n0.247443 0.118539 0.367032 O\n0.965909 0.205818 0.172440 O\n0.767598 0.602414 0.371529 O\n0.859320 0.423057 0.283054 O\n0.654231 0.827068 0.482082 O\n0.018136 0.008638 0.570519 O\n0.767332 0.154984 0.372287 O\n0.365411 0.961800 0.772746 O\n0.562266 0.553964 0.570797 O\n0.686731 0.342677 0.476621 O\n0.482400 0.742438 0.678358 O\n0.843396 0.922642 0.767070 O\n0.937076 0.741930 0.678575 O\n0.251914 0.630895 0.882877 O\n0.561164 0.008357 0.570642 O\n0.454687 0.228685 0.682921 O\n0.364074 0.407452 0.772354 O\n0.163975 0.807644 0.972813 O\n0.810311 0.406632 0.772626 O\n0.609601 0.807768 0.971870 O\n0.162951 0.360870 0.971798 O\n0.284430 0.146275 0.877649 O\n0.936632 0.197278 0.678490 O\n0.731465 0.593510 0.877632 O\n0.731663 0.146470 0.878072 O\n0.640901 0.325283 0.966890 O\n",
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"elements": [
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],
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"density_atomic": 0.10163094171710439,
"volume": 688.7666178952572,
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"formula_full": "Li10 Ti2 Mn18 O40",
"formula_reduced": "Li5TiMn9O20",
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"energy": -545.71165715,
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{
"id": "mp-758381",
"created_at": "2022-09-04T14:42:49.699865Z",
"structure_string": "Nb1 Fe3 Co2 P6 O24\n1.0\n7.398577 -4.345700 0.000000\n7.398577 4.345700 0.000000\n4.846045 0.000000 7.080954\nNb Fe Co P O\n1 3 2 6 24\ndirect\n0.857783 0.857783 0.857783 Nb\n0.355504 0.355504 0.355504 Fe\n0.146314 0.146314 0.146314 Fe\n0.644079 0.644079 0.644079 Fe\n0.007072 0.007072 0.007072 Co\n0.500359 0.500359 0.500359 Co\n0.449323 0.746399 0.047425 P\n0.746399 0.047425 0.449323 P\n0.047425 0.449323 0.746399 P\n0.954440 0.538908 0.256862 P\n0.256862 0.954440 0.538908 P\n0.538908 0.256862 0.954440 P\n0.683048 0.888733 0.495606 O\n0.888733 0.495606 0.683048 O\n0.495606 0.683048 0.888733 O\n0.258057 0.910010 0.060918 O\n0.614328 0.816489 0.994851 O\n0.444309 0.591260 0.241645 O\n0.910010 0.060918 0.258057 O\n0.591260 0.241645 0.444309 O\n0.995809 0.387849 0.184096 O\n0.241645 0.444309 0.591260 O\n0.937362 0.739057 0.092174 O\n0.184096 0.995809 0.387849 O\n0.816489 0.994851 0.614328 O\n0.060918 0.258057 0.910010 O\n0.757793 0.557939 0.411234 O\n0.994851 0.614328 0.816489 O\n0.411234 0.757793 0.557939 O\n0.092174 0.937362 0.739057 O\n0.557939 0.411234 0.757793 O\n0.387849 0.184096 0.995809 O\n0.739057 0.092174 0.937362 O\n0.505570 0.314792 0.112622 O\n0.112622 0.505570 0.314792 O\n0.314792 0.112622 0.505570 O\n",
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"formula_full": "Nb1 Fe3 Co2 P6 O24",
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{
"id": "mp-1177787",
"created_at": "2022-09-04T14:42:49.692126Z",
"structure_string": "Li12 V6 F36\n1.0\n8.537394 0.000000 0.000000\n4.110861 7.542196 0.000000\n0.855447 0.371679 10.192753\nLi V F\n12 6 36\ndirect\n0.124945 0.542001 0.546496 Li\n0.527789 0.118491 0.048550 Li\n0.326384 0.639619 0.030395 Li\n0.379266 0.663454 0.473981 Li\n0.283179 0.002268 0.220277 Li\n0.698606 0.007670 0.771434 Li\n0.802193 0.195563 0.254595 Li\n0.677972 0.371778 0.963928 Li\n0.867643 0.452087 0.454472 Li\n0.648688 0.948241 0.436504 Li\n0.001364 0.282546 0.724473 Li\n0.950670 0.643512 0.934772 Li\n0.008695 0.994553 0.504433 V\n0.332090 0.338697 0.293744 V\n0.999596 0.000040 0.000854 V\n0.335586 0.339542 0.790342 V\n0.669631 0.661631 0.204356 V\n0.653537 0.674828 0.708737 V\n0.068330 0.070969 0.338076 F\n0.064667 0.077738 0.845760 F\n0.109192 0.419251 0.392291 F\n0.119583 0.415178 0.887220 F\n0.274800 0.226645 0.164596 F\n0.227518 0.273352 0.666888 F\n0.090432 0.761075 0.448044 F\n0.419747 0.119729 0.381943 F\n0.256059 0.541407 0.192149 F\n0.087257 0.762518 0.947476 F\n0.430787 0.116701 0.884377 F\n0.252165 0.555393 0.692142 F\n0.397435 0.436787 0.425165 F\n0.226259 0.913028 0.070716 F\n0.562911 0.246713 0.196934 F\n0.428773 0.415621 0.928252 F\n0.238670 0.910367 0.550849 F\n0.551430 0.249059 0.699279 F\n0.446943 0.751139 0.300220 F\n0.781952 0.074244 0.428119 F\n0.574058 0.579056 0.077457 F\n0.450526 0.737762 0.801964 F\n0.763140 0.081101 0.933896 F\n0.591026 0.586370 0.569308 F\n0.752162 0.439728 0.299846 F\n0.576531 0.889808 0.122719 F\n0.897442 0.233817 0.065755 F\n0.759721 0.446877 0.803868 F\n0.600702 0.886138 0.612238 F\n0.934835 0.228330 0.563637 F\n0.753076 0.731453 0.342954 F\n0.752765 0.763275 0.828708 F\n0.875470 0.593899 0.104953 F\n0.887009 0.571139 0.615430 F\n0.913625 0.945517 0.155174 F\n0.914480 0.941328 0.657610 F\n",
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{
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"structure_string": "Na1 Ca3 Fe4 Si8 O24\n1.0\n4.774631 5.984460 0.000000\n-4.774631 5.984460 0.000000\n0.000000 5.539382 9.275644\nNa Ca Fe Si O\n1 3 4 8 24\ndirect\n0.658178 0.341822 0.500000 Na\n0.126882 0.873118 0.000000 Ca\n0.363277 0.131292 0.261300 Ca\n0.868708 0.636723 0.738700 Ca\n0.738884 0.261116 0.000000 Fe\n0.762539 0.726292 0.263406 Fe\n0.299666 0.700334 0.500000 Fe\n0.273708 0.237461 0.736594 Fe\n0.625745 0.843098 0.508606 Si\n0.335773 0.627140 0.751732 Si\n0.116207 0.341538 0.000236 Si\n0.156902 0.374255 0.491394 Si\n0.837426 0.122569 0.256553 Si\n0.877431 0.162573 0.743447 Si\n0.658462 0.883793 0.999764 Si\n0.372860 0.664227 0.248268 Si\n0.917402 0.951384 0.189948 O\n0.452663 0.910373 0.442539 O\n0.520369 0.765141 0.692508 O\n0.754186 0.341969 0.791455 O\n0.411282 0.476877 0.663719 O\n0.658031 0.245814 0.208545 O\n0.257836 0.528075 0.931983 O\n0.234859 0.479631 0.307492 O\n0.832813 0.754976 0.053019 O\n0.946451 0.427017 0.933606 O\n0.754417 0.666531 0.463188 O\n0.025123 0.263334 0.183636 O\n0.968831 0.239975 0.559984 O\n0.250386 0.838755 0.306839 O\n0.048616 0.082598 0.810052 O\n0.161245 0.749614 0.693161 O\n0.760025 0.031169 0.440016 O\n0.736666 0.974877 0.816364 O\n0.333469 0.245583 0.536812 O\n0.572983 0.053549 0.066394 O\n0.245024 0.167187 0.946981 O\n0.471925 0.742164 0.068017 O\n0.523123 0.588718 0.336281 O\n0.089627 0.547337 0.557461 O\n",
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