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{
"id": "mp-720199",
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"structure_string": "Ca6 La14 Mg7 Ti13 O60\n1.0\n-5.567326 0.000000 0.000000\n-0.037719 -5.601892 0.000000\n-0.016233 -0.088437 39.415832\nCa La Mg Ti O\n6 14 7 13 60\ndirect\n0.513710 0.540962 0.351525 Ca\n0.512464 0.539171 0.152139 Ca\n0.008182 0.964345 0.249493 Ca\n0.008235 0.965980 0.449168 Ca\n0.999622 0.969440 0.653876 Ca\n0.999564 0.968777 0.847283 Ca\n0.994337 0.026402 0.153496 La\n0.994133 0.026147 0.352634 La\n0.996344 0.024952 0.554585 La\n0.000271 0.024980 0.750645 La\n0.003190 0.022013 0.944875 La\n0.508405 0.530206 0.553127 La\n0.515651 0.544002 0.750592 La\n0.511111 0.541084 0.946962 La\n0.491222 0.470754 0.047648 La\n0.490242 0.463688 0.248092 La\n0.490188 0.447600 0.652839 La\n0.491363 0.465227 0.447235 La\n0.488784 0.446442 0.848261 La\n0.003697 0.974413 0.046750 La\n0.499786 0.000585 0.998690 Mg\n0.499757 0.998262 0.200675 Mg\n0.501507 0.997922 0.602337 Mg\n0.500355 0.998802 0.898138 Mg\n0.499424 0.998697 0.399857 Mg\n0.500300 0.996864 0.699706 Mg\n0.500063 0.997261 0.800784 Mg\n0.000468 0.497755 0.997445 Ti\n0.996517 0.497896 0.101035 Ti\n0.999179 0.501028 0.200598 Ti\n0.996180 0.495892 0.300801 Ti\n0.999065 0.501141 0.400257 Ti\n0.996988 0.498820 0.500263 Ti\n0.999887 0.502615 0.603575 Ti\n0.004145 0.500958 0.701188 Ti\n0.003336 0.500619 0.800100 Ti\n0.998998 0.501024 0.896160 Ti\n0.496912 0.996672 0.101061 Ti\n0.495847 0.992918 0.299619 Ti\n0.496984 0.997125 0.498847 Ti\n0.920147 0.512453 0.052943 O\n0.917568 0.521065 0.250792 O\n0.918629 0.521207 0.449915 O\n0.915899 0.525749 0.648898 O\n0.912499 0.526179 0.850315 O\n0.784486 0.771124 0.191266 O\n0.773557 0.773623 0.109299 O\n0.774931 0.773401 0.308891 O\n0.785104 0.771280 0.390682 O\n0.772438 0.769621 0.508137 O\n0.778442 0.764296 0.588688 O\n0.788525 0.770164 0.709089 O\n0.787540 0.769599 0.790644 O\n0.781703 0.764868 0.910441 O\n0.787517 0.769665 0.993735 O\n0.727324 0.290847 0.190994 O\n0.727758 0.282694 0.309302 O\n0.727825 0.291368 0.390514 O\n0.729712 0.275841 0.109810 O\n0.734819 0.285706 0.588800 O\n0.730229 0.278359 0.508000 O\n0.731870 0.290100 0.910761 O\n0.729581 0.293457 0.709311 O\n0.730632 0.292425 0.790584 O\n0.735555 0.283212 0.994104 O\n0.577728 0.015194 0.052958 O\n0.589443 0.024074 0.252613 O\n0.598215 0.042460 0.650137 O\n0.589862 0.022615 0.451845 O\n0.598143 0.041817 0.849946 O\n0.417794 0.979850 0.347300 O\n0.418215 0.979165 0.148187 O\n0.425002 0.988509 0.546927 O\n0.407847 0.972076 0.750106 O\n0.411048 0.971902 0.949794 O\n0.264803 0.717448 0.010933 O\n0.268704 0.729592 0.091313 O\n0.267515 0.713424 0.208459 O\n0.273655 0.726070 0.290269 O\n0.267708 0.712608 0.605435 O\n0.267932 0.713721 0.407921 O\n0.274881 0.725556 0.490254 O\n0.266868 0.708877 0.892621 O\n0.268648 0.708909 0.690422 O\n0.268264 0.708476 0.809221 O\n0.222339 0.235179 0.010967 O\n0.225321 0.226470 0.091738 O\n0.206281 0.224648 0.209186 O\n0.221213 0.224773 0.290460 O\n0.206711 0.225089 0.408676 O\n0.228211 0.227484 0.490023 O\n0.207245 0.227447 0.606300 O\n0.207221 0.228950 0.690218 O\n0.203735 0.226161 0.891939 O\n0.206463 0.228189 0.809492 O\n0.089955 0.483926 0.149345 O\n0.090872 0.484178 0.348354 O\n0.080262 0.487986 0.546759 O\n0.088013 0.484250 0.749873 O\n0.083182 0.485183 0.951739 O\n",
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"elements": [
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],
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"volume": 1229.283585276989,
"volume_molar": 7.402918784495491,
"formula_full": "Ca6 La14 Mg7 Ti13 O60",
"formula_reduced": "Ca6La14Mg7Ti13O60",
"formula_anonymous": "A6B7C13D14E60",
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"spacegroup": 1
},
{
"id": "mp-1048003",
"created_at": "2022-09-04T14:40:13.128295Z",
"structure_string": "Zn1 Bi4 O8\n1.0\n3.456600 0.000000 0.000000\n-1.368218 7.725390 0.000000\n-1.280487 -1.866455 8.852532\nZn Bi O\n1 4 8\ndirect\n0.417663 0.202860 0.796601 Zn\n0.233071 0.587506 0.856570 Bi\n0.345059 0.231046 0.442651 Bi\n0.690954 0.837904 0.558213 Bi\n0.842372 0.471681 0.184444 Bi\n0.441657 0.546376 0.342141 O\n0.240148 0.778790 0.724238 O\n0.778793 0.218881 0.287238 O\n0.613588 0.446433 0.723033 O\n0.835877 0.686862 0.002391 O\n0.840136 0.108317 0.701274 O\n0.250750 0.364881 0.970159 O\n0.198061 0.949109 0.434939 O\n",
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"elements": [
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],
"chemical_system": "Bi-O-Zn",
"density": 7.230443085820332,
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"volume": 236.39432367724336,
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"formula_full": "Zn1 Bi4 O8",
"formula_reduced": "Zn(BiO2)4",
"formula_anonymous": "AB4C8",
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{
"id": "mp-754277",
"created_at": "2022-09-04T14:40:13.221480Z",
"structure_string": "Li3 Fe4 O3 F9\n1.0\n5.989861 0.000000 0.000000\n-0.922833 5.927548 0.000000\n-0.954287 -1.071647 5.857932\nLi Fe O F\n3 4 3 9\ndirect\n0.694560 0.416280 0.875323 Li\n0.858799 0.655405 0.384444 Li\n0.610470 0.151027 0.337711 Li\n0.391860 0.835772 0.644071 Fe\n0.144922 0.359473 0.619933 Fe\n0.320176 0.576582 0.124648 Fe\n0.999054 0.011610 0.004917 Fe\n0.197423 0.584519 0.406926 O\n0.405020 0.597215 0.820539 O\n0.106075 0.309196 0.938403 O\n0.065543 0.884504 0.698721 F\n0.304728 0.930514 0.122111 F\n0.607527 0.827014 0.425559 F\n0.380274 0.159576 0.568362 F\n0.885346 0.705459 0.055911 F\n0.572536 0.406140 0.181551 F\n0.825210 0.419651 0.597754 F\n0.674796 0.040338 0.875136 F\n0.955682 0.129726 0.317981 F\n",
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"elements": [
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"formula_full": "Li3 Fe4 O3 F9",
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{
"id": "mp-1234516",
"created_at": "2022-09-04T14:40:13.135166Z",
"structure_string": "Mg1 Ag6 Mo10 O33\n1.0\n7.596105 0.283366 -1.777458\n1.919052 -8.022458 -1.101187\n0.103900 -0.004056 -11.531701\nMg Ag Mo O\n1 6 10 33\ndirect\n0.738692 0.412502 0.291128 Mg\n0.353350 0.997822 0.250575 Ag\n0.647363 0.955418 0.765078 Ag\n0.254755 0.353012 0.237807 Ag\n0.891233 0.487162 0.791306 Ag\n0.402965 0.630773 0.250181 Ag\n0.533273 0.438439 0.767948 Ag\n0.450975 0.242012 0.494638 Mo\n0.551371 0.783589 0.508345 Mo\n0.945962 0.238778 0.495662 Mo\n0.047805 0.785590 0.512588 Mo\n0.827365 0.774381 0.051923 Mo\n0.157348 0.203005 0.959275 Mo\n0.727085 0.175482 0.011186 Mo\n0.252931 0.801618 0.976028 Mo\n0.819749 0.008003 0.319435 Mo\n0.188821 0.014413 0.674486 Mo\n0.980342 0.986520 0.996947 O\n0.073641 0.664661 0.021420 O\n0.907788 0.318832 0.968910 O\n0.645768 0.973875 0.089736 O\n0.333030 0.008553 0.910253 O\n0.541036 0.317040 0.077622 O\n0.435479 0.656120 0.913251 O\n0.733588 0.613050 0.150270 O\n0.273181 0.357039 0.887834 O\n0.180016 0.191308 0.108853 O\n0.780901 0.758057 0.912252 O\n0.291013 0.815002 0.120635 O\n0.687279 0.171995 0.866361 O\n0.801726 0.180705 0.206690 O\n0.194513 0.842258 0.782642 O\n0.885300 0.840841 0.229585 O\n0.113791 0.179461 0.767244 O\n0.475902 0.371346 0.340385 O\n0.577086 0.680543 0.647557 O\n0.970385 0.373095 0.347999 O\n0.003057 0.657472 0.644258 O\n0.035487 0.006056 0.374689 O\n0.976232 0.007119 0.615791 O\n0.559304 0.994937 0.378296 O\n0.447155 0.017672 0.619446 O\n0.145446 0.650607 0.401956 O\n0.839594 0.360212 0.614460 O\n0.611556 0.628454 0.408235 O\n0.415111 0.376915 0.603439 O\n0.724614 0.196273 0.447578 O\n0.289150 0.829175 0.527437 O\n0.799551 0.840932 0.485061 O\n0.205935 0.191254 0.508656 O\n",
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{
"id": "mp-719958",
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"structure_string": "Cs2 Er4 Cu6 Se10\n1.0\n2.059165 -7.350637 0.000000\n2.059165 7.350637 0.000000\n0.000000 0.000000 17.273013\nCs Er Cu Se\n2 4 6 10\ndirect\n0.058887 0.943076 0.249207 Cs\n0.928556 0.056144 0.749785 Cs\n0.799566 0.185747 0.410639 Er\n0.194774 0.812314 0.594168 Er\n0.202354 0.814606 0.907144 Er\n0.812445 0.199813 0.093562 Er\n0.343114 0.651316 0.247474 Cu\n0.659350 0.350253 0.752513 Cu\n0.578235 0.418479 0.033332 Cu\n0.416679 0.578918 0.964585 Cu\n0.419739 0.581710 0.535374 Cu\n0.593749 0.422428 0.467441 Cu\n0.761418 0.242391 0.252008 Se\n0.228116 0.749381 0.749893 Se\n0.561775 0.436750 0.609279 Se\n0.433099 0.553033 0.389485 Se\n0.440325 0.567977 0.114373 Se\n0.550638 0.430351 0.887012 Se\n0.818523 0.157413 0.569846 Se\n0.163620 0.830283 0.431403 Se\n0.167388 0.822508 0.070139 Se\n0.824466 0.160169 0.931620 Se\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n9.790209 0.000000 0.000000\n4.890186 8.510822 0.000000\n0.012250 0.007043 13.945595\nLi V P O\n12 6 16 58\ndirect\n0.096262 0.678202 0.942585 Li\n0.232879 0.663266 0.436727 Li\n0.097670 0.234677 0.438362 Li\n0.224337 0.084492 0.942430 Li\n0.682428 0.224834 0.942242 Li\n0.332971 0.901940 0.557700 Li\n0.662726 0.096184 0.438382 Li\n0.780195 0.908771 0.062369 Li\n0.660323 0.668554 0.888588 Li\n0.761395 0.333341 0.559087 Li\n0.917851 0.307009 0.062201 Li\n0.985518 0.969031 0.500282 Li\n0.435001 0.000576 0.748096 V\n0.565813 0.000687 0.248087 V\n0.431132 0.569271 0.248300 V\n0.562981 0.438291 0.751336 V\n0.999680 0.569752 0.745247 V\n0.001964 0.437784 0.253090 V\n0.090018 0.680298 0.157357 P\n0.229237 0.686939 0.656380 P\n0.084487 0.228586 0.656861 P\n0.333653 0.332587 0.870505 P\n0.333256 0.334158 0.372380 P\n0.229434 0.088300 0.157750 P\n0.314349 0.912935 0.341777 P\n0.678732 0.232841 0.158054 P\n0.314926 0.773985 0.842248 P\n0.687743 0.087855 0.655552 P\n0.771648 0.908603 0.840146 P\n0.663750 0.668049 0.629556 P\n0.670744 0.665329 0.129377 P\n0.914447 0.779599 0.340255 P\n0.770573 0.314284 0.342291 P\n0.910911 0.321779 0.842831 P\n0.005515 0.796497 0.421670 O\n0.087033 0.660266 0.663364 O\n0.231643 0.755708 0.925583 O\n0.255443 0.661890 0.163559 O\n0.103287 0.519963 0.176516 O\n0.185884 0.481207 0.830731 O\n0.090595 0.380071 0.671719 O\n0.006102 0.244957 0.931454 O\n0.083351 0.253440 0.160950 O\n0.320656 0.490686 0.334082 O\n0.383340 0.530304 0.667800 O\n0.186362 0.323842 0.330182 O\n0.339991 0.321926 0.977183 O\n0.324997 0.334413 0.479845 O\n0.338463 0.181230 0.825097 O\n0.517858 0.376262 0.177094 O\n0.484501 0.334109 0.829334 O\n0.249490 0.082049 0.656865 O\n0.207959 0.998575 0.248835 O\n0.222839 0.001435 0.430706 O\n0.244617 0.002718 0.066975 O\n0.381072 0.098093 0.179888 O\n0.487643 0.190576 0.333095 O\n0.332717 0.921619 0.844438 O\n0.531369 0.087679 0.666937 O\n0.664608 0.254850 0.662525 O\n0.214003 0.797870 0.744691 O\n0.221699 0.774649 0.565155 O\n0.771169 0.223266 0.430703 O\n0.334922 0.746298 0.341789 O\n0.471391 0.908769 0.329856 O\n0.667156 0.081253 0.156766 O\n0.506648 0.814695 0.670027 O\n0.628046 0.883855 0.824393 O\n0.753032 0.001872 0.929856 O\n0.776870 0.010413 0.565306 O\n0.792981 0.996091 0.749037 O\n0.742706 0.919661 0.339144 O\n0.524951 0.668209 0.173826 O\n0.483949 0.629956 0.826526 O\n0.677475 0.814648 0.164015 O\n0.679331 0.655546 0.021565 O\n0.655247 0.663428 0.522865 O\n0.804627 0.677361 0.673156 O\n0.614802 0.469403 0.329252 O\n0.671122 0.514128 0.673195 O\n0.922340 0.745133 0.842237 O\n0.989129 0.800444 0.241805 O\n0.003050 0.752924 0.065744 O\n0.915875 0.622836 0.334716 O\n0.821507 0.515521 0.171759 O\n0.890908 0.486823 0.824680 O\n0.746184 0.338066 0.846979 O\n0.758470 0.245319 0.068378 O\n0.792520 0.208760 0.248493 O\n0.913595 0.338947 0.343968 O\n0.994014 0.230725 0.568281 O\n0.996153 0.211714 0.751038 O\n",
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"elements": [
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"formula_full": "Li12 V6 P16 O58",
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},
{
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}