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{
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"results": [
{
"id": "mp-756433",
"created_at": "2022-09-04T14:48:27.189345Z",
"structure_string": "Li5 Co7 O12\n1.0\n4.363894 2.506427 0.000000\n-4.363894 2.506427 0.000000\n0.000000 1.606831 9.518007\nLi Co O\n5 7 12\ndirect\n0.834149 0.663707 0.759082 Li\n0.668712 0.836415 0.241184 Li\n0.336293 0.165851 0.240918 Li\n0.163585 0.331288 0.758816 Li\n0.082490 0.917510 0.000000 Li\n0.919011 0.080989 0.500000 Co\n0.004039 0.514180 0.241042 Co\n0.749319 0.250681 0.000000 Co\n0.485820 0.995961 0.758958 Co\n0.580403 0.419597 0.500000 Co\n0.417169 0.582831 0.000000 Co\n0.251331 0.748669 0.500000 Co\n0.048648 0.241629 0.116073 O\n0.758371 0.951352 0.883927 O\n0.884906 0.390358 0.614133 O\n0.609642 0.115094 0.385867 O\n0.699927 0.523194 0.116155 O\n0.476806 0.300073 0.883845 O\n0.521850 0.705253 0.616448 O\n0.294747 0.478150 0.383552 O\n0.398014 0.873344 0.112499 O\n0.126656 0.601986 0.887501 O\n0.219947 0.031835 0.618300 O\n0.968165 0.780053 0.381700 O\n",
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{
"id": "mp-642320",
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"structure_string": "Bi32 P10 Pb3 O76\n1.0\n5.793780 9.903298 0.000000\n-5.793780 9.903298 0.000000\n0.000000 3.230745 16.228450\nBi P Pb O\n32 10 3 76\ndirect\n0.078587 0.706567 0.187312 Bi\n0.515086 0.234939 0.593221 Bi\n0.948861 0.290979 0.805716 Bi\n0.709021 0.051139 0.194284 Bi\n0.940585 0.616047 0.793549 Bi\n0.331368 0.349494 0.972713 Bi\n0.650506 0.668632 0.027287 Bi\n0.835858 0.922722 0.607239 Bi\n0.631113 0.274551 0.788837 Bi\n0.761971 0.818496 0.402364 Bi\n0.104700 0.495096 0.390088 Bi\n0.725449 0.368887 0.211163 Bi\n0.529703 0.576875 0.597012 Bi\n0.504904 0.895300 0.609912 Bi\n0.423125 0.470297 0.402988 Bi\n0.425978 0.696615 0.202847 Bi\n0.077278 0.164142 0.392761 Bi\n0.765061 0.484914 0.406779 Bi\n0.327648 0.996742 0.002613 Bi\n0.303385 0.574022 0.797153 Bi\n0.858654 0.604209 0.600848 Bi\n0.987788 0.012212 0.000000 Bi\n0.599236 0.931889 0.826609 Bi\n0.003258 0.672352 0.997387 Bi\n0.395791 0.141346 0.399152 Bi\n0.068111 0.400764 0.173391 Bi\n0.652509 0.347491 0.000000 Bi\n0.188700 0.897742 0.601778 Bi\n0.102258 0.811300 0.398222 Bi\n0.293433 0.921413 0.812688 Bi\n0.383953 0.059415 0.206451 Bi\n0.181504 0.238029 0.597636 Bi\n0.739219 0.695480 0.208525 P\n0.860837 0.250385 0.599936 P\n0.749615 0.139163 0.400064 P\n0.304520 0.260781 0.791475 P\n0.181754 0.577012 0.584880 P\n0.975175 0.346600 0.992687 P\n0.653400 0.024825 0.007313 P\n0.422988 0.818246 0.415120 P\n0.979049 0.919810 0.800440 P\n0.080190 0.020951 0.199560 P\n0.391900 0.380692 0.191473 Pb\n0.619308 0.608100 0.808527 Pb\n0.331937 0.668063 0.000000 Pb\n0.625242 0.030500 0.641465 O\n0.116015 0.505819 0.259074 O\n0.300770 0.926940 0.467943 O\n0.973288 0.031242 0.147004 O\n0.597084 0.542458 0.129889 O\n0.548104 0.745861 0.466601 O\n0.114890 0.875213 0.741211 O\n0.853773 0.006230 0.445155 O\n0.832275 0.748503 0.687941 O\n0.208897 0.005537 0.142618 O\n0.607555 0.779977 0.166002 O\n0.603360 0.938343 0.974527 O\n0.073060 0.699230 0.532057 O\n0.025182 0.142870 0.249494 O\n0.251541 0.027314 0.638001 O\n0.842618 0.607747 0.436547 O\n0.813114 0.393307 0.549222 O\n0.855292 0.623223 0.141015 O\n0.994463 0.791103 0.857382 O\n0.066768 0.797315 0.042077 O\n0.208981 0.565565 0.934636 O\n0.381536 0.714768 0.398128 O\n0.392253 0.157381 0.563453 O\n0.124787 0.885110 0.258789 O\n0.457052 0.891484 0.336078 O\n0.290898 0.639728 0.160498 O\n0.924991 0.429667 0.908059 O\n0.526730 0.477870 0.721025 O\n0.440677 0.409357 0.040071 O\n0.510167 0.116539 0.258408 O\n0.849445 0.371645 0.055583 O\n0.184172 0.232435 0.463045 O\n0.494181 0.883985 0.740926 O\n0.739552 0.109558 0.313667 O\n0.123103 0.550370 0.102940 O\n0.789532 0.252316 0.388729 O\n0.231449 0.611146 0.359089 O\n0.802773 0.941518 0.024846 O\n0.281147 0.264076 0.140909 O\n0.628355 0.150555 0.944417 O\n0.343237 0.349596 0.366626 O\n0.883461 0.489833 0.741592 O\n0.658248 0.260938 0.149873 O\n0.220023 0.392445 0.833998 O\n0.108516 0.542948 0.663922 O\n0.251497 0.167725 0.312059 O\n0.968758 0.026712 0.852996 O\n0.285232 0.618464 0.601872 O\n0.376777 0.144708 0.858985 O\n0.522130 0.473270 0.278975 O\n0.254139 0.451896 0.533399 O\n0.061657 0.396640 0.025473 O\n0.388854 0.768551 0.640911 O\n0.993770 0.146227 0.554845 O\n0.767565 0.815828 0.536955 O\n0.723783 0.582602 0.271797 O\n0.747684 0.210468 0.611271 O\n0.570333 0.075009 0.091941 O\n0.650404 0.656763 0.633374 O\n0.434435 0.791019 0.065364 O\n0.969500 0.374758 0.358535 O\n0.216623 0.227512 0.747295 O\n0.590643 0.559323 0.959929 O\n0.890442 0.260448 0.686333 O\n0.360272 0.709102 0.839502 O\n0.449630 0.876897 0.897060 O\n0.202685 0.933232 0.957923 O\n0.457542 0.402916 0.870111 O\n0.058482 0.197227 0.975154 O\n0.735924 0.718853 0.859091 O\n0.857130 0.974818 0.750506 O\n0.417398 0.276217 0.728203 O\n0.972686 0.748459 0.361999 O\n0.772488 0.783377 0.252705 O\n0.606693 0.186886 0.450778 O\n0.739062 0.341752 0.850127 O\n",
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"elements": [
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"P",
"Pb",
"O"
],
"chemical_system": "Bi-O-P-Pb",
"density": 7.877534058806193,
"density_atomic": 0.06497353336135411,
"volume": 1862.296749771194,
"volume_molar": 9.268605920671593,
"formula_full": "Bi32 P10 Pb3 O76",
"formula_reduced": "Bi32P10Pb3O76",
"formula_anonymous": "A3B10C32D76",
"energy": -810.74808051,
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"updated_at": "2021-11-28T01:39:08.155000Z",
"spacegroup": 5
},
{
"id": "mp-1217862",
"created_at": "2022-09-04T14:48:26.998675Z",
"structure_string": "Sr1 U3 Se2 O18\n1.0\n3.569241 8.647715 0.000000\n-3.569241 8.647715 0.000000\n0.000000 1.087551 6.861335\nSr U Se O\n1 3 2 18\ndirect\n0.334347 0.665653 0.500000 Sr\n0.392491 0.393706 0.046769 U\n0.606294 0.607509 0.953231 U\n0.002127 0.997873 0.000000 U\n0.204691 0.207259 0.885320 Se\n0.792741 0.795309 0.114680 Se\n0.317437 0.682563 0.000000 O\n0.685196 0.314804 0.000000 O\n0.021681 0.977472 0.264844 O\n0.022528 0.978319 0.735156 O\n0.383592 0.407927 0.778179 O\n0.592073 0.616408 0.221821 O\n0.383980 0.408684 0.313179 O\n0.591316 0.616020 0.686821 O\n0.961428 0.309814 0.939296 O\n0.306612 0.964226 0.942406 O\n0.035774 0.693388 0.057594 O\n0.690186 0.038572 0.060704 O\n0.252533 0.257077 0.081535 O\n0.742923 0.747467 0.918465 O\n0.962602 0.650641 0.534982 O\n0.349359 0.037398 0.465018 O\n0.497258 0.001069 0.503252 O\n0.998931 0.502742 0.496748 O\n",
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"elements": [
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],
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"density": 4.891185656379754,
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"formula_full": "Sr1 U3 Se2 O18",
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"updated_at": "2021-11-28T01:39:35.012000Z",
"spacegroup": 5
},
{
"id": "mp-1179062",
"created_at": "2022-09-04T14:48:26.573513Z",
"structure_string": "Ta2 O5\n1.0\n3.326762 4.418622 0.000000\n-3.326762 4.418622 0.000000\n0.000000 4.175894 4.459733\nTa O\n2 5\ndirect\n0.205266 0.231933 0.880912 Ta\n0.768067 0.794734 0.119088 Ta\n0.456860 0.543140 0.500000 O\n0.983163 0.497217 0.031111 O\n0.892786 0.917923 0.273689 O\n0.082077 0.107214 0.726311 O\n0.502783 0.016837 0.968889 O\n",
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"formula_full": "Ta2 O5",
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{
"id": "mp-1046612",
"created_at": "2022-09-04T14:48:26.223666Z",
"structure_string": "Mg8 Fe10 Te6 O36\n1.0\n4.578498 7.436058 0.000000\n-4.578498 7.436058 0.000000\n0.000000 1.130158 10.618588\nMg Fe Te O\n8 10 6 36\ndirect\n0.127926 0.452045 0.673962 Mg\n0.521470 0.439413 0.775656 Mg\n0.547955 0.872074 0.326038 Mg\n0.560587 0.478530 0.224344 Mg\n0.824521 0.120984 0.284765 Mg\n0.850267 0.750464 0.167566 Mg\n0.249536 0.149733 0.832434 Mg\n0.879016 0.175479 0.715235 Mg\n0.210430 0.507672 0.020908 Fe\n0.904231 0.812355 0.524041 Fe\n0.669132 0.668567 0.699634 Fe\n0.052576 0.274322 0.193731 Fe\n0.331433 0.330868 0.300366 Fe\n0.020194 0.979806 0.000000 Fe\n0.378133 0.621867 0.500000 Fe\n0.725678 0.947424 0.806269 Fe\n0.187645 0.095769 0.475959 Fe\n0.492328 0.789570 0.979092 Fe\n0.536091 0.137366 0.048849 Te\n0.192837 0.804599 0.744011 Te\n0.195401 0.807163 0.255989 Te\n0.533573 0.148412 0.560601 Te\n0.851588 0.466427 0.439399 Te\n0.862634 0.463909 0.951151 Te\n0.599610 0.911749 0.138468 O\n0.294711 0.535717 0.176012 O\n0.441809 0.410732 0.407377 O\n0.278203 0.871003 0.565467 O\n0.464283 0.705289 0.823988 O\n0.128997 0.721797 0.434533 O\n0.639141 0.196253 0.709926 O\n0.945312 0.919035 0.171797 O\n0.446161 0.709901 0.324688 O\n0.905266 0.596330 0.601589 O\n0.439374 0.355225 0.943670 O\n0.472348 0.028817 0.916794 O\n0.106491 0.047978 0.317324 O\n0.300421 0.237127 0.129376 O\n0.644775 0.560626 0.056330 O\n0.773802 0.405587 0.810596 O\n0.974927 0.233425 0.557159 O\n0.762873 0.699579 0.870624 O\n0.589268 0.558191 0.592623 O\n0.766575 0.025073 0.442841 O\n0.294153 0.206502 0.652714 O\n0.093621 0.371402 0.362162 O\n0.080965 0.054688 0.828203 O\n0.594413 0.226198 0.189404 O\n0.944544 0.240096 0.040954 O\n0.264701 0.891692 0.063373 O\n0.971183 0.527652 0.083206 O\n0.803747 0.360859 0.290074 O\n0.952022 0.893509 0.682676 O\n0.628598 0.906379 0.637838 O\n0.793498 0.705847 0.347286 O\n0.108308 0.735299 0.936627 O\n0.290099 0.553839 0.675312 O\n0.403670 0.094734 0.398411 O\n0.759904 0.055456 0.959046 O\n0.088251 0.400390 0.861532 O\n",
"nsites": 60,
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"elements": [
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],
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"density": 4.810169123916682,
"density_atomic": 0.08298291505465359,
"volume": 723.0403988638293,
"volume_molar": 7.25708509520754,
"formula_full": "Mg8 Fe10 Te6 O36",
"formula_reduced": "Mg4Fe5(TeO6)3",
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"energy": -409.89218975000006,
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"updated_at": "2021-11-28T01:39:13.601000Z",
"spacegroup": 5
},
{
"id": "mp-1639812",
"created_at": "2022-09-04T14:48:25.922880Z",
"structure_string": "Li12 V10 Sb2 O24\n1.0\n-2.750232 -4.668609 -0.482567\n-7.817304 4.604738 0.000863\n4.818038 -0.760519 -10.266054\nLi V Sb O\n12 10 2 24\ndirect\n0.115569 0.357240 0.712443 Li\n0.615380 0.857508 0.712738 Li\n0.384667 0.144679 0.287544 Li\n0.884766 0.644644 0.287204 Li\n0.889130 0.310860 0.285894 Li\n0.389473 0.809841 0.286169 Li\n0.611080 0.525113 0.714111 Li\n0.110685 0.023733 0.713806 Li\n0.885885 0.973870 0.284744 Li\n0.386357 0.473894 0.284222 Li\n0.614313 0.189143 0.715212 Li\n0.113782 0.689744 0.715770 Li\n0.750175 0.248082 0.500047 V\n0.499762 0.158954 0.000021 V\n0.999887 0.658984 0.000113 V\n0.499885 0.840707 0.000321 V\n0.999751 0.340450 0.999741 V\n0.250077 0.746811 0.499969 V\n0.750146 0.588626 0.499986 V\n0.250086 0.088768 0.499974 V\n0.750081 0.914147 0.499972 V\n0.250193 0.414042 0.499979 V\n0.499693 0.499857 0.999625 Sb\n0.999919 0.000212 0.000306 Sb\n0.064444 0.186548 0.385734 O\n0.563090 0.686471 0.386427 O\n0.435772 0.300875 0.614252 O\n0.937100 0.800101 0.613529 O\n0.167927 0.448009 0.893351 O\n0.668297 0.947944 0.893858 O\n0.331696 0.054654 0.106695 O\n0.831286 0.554211 0.106184 O\n0.856045 0.213162 0.102249 O\n0.356060 0.712758 0.102248 O\n0.643665 0.610906 0.897794 O\n0.143618 0.110469 0.897778 O\n0.857337 0.887813 0.101693 O\n0.357007 0.387700 0.101123 O\n0.642308 0.286071 0.898321 O\n0.142646 0.786474 0.898927 O\n0.920998 0.470978 0.608746 O\n0.421871 0.970396 0.607738 O\n0.579355 0.362185 0.391257 O\n0.078336 0.862590 0.392197 O\n0.932008 0.146179 0.612112 O\n0.433657 0.645810 0.612038 O\n0.568198 0.034079 0.387919 O\n0.066582 0.533705 0.387921 O\n",
"nsites": 48,
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"elements": [
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"density_atomic": 0.09365935573668,
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"volume_molar": 6.429833637689158,
"formula_full": "Li12 V10 Sb2 O24",
"formula_reduced": "Li6V5SbO12",
"formula_anonymous": "AB5C6D12",
"energy": -351.98597182,
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"updated_at": "2021-11-28T01:39:12.350000Z",
"spacegroup": 5
},
{
"id": "mp-726032",
"created_at": "2022-09-04T14:48:25.975989Z",
"structure_string": "K2 Se6\n1.0\n3.245083 5.653658 0.000000\n-3.245083 5.653658 0.000000\n0.000000 1.432389 7.992731\nK Se\n2 6\ndirect\n0.910418 0.875745 0.732318 K\n0.124255 0.089582 0.267682 K\n0.981417 0.643976 0.362208 Se\n0.356024 0.018583 0.637792 Se\n0.713060 0.855670 0.156412 Se\n0.144330 0.286940 0.843588 Se\n0.722509 0.414013 0.865942 Se\n0.585987 0.277491 0.134058 Se\n",
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"elements": [
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],
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