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{
"count": 146323,
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"results": [
{
"id": "mp-686372",
"created_at": "2022-09-04T14:46:18.215046Z",
"structure_string": "Na34 Pd30 F96\n1.0\n6.529708 -0.071681 -2.065721\n-0.948170 6.044373 -3.262108\n0.171506 1.232894 59.447929\nNa Pd F\n34 30 96\ndirect\n0.497589 0.237851 0.874299 Na\n0.491411 0.756502 0.874255 Na\n0.000239 0.500250 0.625063 Na\n0.001130 0.001662 0.562844 Na\n0.499403 0.240469 0.749832 Na\n0.500167 0.759333 0.750111 Na\n0.998885 0.498475 0.937085 Na\n0.996961 0.489648 0.873307 Na\n0.499839 0.240701 0.624950 Na\n0.500609 0.759895 0.625225 Na\n0.998933 0.998442 0.812212 Na\n0.999056 0.499731 0.812282 Na\n0.000770 0.501251 0.312812 Na\n0.999788 0.499718 0.749928 Na\n0.508742 0.243685 0.500718 Na\n0.502333 0.761795 0.500660 Na\n0.999958 -0.000004 0.687483 Na\n-0.000012 0.499851 0.687482 Na\n0.506242 0.241706 0.375250 Na\n0.494716 0.759127 0.374968 Na\n0.000945 0.500524 0.562756 Na\n0.002973 0.510404 0.501703 Na\n0.506009 0.242287 0.250344 Na\n0.500666 0.760040 0.250312 Na\n0.999291 0.506066 0.999811 Na\n0.001048 0.500846 0.437815 Na\n0.000537 0.500851 0.375179 Na\n0.493858 0.238841 0.124424 Na\n0.499190 0.758304 0.124867 Na\n0.000492 0.500351 0.250852 Na\n0.499269 0.240051 0.999764 Na\n0.499837 0.759400 0.000016 Na\n0.999665 0.493203 0.124131 Na\n0.999493 0.999100 0.062310 Na\n0.000973 0.002169 0.875300 Pd\n-0.000278 -0.000259 0.749926 Pd\n0.476580 0.741167 0.933551 Pd\n0.524127 0.259498 0.941585 Pd\n-0.000044 0.000184 0.625064 Pd\n0.476125 0.732977 0.808450 Pd\n0.524514 0.267472 0.816634 Pd\n-0.000585 0.998014 0.499735 Pd\n0.999403 0.998972 0.937315 Pd\n0.476587 0.733571 0.683523 Pd\n0.523891 0.266690 0.691541 Pd\n0.000189 0.000307 0.375076 Pd\n0.475787 0.732648 0.558457 Pd\n0.523511 0.267007 0.566483 Pd\n0.000263 0.000569 0.312593 Pd\n0.998407 -0.000589 0.249633 Pd\n0.475727 0.739363 0.433420 Pd\n0.523605 0.259910 0.441497 Pd\n0.001495 0.001844 0.125282 Pd\n0.475415 0.738461 0.308340 Pd\n0.523745 0.260925 0.316512 Pd\n-0.000086 0.998333 0.000003 Pd\n0.000631 0.001287 0.437855 Pd\n0.475667 0.733697 0.183456 Pd\n0.524238 0.266436 0.191496 Pd\n0.476589 0.726827 0.058536 Pd\n0.524274 0.273300 0.066582 Pd\n-0.000049 0.500709 0.187589 Pd\n0.999913 0.999837 0.187341 Pd\n-0.000276 0.498872 0.062257 Pd\n0.116844 0.723998 0.983204 F\n0.116314 0.138948 0.982183 F\n0.173202 0.721840 0.928632 F\n0.223575 0.245855 0.938944 F\n0.121899 0.143987 0.858788 F\n0.119118 0.727885 0.858972 F\n0.545254 0.898199 0.972982 F\n0.176348 0.712956 0.803434 F\n0.393687 0.574006 0.894232 F\n0.228707 0.253391 0.813594 F\n0.609096 0.425693 0.981170 F\n0.455183 0.104471 0.902356 F\n0.122802 0.145525 0.733877 F\n0.120534 0.727542 0.733765 F\n0.548512 0.894343 0.848082 F\n0.176217 0.712443 0.678282 F\n0.394338 0.573044 0.769131 F\n0.228732 0.252412 0.688379 F\n0.777140 0.754866 0.936247 F\n0.608517 0.430596 0.856276 F\n0.828142 0.279158 0.946622 F\n0.450354 0.105249 0.777245 F\n0.122924 0.145851 0.608958 F\n0.120645 0.727912 0.608829 F\n0.881868 0.276513 0.891665 F\n0.882558 0.861998 0.893108 F\n0.549773 0.894885 0.722826 F\n0.175419 0.711647 0.553120 F\n0.393996 0.572682 0.644086 F\n0.227766 0.252623 0.563383 F\n0.771902 0.747112 0.811526 F\n0.605874 0.427126 0.730869 F\n0.825347 0.288648 0.821968 F\n0.450351 0.105152 0.652181 F\n0.118147 0.723216 0.483319 F\n0.117822 0.138289 0.481942 F\n0.877151 0.854250 0.766062 F\n0.879484 0.272266 0.766193 F\n0.550162 0.894724 0.597792 F\n0.171767 0.720512 0.428385 F\n0.391921 0.569858 0.518854 F\n0.222855 0.245316 0.438763 F\n0.771265 0.747599 0.686622 F\n0.605343 0.426607 0.605777 F\n0.823320 0.287472 0.696695 F\n0.450314 0.105651 0.526873 F\n0.116650 0.724075 0.358553 F\n0.116768 0.137227 0.356847 F\n0.877060 0.854348 0.641094 F\n0.879268 0.272254 0.641205 F\n0.545227 0.895878 0.472662 F\n0.171233 0.719453 0.303302 F\n0.390840 0.570661 0.393818 F\n0.223401 0.246772 0.313854 F\n0.771541 0.746881 0.561496 F\n0.606460 0.426036 0.480795 F\n0.823114 0.287013 0.571542 F\n0.454918 0.104243 0.401993 F\n0.112643 0.718036 0.231903 F\n0.115354 0.138135 0.231715 F\n0.878195 0.856006 0.516272 F\n0.881028 0.272296 0.516058 F\n0.544748 0.894649 0.347781 F\n0.169027 0.712503 0.178183 F\n0.389266 0.571944 0.268673 F\n0.222914 0.254952 0.188925 F\n0.776348 0.753435 0.436088 F\n0.608415 0.428909 0.356051 F\n0.826999 0.278462 0.446386 F\n0.454284 0.103069 0.276988 F\n0.112916 0.719669 0.106823 F\n0.118351 0.145703 0.108501 F\n0.883429 0.863084 0.393212 F\n0.883393 0.276226 0.391511 F\n0.543173 0.894348 0.222970 F\n0.172566 0.706581 0.053455 F\n0.390306 0.573284 0.143742 F\n0.223766 0.262880 0.063947 F\n0.775843 0.752553 0.310962 F\n0.609631 0.430233 0.231254 F\n0.827711 0.279837 0.321530 F\n0.456845 0.103095 0.152044 F\n0.884093 0.862112 0.267950 F\n0.884109 0.275642 0.266623 F\n0.545608 0.894276 0.097981 F\n0.391306 0.569534 0.018930 F\n0.777118 0.745736 0.186051 F\n0.610861 0.429512 0.106305 F\n0.830959 0.287500 0.196797 F\n0.455290 0.108029 0.027236 F\n0.884515 0.859379 0.142835 F\n0.887472 0.282673 0.143428 F\n0.777100 0.737167 0.061198 F\n0.828415 0.293759 0.071666 F\n0.880571 0.855129 0.016655 F\n0.886092 0.279957 0.017939 F\n",
"nsites": 160,
"nelements": 3,
"elements": [
"Na",
"Pd",
"F"
],
"chemical_system": "F-Na-Pd",
"density": 4.0571146375871,
"density_atomic": 0.06742214236474744,
"volume": 2373.107622929201,
"volume_molar": 8.931992589942908,
"formula_full": "Na34 Pd30 F96",
"formula_reduced": "Na17Pd15F48",
"formula_anonymous": "A15B17C48",
"energy": -725.7551649699999,
"energy_per_atom": -4.5359697810625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -681.40316497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5149181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.300000Z",
"spacegroup": 1
},
{
"id": "mp-1245062",
"created_at": "2022-09-04T14:39:20.820060Z",
"structure_string": "Zn50 S50\n1.0\n13.267458 0.209941 -0.305277\n0.205095 13.266326 0.145047\n-0.302705 0.152314 13.489062\nZn S\n50 50\ndirect\n0.512142 0.858684 0.339616 Zn\n0.259316 0.607328 0.352269 Zn\n0.205504 0.735883 0.640932 Zn\n0.037370 0.173752 0.411628 Zn\n0.429459 0.518688 0.733078 Zn\n0.413700 0.155018 0.715199 Zn\n0.628075 0.055657 0.329922 Zn\n0.555871 0.683860 0.700337 Zn\n0.209471 0.623578 0.860174 Zn\n0.558178 0.479849 0.490522 Zn\n0.708727 0.683167 0.188075 Zn\n0.708708 0.732662 0.359043 Zn\n0.381145 0.765910 0.125952 Zn\n0.747281 0.119693 0.813748 Zn\n0.019498 0.221429 0.015139 Zn\n0.956546 0.881463 0.477134 Zn\n0.162786 0.277305 0.665865 Zn\n0.765899 0.280986 0.254636 Zn\n0.839268 0.336894 0.986322 Zn\n0.507224 0.086336 0.561877 Zn\n0.774834 0.910573 0.669793 Zn\n0.303982 0.550244 0.545939 Zn\n0.521767 0.647780 0.944297 Zn\n0.378044 0.849247 0.815384 Zn\n0.875405 0.320984 0.742718 Zn\n0.566744 0.246954 0.651118 Zn\n0.498969 0.284150 0.341615 Zn\n0.855503 0.149528 0.041611 Zn\n0.921904 0.621990 0.496324 Zn\n0.161289 0.731467 0.462578 Zn\n0.268258 0.121375 0.482356 Zn\n0.268621 0.821768 0.987170 Zn\n0.972195 0.084968 0.662935 Zn\n0.249554 0.282123 0.204417 Zn\n0.454106 0.538641 0.185200 Zn\n0.141216 0.520857 0.125517 Zn\n0.410837 0.209715 0.022418 Zn\n0.227964 0.788640 0.290484 Zn\n0.948669 0.882003 0.899222 Zn\n0.801334 0.546373 0.740777 Zn\n0.239504 0.421295 0.435015 Zn\n0.399862 0.386083 0.974562 Zn\n0.176220 0.006392 0.106589 Zn\n0.955782 0.648889 0.233762 Zn\n0.029715 0.791055 0.037366 Zn\n0.913262 0.606199 0.947390 Zn\n0.972441 0.384364 0.227548 Zn\n0.232244 0.142757 0.871679 Zn\n0.789027 0.343357 0.499983 Zn\n0.953448 0.695645 0.688997 Zn\n0.847996 0.705234 0.815273 S\n0.750555 0.250559 0.647291 S\n0.294066 0.270758 0.778865 S\n0.982152 0.736637 0.384709 S\n0.899839 0.440938 0.861298 S\n0.260443 0.107137 0.221155 S\n0.368583 0.026470 0.852638 S\n0.660458 0.902529 0.406284 S\n0.852066 0.795840 0.576074 S\n0.876678 0.999433 0.775378 S\n0.514423 0.264580 0.166793 S\n0.173533 0.070517 0.342930 S\n0.210565 0.799670 0.810727 S\n0.627534 0.524683 0.766702 S\n0.645965 0.370616 0.389549 S\n0.112487 0.077127 0.961770 S\n0.907111 0.287044 0.373786 S\n0.535989 0.407952 0.108520 S\n0.088184 0.621529 -0.013591 S\n0.813963 0.512418 0.565601 S\n0.169308 0.274625 0.498343 S\n0.718681 0.217322 0.944416 S\n0.449153 0.410541 0.601220 S\n0.022346 0.224318 0.741329 S\n0.179189 0.550688 0.697470 S\n0.649905 0.532276 0.919765 S\n0.839893 0.046343 0.177096 S\n0.483309 0.119455 0.394245 S\n0.107896 0.864493 0.173963 S\n0.703900 0.127997 0.200359 S\n0.628051 0.650738 0.514389 S\n0.858652 0.684809 0.097063 S\n0.344917 0.031727 0.607521 S\n0.373035 0.543932 0.891834 S\n0.288018 0.607128 0.173577 S\n0.369934 0.881132 0.251791 S\n0.448758 0.575267 0.364952 S\n0.496883 0.704446 0.433675 S\n0.064534 0.521058 0.283127 S\n0.028520 0.544571 0.642904 S\n0.536141 0.784583 0.836103 S\n0.603864 0.031728 0.792985 S\n0.023431 0.028744 0.516544 S\n0.539262 0.679672 0.113908 S\n0.419898 0.037996 0.001493 S\n0.344348 0.376456 0.309644 S\n0.817948 0.401685 0.144137 S\n0.611580 0.964207 0.655837 S\n0.386908 0.671999 0.638359 S\n0.111039 0.342558 0.113866 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.411736356054916,
"density_atomic": 0.04215679376915367,
"volume": 2372.0969044180606,
"volume_molar": 14.285101454765828,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -330.34630042,
"energy_per_atom": -3.3034630041999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.19630042,
"band_gap": 0.712,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.043000Z",
"spacegroup": 1
},
{
"id": "mp-685698",
"created_at": "2022-09-04T14:43:47.988224Z",
"structure_string": "Re32 Pb32 O108\n1.0\n6.483094 -0.000015 3.743017\n2.161012 6.112275 3.743026\n0.011335 0.008101 59.868646\nRe Pb O\n32 32 108\ndirect\n0.500628 0.500606 0.999765 Re\n0.500253 0.500224 0.062459 Re\n0.499723 0.499725 0.125101 Re\n0.499487 0.000098 0.187616 Re\n0.500224 0.999876 0.062459 Re\n0.999855 0.500215 0.062461 Re\n0.499475 0.499468 0.187618 Re\n0.500231 -0.000098 0.312456 Re\n0.500076 0.500032 0.249982 Re\n0.000102 0.499476 0.187619 Re\n0.500211 0.500229 0.312457 Re\n0.500000 0.500027 0.374994 Re\n-0.000094 0.500225 0.312455 Re\n0.498448 0.498433 0.437989 Re\n0.498452 0.999208 0.437989 Re\n0.499776 -0.000540 0.562622 Re\n0.499380 0.499369 0.500231 Re\n0.999191 0.498452 0.437990 Re\n0.499785 0.499778 0.562622 Re\n0.500058 0.500057 0.624981 Re\n-0.000544 0.499778 0.562622 Re\n0.500097 0.500107 0.687494 Re\n0.499887 -0.000055 0.812532 Re\n0.499836 0.499872 0.750052 Re\n0.500098 -0.000143 0.687491 Re\n-0.000140 0.500095 0.687493 Re\n0.499893 0.499913 0.812530 Re\n0.500382 0.500353 0.874861 Re\n0.501436 0.000848 0.937036 Re\n-0.000042 0.499897 0.812531 Re\n0.501410 0.501419 0.937041 Re\n0.000843 0.501427 0.937040 Re\n0.001097 0.001115 0.000305 Pb\n0.001112 0.495363 0.000303 Pb\n0.495335 0.001123 0.000305 Pb\n0.001985 0.002015 0.125309 Pb\n0.001566 0.001634 0.061899 Pb\n0.493505 0.002024 0.125307 Pb\n0.002169 0.002124 0.250231 Pb\n0.493875 0.002139 0.250229 Pb\n0.002315 0.002336 0.186625 Pb\n0.002000 0.493515 0.125308 Pb\n0.006336 0.006355 0.435124 Pb\n0.494995 -0.000155 0.375662 Pb\n-0.002424 -0.002420 0.500546 Pb\n0.002121 0.002129 0.311699 Pb\n0.002148 0.493903 0.250228 Pb\n0.998539 0.998558 0.563047 Pb\n-0.002400 0.500460 0.500548 Pb\n-0.000164 -0.000146 0.375666 Pb\n0.500450 -0.002397 0.500549 Pb\n-0.000157 0.495001 0.375663 Pb\n0.499749 0.000115 0.624997 Pb\n0.000674 0.000558 0.812269 Pb\n0.000172 0.000148 0.624996 Pb\n0.500238 0.999755 0.750052 Pb\n0.001662 0.001668 0.874404 Pb\n0.000142 0.499765 0.624994 Pb\n0.999830 0.999485 0.750033 Pb\n0.501428 0.001662 0.874401 Pb\n0.999690 0.500351 0.750033 Pb\n0.999892 0.999734 0.687584 Pb\n0.001684 0.501462 0.874401 Pb\n0.001068 0.001072 0.937100 Pb\n0.183730 0.566787 0.022837 O\n0.183172 0.183176 0.070738 O\n0.566772 0.183732 0.022838 O\n0.183167 0.567751 0.070739 O\n0.566785 0.566776 0.022838 O\n0.567750 0.183173 0.070738 O\n0.433676 0.433675 0.102022 O\n0.433800 0.813893 0.054802 O\n0.183244 0.183242 0.195844 O\n0.181728 0.567839 0.147824 O\n0.813893 0.433782 0.054803 O\n0.433678 0.816477 0.102021 O\n0.183243 0.566775 0.195842 O\n0.567848 0.181730 0.147822 O\n0.816481 0.433670 0.102023 O\n0.813888 0.813897 0.054803 O\n0.566792 0.183223 0.195845 O\n0.567849 0.567834 0.147823 O\n0.435669 0.435685 0.226808 O\n0.182577 0.182569 0.320856 O\n0.434715 0.815883 0.179191 O\n0.183399 0.566570 0.272934 O\n0.815875 0.434736 0.179190 O\n0.875525 0.875529 0.109175 O\n0.435674 0.814178 0.226809 O\n0.566535 0.183415 0.272938 O\n0.182557 0.568021 0.320858 O\n0.814162 0.435700 0.226804 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O\n0.187644 0.187645 0.695203 O\n0.186306 0.563353 0.648374 O\n0.813181 0.436668 0.554622 O\n0.892764 0.892777 0.477711 O\n0.187643 0.563091 0.695203 O\n0.563353 0.186287 0.648372 O\n0.124835 0.124813 0.765691 O\n0.436861 0.812619 0.601711 O\n0.813182 0.813183 0.554622 O\n0.812606 0.436860 0.601709 O\n0.563086 0.187645 0.695203 O\n0.563359 0.563368 0.648372 O\n0.436730 0.436721 0.726619 O\n0.186342 0.186342 0.820502 O\n0.437019 0.812424 0.679767 O\n0.187309 0.563007 0.773335 O\n0.812412 0.437040 0.679767 O\n0.186347 0.563310 0.820499 O\n0.562988 0.187310 0.773335 O\n0.875901 0.875901 0.609034 O\n0.119968 0.119961 0.892511 O\n0.436714 0.813599 0.726619 O\n0.812421 0.812426 0.679766 O\n0.813598 0.436734 0.726619 O\n0.563298 0.186344 0.820501 O\n0.563002 0.563004 0.773335 O\n0.436708 0.814756 0.804222 O\n0.181153 0.181160 0.946700 O\n0.437220 0.437235 0.851351 O\n0.189937 0.559166 0.898968 O\n0.814732 0.436742 0.804224 O\n0.874944 0.874936 0.734398 O\n0.181150 0.564091 0.946701 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{
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{
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"nsites": 188,
"nelements": 5,
"elements": [
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],
"chemical_system": "B-Ca-H-O-Sr",
"density": 1.963793965895021,
"density_atomic": 0.07939614756827601,
"volume": 2367.8730739212638,
"volume_molar": 7.5849281664722,
"formula_full": "Sr4 Ca4 B56 H20 O104",
"formula_reduced": "SrCaB14H5O26",
"formula_anonymous": "ABC5D14E26",
"energy": -1360.12645578,
"energy_per_atom": -7.234715190319149,
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"band_gap": 0.0096999999999998,
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"updated_at": "2021-11-28T01:37:54.872000Z",
"spacegroup": 14
},
{
"id": "mp-1203042",
"created_at": "2022-09-04T14:48:23.300212Z",
"structure_string": "Cs6 Dy21 Te34 Cl1\n1.0\n10.933029 9.544267 0.000000\n-10.933029 9.544267 0.000000\n0.000000 9.040093 11.340534\nCs Dy Te Cl\n6 21 34 1\ndirect\n0.042270 0.805138 0.723338 Cs\n0.805138 0.042270 0.723338 Cs\n0.957730 0.194862 0.276662 Cs\n0.194862 0.957730 0.276662 Cs\n0.779814 0.779814 0.574777 Cs\n0.220186 0.220186 0.425223 Cs\n0.699597 0.300403 0.000000 Dy\n0.300403 0.699597 0.000000 Dy\n0.046226 0.457988 0.750674 Dy\n0.457988 0.046226 0.750674 Dy\n0.953774 0.542012 0.249326 Dy\n0.542012 0.953774 0.249326 Dy\n0.830022 0.427630 0.622574 Dy\n0.427630 0.830022 0.622574 Dy\n0.169978 0.572370 0.377426 Dy\n0.572370 0.169978 0.377426 Dy\n0.901740 0.098260 0.000000 Dy\n0.098260 0.901740 0.000000 Dy\n0.266252 0.470436 0.889256 Dy\n0.470436 0.266252 0.889256 Dy\n0.733748 0.529564 0.110744 Dy\n0.529564 0.733748 0.110744 Dy\n0.399032 0.600968 0.500000 Dy\n0.600968 0.399032 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.244696 0.244696 0.747626 Dy\n0.755304 0.755304 0.252374 Dy\n0.687721 0.687721 0.933639 Te\n0.312279 0.312279 0.066361 Te\n0.059006 0.059006 0.813044 Te\n0.940994 0.940994 0.186956 Te\n0.088041 0.288512 0.932592 Te\n0.288512 0.088041 0.932592 Te\n0.911959 0.711488 0.067408 Te\n0.711488 0.911959 0.067408 Te\n0.886161 0.485911 0.937332 Te\n0.485911 0.886161 0.937332 Te\n0.113839 0.514089 0.062668 Te\n0.514089 0.113839 0.062668 Te\n0.865721 0.265650 0.812068 Te\n0.265650 0.865721 0.812068 Te\n0.134279 0.734350 0.187932 Te\n0.734350 0.134279 0.187932 Te\n0.241432 0.637068 0.689198 Te\n0.637068 0.241432 0.689198 Te\n0.758568 0.362932 0.310802 Te\n0.362932 0.758568 0.310802 Te\n0.013050 0.616230 0.558619 Te\n0.616230 0.013050 0.558619 Te\n0.986950 0.383770 0.441381 Te\n0.383770 0.986950 0.441381 Te\n0.212094 0.415895 0.562500 Te\n0.415895 0.212094 0.562500 Te\n0.787906 0.584105 0.437500 Te\n0.584105 0.787906 0.437500 Te\n0.658143 0.459401 0.812584 Te\n0.459401 0.658143 0.812584 Te\n0.341857 0.540599 0.187416 Te\n0.540599 0.341857 0.187416 Te\n0.431672 0.431672 0.690907 Te\n0.568328 0.568328 0.309093 Te\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 62,
"nelements": 4,
"elements": [
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"Dy",
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"Cl"
],
"chemical_system": "Cl-Cs-Dy-Te",
"density": 6.022563444807182,
"density_atomic": 0.026196610843063746,
"volume": 2366.7183656475227,
"volume_molar": 22.98824376968795,
"formula_full": "Cs6 Dy21 Te34 Cl1",
"formula_reduced": "Cs6Dy21Te34Cl",
"formula_anonymous": "AB6C21D34",
"energy": -314.99205932,
"energy_per_atom": -5.080517085806452,
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"band_gap": 0.8855999999999997,
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"is_magnetic": false,
"total_magnetization": 0.0004494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:16.212000Z",
"spacegroup": 12
}
]
}