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{
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{
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{
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{
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"created_at": "2022-09-04T14:47:21.793521Z",
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Nd\n0.862857 0.169189 0.873810 Nd\n0.138868 0.629571 0.306718 Nd\n0.361132 0.129571 0.693282 Nd\n0.861132 0.370429 0.693282 Nd\n0.638868 0.870429 0.306718 Nd\n0.269342 0.418420 0.472406 Mo\n0.230658 0.918420 0.527594 Mo\n0.730658 0.581580 0.527594 Mo\n0.769342 0.081580 0.472406 Mo\n0.072026 0.776227 0.476727 Mo\n0.427974 0.276227 0.523273 Mo\n0.927974 0.223773 0.523273 Mo\n0.572026 0.723773 0.476727 Mo\n0.429820 0.440870 0.653094 Mo\n0.070180 0.940870 0.346906 Mo\n0.570180 0.559130 0.346906 Mo\n0.929820 0.059130 0.653094 Mo\n0.583041 0.600725 0.650378 Mo\n0.916959 0.100725 0.349622 Mo\n0.416959 0.399275 0.349622 Mo\n0.083041 0.899275 0.650378 Mo\n0.585145 0.428224 0.523902 Mo\n0.914855 0.928224 0.476098 Mo\n0.414855 0.571776 0.476098 Mo\n0.085145 0.071776 0.523902 Mo\n0.227698 0.496147 0.959349 Mo\n0.272302 0.996147 0.040651 Mo\n0.772302 0.503853 0.040651 Mo\n0.727698 0.003853 0.959349 Mo\n0.081895 0.512020 0.793884 Mo\n0.418105 0.012020 0.206116 Mo\n0.918105 0.487980 0.206116 Mo\n0.581895 0.987980 0.793884 Mo\n0.935193 0.654811 0.074700 Mo\n0.564807 0.154811 0.925300 Mo\n0.064807 0.345189 0.925300 Mo\n0.435193 0.845189 0.074700 Mo\n0.081832 0.643431 0.951428 Mo\n0.418168 0.143431 0.048572 Mo\n0.918168 0.356569 0.048572 Mo\n0.581832 0.856569 0.951428 Mo\n0.079650 0.489544 0.092525 Mo\n0.420350 0.989544 0.907475 Mo\n0.920350 0.510456 0.907475 Mo\n0.579650 0.010456 0.092525 Mo\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.732489 0.606720 0.671498 O\n0.767511 0.106720 0.328502 O\n0.267511 0.393280 0.328502 O\n0.232489 0.893280 0.671498 O\n0.274909 0.441606 0.619281 O\n0.225091 0.941606 0.380719 O\n0.725091 0.558394 0.380719 O\n0.774909 0.058394 0.619281 O\n0.242140 0.066750 0.544552 O\n0.257860 0.566750 0.455448 O\n0.757860 0.933250 0.455448 O\n0.742140 0.433250 0.544552 O\n0.225911 0.766979 0.514818 O\n0.274089 0.266979 0.485182 O\n0.774089 0.233021 0.485182 O\n0.725911 0.733021 0.514818 O\n0.889007 0.590512 0.537637 O\n0.610993 0.090512 0.462363 O\n0.110993 0.409488 0.462363 O\n0.389007 0.909488 0.537637 O\n0.079151 0.750775 0.626762 O\n0.420849 0.250775 0.373238 O\n0.920849 0.249225 0.373238 O\n0.579151 0.749225 0.626762 O\n0.928649 0.212068 0.668821 O\n0.571351 0.712068 0.331179 O\n0.071351 0.787932 0.331179 O\n0.428649 0.287932 0.668821 O\n0.076410 0.219298 0.536978 O\n0.423590 0.719298 0.463022 O\n0.923590 0.780702 0.463022 O\n0.576410 0.280702 0.536978 O\n0.943360 0.373814 0.553399 O\n0.556640 0.873814 0.446601 O\n0.056640 0.626186 0.446601 O\n0.443360 0.126186 0.553399 O\n0.923102 0.901180 0.630559 O\n0.576898 0.401180 0.369441 O\n0.076898 0.098820 0.369441 O\n0.423102 0.598820 0.630559 O\n0.092344 0.049655 0.677435 O\n0.407656 0.549655 0.322565 O\n0.907656 0.950345 0.322565 O\n0.592344 0.450345 0.677435 O\n0.953095 0.044597 0.805958 O\n0.546905 0.544597 0.194042 O\n0.046905 0.955403 0.194042 O\n0.453095 0.455403 0.805958 O\n0.079959 0.885797 0.793709 O\n0.420041 0.385797 0.206291 O\n0.920041 0.114203 0.206291 O\n0.579959 0.614203 0.793709 O\n0.235929 0.641931 0.970382 O\n0.264071 0.141931 0.029618 O\n0.764071 0.358069 0.029618 O\n0.735929 0.858069 0.970382 O\n0.219186 0.346704 0.958095 O\n0.280814 0.846704 0.041905 O\n0.780814 0.653296 0.041905 O\n0.719186 0.153296 0.958095 O\n0.264443 0.978611 0.888833 O\n0.235557 0.478611 0.111167 O\n0.735557 0.021389 0.111167 O\n0.764443 0.521389 0.888833 O\n0.231136 0.481993 0.813136 O\n0.268864 0.981993 0.186864 O\n0.768864 0.518007 0.186864 O\n0.731136 0.018007 0.813136 O\n0.888457 0.006243 0.996637 O\n0.611543 0.506243 0.003363 O\n0.111543 0.993757 0.003363 O\n0.388457 0.493757 0.996637 O\n0.081963 0.660736 0.803059 O\n0.418037 0.160736 0.196941 O\n0.918037 0.339264 0.196941 O\n0.581963 0.839264 0.803059 O\n0.049430 0.364754 0.771824 O\n0.450570 0.864754 0.228176 O\n0.950570 0.635246 0.228176 O\n0.549430 0.135246 0.771824 O\n0.924368 0.527667 0.755123 O\n0.575632 0.027667 0.244877 O\n0.075632 0.472333 0.244877 O\n0.424368 0.972333 0.755123 O\n0.090389 0.518216 0.637785 O\n0.409611 0.018216 0.362215 O\n0.909611 0.481784 0.362215 O\n0.590389 0.981784 0.637785 O\n0.924015 0.665912 0.916233 O\n0.575985 0.165912 0.083767 O\n0.075985 0.334088 0.083767 O\n0.424015 0.834088 0.916233 O\n0.904030 0.353494 0.889838 O\n0.595970 0.853494 0.110162 O\n0.095970 0.646506 0.110162 O\n0.404030 0.146506 0.889838 O\n0.044339 0.196070 0.927721 O\n0.455661 0.696070 0.072279 O\n0.955661 0.803930 0.072279 O\n0.544339 0.303930 0.927721 O\n0.094909 0.790378 0.958594 O\n0.405091 0.290378 0.041406 O\n0.905091 0.209622 0.041406 O\n0.594909 0.709622 0.958594 O\n0.747618 0.267094 0.751914 O\n0.752382 0.767094 0.248086 O\n0.252382 0.732906 0.248086 O\n0.247618 0.232906 0.751914 O\n0.824770 0.793229 0.760855 O\n0.675230 0.293229 0.239145 O\n0.175230 0.206771 0.239145 O\n0.324770 0.706771 0.760855 O\n",
"nsites": 186,
"nelements": 3,
"elements": [
"Nd",
"Mo",
"O"
],
"chemical_system": "Mo-Nd-O",
"density": 6.838567352032538,
"density_atomic": 0.07339166954082448,
"volume": 2534.347578733532,
"volume_molar": 8.205482717149737,
"formula_full": "Nd32 Mo42 O112",
"formula_reduced": "Nd16(Mo3O8)7",
"formula_anonymous": "A16B21C56",
"energy": -1631.6214539200002,
"energy_per_atom": -8.772158354408603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1420.19345392,
"band_gap": 1.0632,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 20.0000002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.883000Z",
"spacegroup": 14
},
{
"id": "mp-680143",
"created_at": "2022-09-04T14:39:33.182020Z",
"structure_string": "Ge18 Pb66 O102\n1.0\n7.457529 0.009228 -0.671732\n-2.736536 20.060858 -0.836253\n-0.000921 -0.007659 22.618643\nGe Pb O\n18 66 102\ndirect\n0.112658 0.222169 0.576698 Ge\n0.114716 0.028709 0.854468 Ge\n0.165259 0.445648 0.423595 Ge\n0.885284 0.971291 0.145532 Ge\n0.517902 0.110182 0.417205 Ge\n0.080035 0.506540 0.845343 Ge\n0.782212 0.359907 0.850403 Ge\n0.834741 0.554352 0.576405 Ge\n0.408212 0.175772 0.853692 Ge\n0.919965 0.493460 0.154657 Ge\n0.217788 0.640093 0.149597 Ge\n0.761378 0.840874 0.855415 Ge\n0.549440 0.305020 0.149937 Ge\n0.591788 0.824228 0.146308 Ge\n0.482098 0.889818 0.582795 Ge\n0.450560 0.694980 0.850063 Ge\n0.887342 0.777831 0.423302 Ge\n0.238622 0.159126 0.144585 Ge\n0.088535 0.416235 0.995097 Pb\n0.307458 0.460555 0.722032 Pb\n0.918953 0.884608 0.294297 Pb\n0.111771 0.710189 0.298741 Pb\n0.252221 0.749073 0.008049 Pb\n0.660014 0.622248 0.720133 Pb\n0.947562 0.611250 0.420752 Pb\n0.319767 0.274407 0.413437 Pb\n0.680233 0.725593 0.586563 Pb\n0.408317 0.883175 0.281159 Pb\n0.588480 0.519287 0.862940 Pb\n0.293781 0.953659 0.726848 Pb\n0.287622 0.351566 0.863859 Pb\n0.629891 0.015425 0.863416 Pb\n0.712378 0.648434 0.136141 Pb\n0.986561 0.787798 0.721539 Pb\n0.013439 0.212202 0.278461 Pb\n0.832435 0.370620 0.301247 Pb\n0.920942 0.196384 0.862060 Pb\n0.512652 0.377685 0.572100 Pb\n0.434987 0.286158 0.718124 Pb\n0.692542 0.539445 0.277968 Pb\n0.339986 0.377752 0.279867 Pb\n0.585364 0.417846 0.007637 Pb\n0.706219 0.046341 0.273152 Pb\n0.370109 0.984575 0.136584 Pb\n0.411520 0.480713 0.137060 Pb\n0.913650 0.086902 0.006635 Pb\n0.565013 0.713842 0.281876 Pb\n0.166339 0.725478 0.557667 Pb\n0.081047 0.115392 0.705703 Pb\n0.221585 0.954814 0.441805 Pb\n0.643537 0.456173 0.424530 Pb\n0.167565 0.629380 0.698753 Pb\n0.789143 0.454694 0.703859 Pb\n0.747843 0.149822 0.134652 Pb\n0.052438 0.388750 0.579248 Pb\n0.987007 0.877344 0.578503 Pb\n0.717033 0.953353 0.414685 Pb\n0.414636 0.582154 0.992363 Pb\n0.210857 0.545306 0.296141 Pb\n0.356463 0.543827 0.575470 Pb\n0.252157 0.850178 0.865348 Pb\n0.754887 0.748495 0.997484 Pb\n0.051050 0.323546 0.136935 Pb\n0.591683 0.116825 0.718841 Pb\n0.487348 0.622315 0.427900 Pb\n0.086350 0.913098 0.993365 Pb\n0.888229 0.289811 0.701259 Pb\n0.410730 0.081477 0.997755 Pb\n0.522625 0.213399 0.288328 Pb\n0.199145 0.048085 0.286017 Pb\n0.477375 0.786601 0.711672 Pb\n0.833661 0.274522 0.442333 Pb\n0.948950 0.676454 0.863065 Pb\n0.800855 0.951915 0.713983 Pb\n0.282967 0.046647 0.585315 Pb\n0.589270 0.918523 0.002245 Pb\n0.079058 0.803616 0.137940 Pb\n0.012993 0.122656 0.421497 Pb\n0.584566 0.202631 0.574725 Pb\n0.245113 0.251505 0.002516 Pb\n0.778415 0.045186 0.558195 Pb\n0.747779 0.250927 0.991951 Pb\n0.911465 0.583765 0.004903 Pb\n0.415434 0.797369 0.425275 Pb\n0.299163 0.688152 0.216015 O\n0.239042 0.302249 0.601012 O\n0.362355 0.477242 0.038786 O\n0.968689 0.591312 0.315706 O\n0.920299 0.431105 0.823931 O\n0.392081 0.783659 0.321190 O\n0.623947 0.179360 0.893236 O\n0.277666 0.234057 0.883469 O\n0.313398 0.058379 0.689767 O\n0.590780 0.773418 0.869179 O\n0.976907 0.105230 0.310659 O\n0.267569 0.483845 0.890215 O\n0.879925 0.791826 0.499756 O\n0.315409 0.854512 0.963144 O\n0.423626 0.903403 0.395606 O\n0.641830 0.060340 0.372950 O\n0.926910 0.433323 0.402129 O\n0.385751 0.565638 0.682105 O\n0.197951 0.962740 0.891641 O\n0.969118 0.193333 0.960976 O\n0.552394 0.633748 0.888647 O\n0.031311 0.408688 0.684294 O\n0.637645 0.522758 0.961214 O\n0.358170 0.939660 0.627050 O\n0.706224 0.730767 0.691394 O\n0.030882 0.806667 0.039024 O\n0.604741 0.390310 0.885889 O\n0.043889 0.437428 0.117649 O\n0.397389 0.056270 0.464205 O\n0.308074 0.357991 0.962110 O\n0.802049 0.037260 0.108359 O\n0.040021 0.178368 0.103468 O\n0.981235 0.773484 0.616415 O\n0.576374 0.096597 0.604394 O\n0.741167 0.475507 0.601149 O\n0.108360 0.769466 0.400289 O\n0.018765 0.226516 0.383585 O\n0.376053 0.820640 0.106764 O\n0.594801 0.821984 0.224728 O\n0.930349 0.061805 0.883482 O\n0.073090 0.566677 0.597871 O\n0.433546 0.683129 0.771032 O\n0.334548 0.707129 0.641563 O\n0.639558 0.849139 0.627769 O\n0.956111 0.562572 0.882351 O\n0.690135 0.907798 0.130795 O\n0.139176 0.532628 0.775143 O\n0.654469 0.351757 0.663274 O\n0.602611 0.943730 0.535795 O\n0.409220 0.226582 0.130821 O\n0.667214 0.908794 0.886652 O\n0.345531 0.648243 0.336726 O\n0.614249 0.434362 0.317895 O\n0.079701 0.568895 0.176069 O\n0.747373 0.617758 0.619129 O\n0.924153 0.315032 0.895789 O\n0.023093 0.894770 0.689341 O\n0.917794 0.026735 0.646511 O\n0.405199 0.178016 0.775272 O\n0.311782 0.831545 0.540847 O\n0.228121 0.442020 0.500169 O\n0.360442 0.150861 0.372231 O\n0.309865 0.092202 0.869205 O\n0.891640 0.230534 0.599711 O\n0.063165 0.011857 0.776126 O\n0.750572 0.285116 0.121785 O\n0.252627 0.382242 0.380871 O\n0.700837 0.311848 0.783985 O\n0.120075 0.208174 0.500244 O\n0.370626 0.974871 0.038909 O\n0.760958 0.697751 0.398988 O\n0.038517 0.314235 0.039006 O\n0.771879 0.557980 0.499831 O\n0.332851 0.442373 0.617353 O\n0.395259 0.609690 0.114111 O\n0.959979 0.821632 0.896532 O\n0.684591 0.145488 0.036856 O\n0.075847 0.684968 0.104211 O\n0.332786 0.091206 0.113348 O\n0.722334 0.765943 0.116531 O\n0.211528 0.153643 0.220937 O\n0.686602 0.941621 0.310233 O\n0.936835 0.988143 0.223874 O\n0.961483 0.685765 0.960994 O\n0.788472 0.846357 0.779063 O\n0.205787 0.159376 0.618419 O\n0.607919 0.216341 0.678810 O\n0.732431 0.516155 0.109785 O\n0.688218 0.168455 0.459153 O\n0.069651 0.938195 0.116518 O\n0.082206 0.973265 0.353489 O\n0.293776 0.269233 0.308606 O\n0.665452 0.292871 0.358437 O\n0.794213 0.840624 0.381581 O\n0.667149 0.557627 0.382647 O\n0.566454 0.316871 0.228968 O\n0.629374 0.025129 0.961091 O\n0.860824 0.467372 0.224857 O\n0.447606 0.366252 0.111353 O\n0.258833 0.524493 0.398851 O\n0.249428 0.714884 0.878215 O\n0.691926 0.642009 0.037890 O\n",
"nsites": 186,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 8.152029640875607,
"density_atomic": 0.05495891747645135,
"volume": 3384.3461359968887,
"volume_molar": 10.957531619105037,
"formula_full": "Ge18 Pb66 O102",
"formula_reduced": "Ge3Pb11O17",
"formula_anonymous": "A3B11C17",
"energy": -1146.38460823,
"energy_per_atom": -6.163358108763441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1076.31060823,
"band_gap": 2.1855999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.455000Z",
"spacegroup": 2
},
{
"id": "mp-680136",
"created_at": "2022-09-04T14:39:26.965172Z",
"structure_string": "Cd26 In52 Se108\n1.0\n17.512644 0.000000 0.000000\n0.000000 17.519995 0.000000\n0.000000 0.000000 18.372310\nCd In Se\n26 52 108\ndirect\n0.833858 0.333456 0.166288 Cd\n0.001384 0.834074 0.835492 Cd\n0.666142 0.833456 0.833712 Cd\n0.500086 0.333406 0.498805 Cd\n0.666698 0.167346 0.834165 Cd\n0.334557 0.501369 0.834776 Cd\n0.333858 0.166544 0.833712 Cd\n0.498616 0.334074 0.164508 Cd\n0.665443 0.498631 0.834776 Cd\n0.000086 0.166594 0.501195 Cd\n0.998616 0.165926 0.835492 Cd\n0.333302 0.832654 0.834165 Cd\n0.165443 0.001369 0.165224 Cd\n0.166142 0.666544 0.166288 Cd\n0.500000 0.000000 0.165828 Cd\n0.500000 0.000000 0.498898 Cd\n0.834557 0.998631 0.165224 Cd\n0.833302 0.667346 0.165835 Cd\n0.000000 0.500000 0.501102 Cd\n0.500000 0.500000 0.000141 Cd\n0.999914 0.833406 0.501195 Cd\n0.166698 0.332654 0.165835 Cd\n0.499914 0.666594 0.498805 Cd\n0.000000 0.000000 0.999859 Cd\n0.501384 0.665926 0.164508 Cd\n0.000000 0.500000 0.834172 Cd\n0.830442 0.834251 0.666041 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In\n0.500069 0.166613 0.333718 In\n0.831588 0.164430 0.333597 In\n0.669558 0.334251 0.333959 In\n0.830603 0.500319 0.665856 In\n0.330603 0.999681 0.334144 In\n0.665849 0.665522 0.001197 In\n0.168550 0.168651 0.333440 In\n0.168593 0.501536 0.333563 In\n0.831450 0.831349 0.333440 In\n0.000069 0.666969 0.333100 In\n0.668593 0.998464 0.666437 In\n0.833001 0.500105 0.999906 In\n0.330541 0.332813 0.333667 In\n0.168412 0.835570 0.333597 In\n0.666999 0.000105 0.000094 In\n0.334324 0.665846 0.998939 In\n0.169397 0.499681 0.665856 In\n0.999931 0.333031 0.333100 In\n0.999850 0.666946 0.999863 In\n0.092992 0.407406 0.421621 Se\n0.573896 0.259292 0.755711 Se\n0.244945 0.921762 0.422891 Se\n0.074129 0.759226 0.088377 Se\n0.241412 0.592307 0.756221 Se\n0.592992 0.092594 0.578379 Se\n0.574217 0.592474 0.755881 Se\n0.091192 0.076506 0.754808 Se\n0.574022 0.925934 0.755429 Se\n0.907008 0.592594 0.421621 Se\n0.592554 0.241041 0.088717 Se\n0.592889 0.907366 0.422087 Se\n0.240939 0.074342 0.911370 Se\n0.740939 0.425658 0.088630 Se\n0.593227 0.240818 0.421860 Se\n0.425740 0.925629 0.911619 Se\n0.241780 0.925636 0.756850 Se\n0.408671 0.909506 0.245739 Se\n0.074260 0.425629 0.088381 Se\n0.426104 0.740708 0.755711 Se\n0.758685 0.592370 0.911289 Se\n0.758220 0.074364 0.756850 Se\n0.073896 0.240708 0.244289 Se\n0.906811 0.258918 0.421730 Se\n0.744758 0.244679 0.577233 Se\n0.592407 0.907577 0.088469 Se\n0.907173 0.073976 0.578501 Se\n0.258685 0.907630 0.088711 Se\n0.591329 0.090494 0.245739 Se\n0.074697 0.094108 0.089843 Se\n0.241891 0.258711 0.756346 Se\n0.593189 0.758918 0.578270 Se\n0.741780 0.574364 0.243150 Se\n0.907593 0.407577 0.911531 Se\n0.591192 0.423494 0.245192 Se\n0.258220 0.425636 0.243150 Se\n0.258588 0.092307 0.243779 Se\n0.408808 0.576506 0.245192 Se\n0.925303 0.905892 0.089843 Se\n0.926104 0.759292 0.244289 Se\n0.925978 0.425934 0.244571 Se\n0.259061 0.574342 0.088630 Se\n0.925871 0.240774 0.088377 Se\n0.407111 0.092634 0.422087 Se\n0.741891 0.241289 0.243654 Se\n0.408912 0.242452 0.245902 Se\n0.744945 0.578238 0.577109 Se\n0.407173 0.426024 0.421499 Se\n0.741412 0.907693 0.243779 Se\n0.407446 0.758959 0.088717 Se\n0.425783 0.407526 0.755881 Se\n0.407593 0.092423 0.088469 Se\n0.574697 0.405892 0.910157 Se\n0.074022 0.574066 0.244571 Se\n0.591088 0.757548 0.245902 Se\n0.907111 0.407366 0.577913 Se\n0.094214 0.925266 0.909842 Se\n0.908671 0.590494 0.754261 Se\n0.745893 0.913081 0.577069 Se\n0.407008 0.907406 0.578379 Se\n0.093112 0.074112 0.421440 Se\n0.255055 0.421762 0.577109 Se\n0.754107 0.413081 0.422931 Se\n0.425978 0.074066 0.755429 Se\n0.758588 0.407693 0.756221 Se\n0.906888 0.925888 0.421440 Se\n0.093189 0.741082 0.421730 Se\n0.758109 0.741289 0.756346 Se\n0.244758 0.255321 0.422767 Se\n0.905786 0.074734 0.909842 Se\n0.907446 0.741041 0.911283 Se\n0.425871 0.259226 0.911623 Se\n0.925740 0.574371 0.088381 Se\n0.759061 0.925658 0.911370 Se\n0.259056 0.240898 0.088090 Se\n0.908912 0.257548 0.754098 Se\n0.093227 0.259182 0.578140 Se\n0.574260 0.074371 0.911619 Se\n0.255242 0.755321 0.577233 Se\n0.755242 0.744679 0.422767 Se\n0.908808 0.923494 0.754808 Se\n0.406773 0.759182 0.421860 Se\n0.258109 0.758711 0.243654 Se\n0.091329 0.409506 0.754261 Se\n0.740944 0.759102 0.088090 Se\n0.241315 0.407630 0.911289 Se\n0.254107 0.086919 0.577069 Se\n0.925783 0.092474 0.244119 Se\n0.906773 0.740818 0.578140 Se\n0.592827 0.573976 0.421499 Se\n0.405786 0.425266 0.090158 Se\n0.759056 0.259102 0.911910 Se\n0.594214 0.574734 0.090158 Se\n0.593112 0.425888 0.578560 Se\n0.240944 0.740898 0.911910 Se\n0.755055 0.078238 0.422891 Se\n0.092407 0.592423 0.911531 Se\n0.074217 0.907526 0.244119 Se\n0.091088 0.742452 0.754098 Se\n0.406888 0.574112 0.578560 Se\n0.574129 0.740774 0.911623 Se\n0.092827 0.926024 0.578501 Se\n0.092554 0.258959 0.911283 Se\n0.741315 0.092370 0.088711 Se\n0.092889 0.592634 0.577913 Se\n0.245893 0.586919 0.422931 Se\n0.406811 0.241082 0.578270 Se\n0.425303 0.594108 0.910157 Se\n",
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"nelements": 3,
"elements": [
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"In",
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],
"chemical_system": "Cd-In-Se",
"density": 5.131806507604155,
"density_atomic": 0.032996166182298975,
"volume": 5637.018524284831,
"volume_molar": 18.251031731167057,
"formula_full": "Cd26 In52 Se108",
"formula_reduced": "Cd13(In13Se27)2",
"formula_anonymous": "A13B26C54",
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"updated_at": "2021-11-28T01:34:39.234000Z",
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},
{
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"formula_full": "Ni2 H96 C36 S12 N28 O12",
"formula_reduced": "NiH48C18S6(N7O3)2",
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"energy": -1061.77155622,
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"updated_at": "2021-11-28T01:37:54.285000Z",
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},
{
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"elements": [
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],
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"density": 2.8180204947655336,
"density_atomic": 0.06716494891971346,
"volume": 2754.412874208276,
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"formula_full": "K20 Nb10 Si40 O115",
"formula_reduced": "K4Nb2Si8O23",
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"updated_at": "2021-11-28T01:35:13.131000Z",
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},
{
"id": "mp-646122",
"created_at": "2022-09-04T14:42:22.485765Z",
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],
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"formula_full": "C160 Cl24",
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"updated_at": "2021-11-28T01:35:47.291000Z",
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}
]
}