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{
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{
"id": "mp-2981",
"created_at": "2022-09-04T14:46:20.491970Z",
"structure_string": "Ca18 Te18 O54\n1.0\n-10.598158 0.000000 0.000000\n3.681184 10.767786 0.000000\n-1.037867 -3.043749 -13.555299\nCa Te O\n18 18 54\ndirect\n0.903497 0.051314 0.325825 Ca\n0.096503 0.948686 0.674175 Ca\n0.524237 0.030890 0.632655 Ca\n0.475763 0.969110 0.367345 Ca\n0.186355 0.033861 0.971419 Ca\n0.813645 0.966139 0.028581 Ca\n0.088447 0.384516 0.435385 Ca\n0.911553 0.615484 0.564615 Ca\n0.744914 0.415628 0.736871 Ca\n0.255086 0.584372 0.263129 Ca\n0.402482 0.371204 0.076660 Ca\n0.597518 0.628796 0.923340 Ca\n0.065092 0.861322 0.408451 Ca\n0.934908 0.138678 0.591549 Ca\n0.698863 0.860279 0.756704 Ca\n0.301137 0.139721 0.243296 Ca\n0.434430 0.882037 0.083090 Ca\n0.565570 0.117963 0.916910 Ca\n0.064347 0.820415 0.135042 Te\n0.935653 0.179585 0.864958 Te\n0.750446 0.834699 0.519097 Te\n0.249554 0.165301 0.480903 Te\n0.377461 0.810982 0.835164 Te\n0.622539 0.189018 0.164836 Te\n0.904441 0.555247 0.310691 Te\n0.095559 0.444753 0.689309 Te\n0.485168 0.522435 0.648833 Te\n0.514832 0.477565 0.351167 Te\n0.225845 0.516205 0.969992 Te\n0.774155 0.483795 0.030008 Te\n0.046712 0.265988 0.141781 Te\n0.953288 0.734012 0.858219 Te\n0.717382 0.276206 0.454481 Te\n0.282618 0.723794 0.545519 Te\n0.391719 0.238086 0.787238 Te\n0.608281 0.761914 0.212762 Te\n0.999058 0.890359 0.045068 O\n0.000942 0.109641 0.954932 O\n0.868510 0.818089 0.609308 O\n0.131490 0.181911 0.390692 O\n0.525789 0.784450 0.884099 O\n0.474211 0.215550 0.115901 O\n0.238734 0.935874 0.140693 O\n0.761266 0.064126 0.859307 O\n0.881295 0.950086 0.455663 O\n0.118705 0.049914 0.544337 O\n0.494602 0.925930 0.762618 O\n0.505398 0.074070 0.237382 O\n0.998000 0.893649 0.254711 O\n0.002000 0.106351 0.745289 O\n0.717036 0.972297 0.616888 O\n0.282964 0.027703 0.383112 O\n0.368014 0.945621 0.944459 O\n0.631986 0.054379 0.055541 O\n0.922773 0.471730 0.409389 O\n0.077227 0.528270 0.590611 O\n0.337292 0.563510 0.714225 O\n0.662708 0.436490 0.285775 O\n0.219802 0.479893 0.096597 O\n0.780198 0.520107 0.903403 O\n0.082922 0.670801 0.299246 O\n0.917078 0.329199 0.700754 O\n0.572508 0.508142 0.757629 O\n0.427492 0.491858 0.242371 O\n0.388547 0.483372 0.940464 O\n0.611453 0.516628 0.059536 O\n0.857937 0.682294 0.407918 O\n0.142063 0.317706 0.592082 O\n0.589701 0.685895 0.634385 O\n0.410299 0.314105 0.365615 O\n0.272889 0.694027 0.998638 O\n0.727111 0.305973 0.001362 O\n0.430226 0.770497 0.229710 O\n0.569774 0.229503 0.770290 O\n0.129216 0.777223 0.540584 O\n0.870784 0.222777 0.459416 O\n0.801808 0.795302 0.880162 O\n0.198192 0.204698 0.119838 O\n0.633378 0.801430 0.085538 O\n0.366622 0.198570 0.914462 O\n0.267555 0.591788 0.431567 O\n0.732445 0.408212 0.568433 O\n0.083941 0.877229 0.820840 O\n0.916059 0.122771 0.179160 O\n0.680577 0.924826 0.295273 O\n0.319423 0.075174 0.704727 O\n0.410386 0.862611 0.500146 O\n0.589614 0.137389 0.499854 O\n0.900413 0.624880 0.733420 O\n0.099587 0.375120 0.266580 O\n",
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"density": 4.167330249802311,
"density_atomic": 0.05818038653868208,
"volume": 1546.9130639096422,
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"formula_full": "Ca18 Te18 O54",
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"spacegroup": 2
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{
"id": "mp-20742",
"created_at": "2022-09-04T14:46:23.672533Z",
"structure_string": "Eu4 P4 Se12\n1.0\n7.821086 0.000000 0.000000\n0.000000 7.036015 0.000000\n0.000000 6.708539 9.763784\nEu P Se\n4 4 12\ndirect\n0.887009 0.713952 0.749076 Eu\n0.387009 0.286048 0.750924 Eu\n0.112991 0.286048 0.250924 Eu\n0.612991 0.713952 0.249076 Eu\n0.894217 0.374060 0.564236 P\n0.394217 0.625940 0.935764 P\n0.105783 0.625940 0.435764 P\n0.605783 0.374060 0.064236 P\n0.492558 0.121812 0.267724 Se\n0.992558 0.878188 0.232276 Se\n0.507442 0.878188 0.732276 Se\n0.007442 0.121812 0.767724 Se\n0.699418 0.222879 0.954279 Se\n0.199418 0.777121 0.545721 Se\n0.300582 0.777121 0.045721 Se\n0.800582 0.222879 0.454279 Se\n0.806307 0.602680 0.057757 Se\n0.306307 0.397320 0.442243 Se\n0.193693 0.397320 0.942243 Se\n0.693693 0.602680 0.557757 Se\n",
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"formula_full": "Eu4 P4 Se12",
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{
"id": "mp-1207183",
"created_at": "2022-09-04T14:46:13.125651Z",
"structure_string": "Mn3 Au1 N1\n1.0\n3.822994 0.000000 0.000000\n0.000000 3.822994 0.000000\n0.000000 0.000000 3.822994\nMn Au N\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 N\n",
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{
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{
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"structure_string": "Ba4 Fe4 O12\n1.0\n12.678984 -3.091246 0.000000\n12.678984 3.091246 0.000000\n11.925312 0.000000 5.300885\nBa Fe O\n4 4 12\ndirect\n0.971516 0.971516 0.971516 Ba\n0.563662 0.563662 0.563662 Ba\n0.388168 0.388168 0.388168 Ba\n0.200698 0.200698 0.200698 Ba\n0.837651 0.837651 0.837651 Fe\n0.766340 0.766340 0.766340 Fe\n0.671310 0.671310 0.671310 Fe\n0.293249 0.293249 0.293249 Fe\n0.494716 0.494716 0.008510 O\n0.494716 0.008510 0.494716 O\n0.400416 0.400416 0.988832 O\n0.400416 0.988832 0.400416 O\n0.988832 0.400416 0.400416 O\n0.154493 0.701198 0.701198 O\n0.701198 0.154493 0.701198 O\n0.701198 0.701198 0.154493 O\n0.612203 0.071804 0.612203 O\n0.071804 0.612203 0.612203 O\n0.612203 0.612203 0.071804 O\n0.008510 0.494716 0.494716 O\n",
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{
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"structure_string": "Al8 Ga8 O24\n1.0\n4.995092 0.000000 0.000000\n0.000000 8.625028 0.000000\n0.000000 0.000000 9.159761\nAl Ga O\n8 8 24\ndirect\n0.180542 0.466093 0.790319 Al\n0.189706 0.157306 0.584683 Al\n0.310294 0.657306 0.084683 Al\n0.319458 0.966093 0.290319 Al\n0.680542 0.033907 0.790319 Al\n0.689706 0.342694 0.584683 Al\n0.810294 0.842694 0.084683 Al\n0.819458 0.533907 0.290319 Al\n0.182546 0.149405 0.991722 Ga\n0.186319 0.842082 0.807600 Ga\n0.313681 0.342082 0.307600 Ga\n0.317454 0.649405 0.491722 Ga\n0.682546 0.350595 0.991722 Ga\n0.686319 0.657918 0.807600 Ga\n0.813681 0.157918 0.307600 Ga\n0.817454 0.850595 0.491722 Ga\n0.032161 0.336010 0.932435 O\n0.037884 0.012539 0.432793 O\n0.019454 0.679270 0.934694 O\n0.148616 0.831012 0.170045 O\n0.168669 0.154361 0.197025 O\n0.150338 0.507951 0.203076 O\n0.349662 0.007951 0.703076 O\n0.331331 0.654361 0.697025 O\n0.351384 0.331012 0.670045 O\n0.480546 0.179270 0.434694 O\n0.462116 0.512539 0.932793 O\n0.467839 0.836010 0.432435 O\n0.532161 0.163990 0.932435 O\n0.537884 0.487461 0.432793 O\n0.519454 0.820730 0.934694 O\n0.648616 0.668988 0.170045 O\n0.668669 0.345639 0.197025 O\n0.650338 0.992049 0.203076 O\n0.849662 0.492049 0.703076 O\n0.831331 0.845639 0.697025 O\n0.851384 0.168988 0.670045 O\n0.980546 0.320730 0.434694 O\n0.962116 0.987461 0.932793 O\n0.967839 0.663990 0.432435 O\n",
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{
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}