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{
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{
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{
"id": "mp-1223524",
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"structure_string": "La4 Ce2 Si4 S16 I2\n1.0\n3.994343 8.066411 0.000000\n-3.994343 8.066411 0.000000\n0.000000 1.553448 10.915347\nLa Ce Si S I\n4 2 4 16 2\ndirect\n0.924078 0.679451 0.680667 La\n0.320549 0.075922 0.819333 La\n0.075922 0.320549 0.319333 La\n0.679451 0.924078 0.180667 La\n0.593662 0.406338 0.750000 Ce\n0.406338 0.593662 0.250000 Ce\n0.303364 0.378363 0.029375 Si\n0.621637 0.696636 0.470625 Si\n0.696636 0.621637 0.970625 Si\n0.378363 0.303364 0.529375 Si\n0.113895 0.600071 0.146213 S\n0.399929 0.886105 0.353787 S\n0.886105 0.399929 0.853787 S\n0.600071 0.113895 0.646213 S\n0.583494 0.279354 0.043079 S\n0.720646 0.416506 0.456921 S\n0.416506 0.720646 0.956921 S\n0.279354 0.583494 0.543079 S\n0.250955 0.449049 0.839190 S\n0.550951 0.749045 0.660810 S\n0.749045 0.550951 0.160810 S\n0.449049 0.250955 0.339190 S\n0.285630 0.152407 0.085235 S\n0.847593 0.714370 0.414765 S\n0.714370 0.847593 0.914765 S\n0.152407 0.285630 0.585235 S\n0.988146 0.011854 0.250000 I\n0.011854 0.988146 0.750000 I\n",
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"formula_full": "La4 Ce2 Si4 S16 I2",
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"spacegroup": 15
},
{
"id": "mp-1195917",
"created_at": "2022-09-04T14:44:29.599557Z",
"structure_string": "Na2 B14 H28 C4 N4 O28\n1.0\n7.541253 -0.101739 -0.770854\n-1.876008 8.244941 -0.779237\n0.255413 -0.240231 11.637015\nNa B H C N O\n2 14 28 4 4 28\ndirect\n0.616498 0.803998 0.005634 Na\n0.383502 0.196002 0.994366 Na\n0.293587 0.871748 0.820273 B\n0.706413 0.128252 0.179727 B\n0.216321 0.641675 0.938983 B\n0.783679 0.358325 0.061017 B\n0.985708 0.791210 0.891135 B\n0.014292 0.208790 0.108865 B\n0.346343 0.867483 0.608479 B\n0.653657 0.132517 0.391521 B\n0.552477 0.083960 0.756518 B\n0.447523 0.916040 0.243482 B\n0.886968 0.208572 0.776870 B\n0.113032 0.791428 0.223130 B\n0.681425 0.382571 0.749988 B\n0.318575 0.617429 0.250012 B\n0.154035 0.445571 0.012494 H\n0.845965 0.554429 0.987506 H\n0.372831 0.869721 0.443951 H\n0.627169 0.130279 0.556049 H\n0.081276 0.085952 0.805528 H\n0.918724 0.914048 0.194472 H\n0.718457 0.637102 0.802012 H\n0.281543 0.362898 0.197988 H\n0.986547 0.815313 0.640620 H\n0.013453 0.184687 0.359380 H\n0.810678 0.904493 0.663163 H\n0.189322 0.095507 0.336837 H\n0.783699 0.705480 0.664457 H\n0.216301 0.294519 0.335543 H\n0.798646 0.625394 0.269451 H\n0.201354 0.374606 0.730549 H\n0.762704 0.428614 0.299508 H\n0.237296 0.571386 0.700492 H\n0.596527 0.527396 0.308889 H\n0.403473 0.472604 0.691111 H\n0.637666 0.762366 0.483455 H\n0.362334 0.237634 0.516545 H\n0.854423 0.861340 0.449082 H\n0.145577 0.138660 0.550918 H\n0.966468 0.610523 0.449714 H\n0.033532 0.389477 0.550286 H\n0.761480 0.505601 0.499427 H\n0.238520 0.494399 0.500573 H\n0.783112 0.763964 0.494308 C\n0.216888 0.236036 0.505692 C\n0.818872 0.600049 0.446926 C\n0.181128 0.399951 0.553074 C\n0.846438 0.801633 0.621683 N\n0.153562 0.198367 0.378317 N\n0.739396 0.543436 0.323840 N\n0.260604 0.456564 0.676160 N\n0.338560 0.738701 0.881493 O\n0.661440 0.261299 0.118507 O\n0.045887 0.672758 0.951044 O\n0.954113 0.327242 0.048956 O\n0.121164 0.912219 0.856970 O\n0.878836 0.087781 0.143030 O\n0.262182 0.511783 0.982755 O\n0.737818 0.488217 0.017245 O\n0.806726 0.773508 0.867393 O\n0.193274 0.226492 0.132607 O\n0.244287 0.800415 0.691422 O\n0.755713 0.199585 0.308578 O\n0.494217 0.995622 0.635440 O\n0.505783 0.004378 0.364560 O\n0.441291 0.012745 0.840521 O\n0.558709 0.987255 0.159479 O\n0.293878 0.801243 0.493121 O\n0.706122 0.198757 0.506879 O\n0.747454 0.077604 0.778310 O\n0.252546 0.922396 0.221690 O\n0.860936 0.362825 0.762319 O\n0.139064 0.637175 0.237681 O\n0.537560 0.254866 0.752954 O\n0.462440 0.745134 0.247046 O\n0.065617 0.192482 0.782177 O\n0.934383 0.807518 0.217823 O\n0.648348 0.532256 0.731861 O\n0.351652 0.467744 0.268139 O\n",
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"formula_full": "Na2 B14 H28 C4 N4 O28",
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{
"id": "mp-25291",
"created_at": "2022-09-04T14:44:29.620128Z",
"structure_string": "Li1 Ni1 W2 O8\n1.0\n-5.043178 0.000000 0.000000\n2.510718 5.161194 0.000000\n-0.037187 -2.213624 -5.397160\nLi Ni W O\n1 1 2 8\ndirect\n0.965996 0.932650 0.290569 Li\n0.501003 0.000569 0.991354 Ni\n0.262780 0.523675 0.330732 W\n0.742382 0.482892 0.664353 W\n0.269385 0.228096 0.070884 O\n0.723536 0.765527 0.934809 O\n0.678044 0.714079 0.453306 O\n0.247045 0.754609 0.187974 O\n0.179158 0.709507 0.672374 O\n0.323363 0.284881 0.528183 O\n0.738291 0.251976 0.807928 O\n0.824017 0.279338 0.321631 O\n",
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],
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"formula_full": "Li1 Ni1 W2 O8",
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{
"id": "mp-766028",
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"structure_string": "K4 Li5 Ti8 P8 O40\n1.0\n6.483477 0.000000 0.000000\n0.030868 10.641149 0.000000\n0.012493 0.113639 12.859450\nK Li Ti P O\n4 5 8 8 40\ndirect\n0.362998 0.099319 0.906831 K\n0.863731 0.598630 0.593985 K\n0.135157 0.101667 0.410323 K\n0.616854 0.575366 0.079378 K\n0.930970 0.993130 0.892910 Li\n0.431806 0.493550 0.606022 Li\n0.563548 0.001490 0.397486 Li\n0.768033 0.778685 0.255909 Li\n0.067896 0.492317 0.103870 Li\n0.001817 0.511753 0.865081 Ti\n0.252606 0.763859 0.752140 Ti\n0.753225 0.263385 0.747578 Ti\n0.501797 0.013419 0.634582 Ti\n0.499242 0.513736 0.365174 Ti\n0.251735 0.762354 0.251081 Ti\n0.747320 0.264131 0.248052 Ti\n0.000223 0.013318 0.134192 Ti\n0.156987 0.760873 0.001056 P\n0.499029 0.511610 0.815383 P\n0.998690 0.012465 0.683499 P\n0.657565 0.262125 0.498868 P\n0.341918 0.761655 0.500672 P\n0.998333 0.513282 0.315888 P\n0.505535 0.012102 0.184270 P\n0.841548 0.260713 0.999012 P\n0.024100 0.638988 0.999425 O\n0.975854 0.381384 0.993996 O\n0.699088 0.248439 0.902742 O\n0.297753 0.772825 0.903411 O\n0.311291 0.486129 0.886896 O\n0.689548 0.538172 0.882728 O\n0.955701 0.387582 0.773590 O\n0.040506 0.640566 0.775807 O\n0.957064 0.121749 0.762007 O\n0.037411 0.900443 0.760827 O\n0.537075 0.400600 0.738913 O\n0.456567 0.622303 0.737362 O\n0.541371 0.140006 0.724379 O\n0.455706 0.886990 0.725896 O\n0.188724 0.040257 0.615194 O\n0.810094 0.987697 0.613804 O\n0.797715 0.274259 0.596137 O\n0.198422 0.749463 0.597239 O\n0.476207 0.882265 0.504650 O\n0.523981 0.140599 0.502274 O\n0.475208 0.639817 0.497183 O\n0.523177 0.382673 0.492830 O\n0.801890 0.249188 0.402436 O\n0.201597 0.773889 0.402674 O\n0.192146 0.492125 0.381921 O\n0.811330 0.538395 0.386783 O\n0.544823 0.389488 0.273613 O\n0.482276 0.647064 0.272287 O\n0.541698 0.121239 0.262648 O\n0.482673 0.896184 0.260903 O\n0.963549 0.402853 0.238601 O\n0.025238 0.628753 0.239261 O\n0.959138 0.138834 0.224466 O\n0.025696 0.881120 0.227603 O\n0.311663 0.034256 0.118518 O\n0.692118 0.987581 0.113004 O\n0.699768 0.274498 0.096345 O\n0.302460 0.748574 0.097308 O\n0.024615 0.882132 0.005937 O\n0.975897 0.139263 0.003558 O\n",
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"formula_full": "K4 Li5 Ti8 P8 O40",
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{
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"structure_string": "Cd1 Bi1 Br1 O2\n1.0\n-1.986655 1.986655 6.342333\n1.986655 -1.986655 6.342333\n1.986655 1.986655 -6.342333\nCd Bi Br O\n1 1 1 2\ndirect\n0.840952 0.840952 0.000000 Cd\n0.166858 0.166858 0.000000 Bi\n0.488956 0.488956 0.000000 Br\n0.751617 0.251617 0.500000 O\n0.251617 0.751617 0.500000 O\n",
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{
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{
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