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{
"id": "mp-1223446",
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{
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{
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"structure_string": "Ba2 C2 O6\n1.0\n5.434419 0.000000 0.000000\n0.000000 4.657328 0.000000\n0.000000 1.450405 5.978926\nBa C O\n2 2 6\ndirect\n0.750000 0.877172 0.766420 Ba\n0.250000 0.122828 0.233580 Ba\n0.250000 0.496821 0.744097 C\n0.750000 0.503179 0.255903 C\n0.250000 0.779867 0.653776 O\n0.457777 0.359195 0.795905 O\n0.042223 0.359195 0.795905 O\n0.957777 0.640805 0.204095 O\n0.542223 0.640805 0.204095 O\n0.750000 0.220133 0.346224 O\n",
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"formula_full": "Ba2 C2 O6",
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{
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"created_at": "2022-09-04T14:44:27.736130Z",
"structure_string": "Al4 O6\n1.0\n4.613763 0.000000 0.000000\n0.000000 4.613763 0.000000\n0.000000 0.000000 4.613763\nAl O\n4 6\ndirect\n0.250000 0.750000 0.750000 Al\n0.750000 0.250000 0.750000 Al\n0.750000 0.750000 0.250000 Al\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Al4 O6",
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{
"id": "mp-1208667",
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{
"id": "mp-1211921",
"created_at": "2022-09-04T14:44:21.303580Z",
"structure_string": "Sc4 W10 Se6 O24\n1.0\n7.948960 0.301585 -0.230357\n3.276265 9.765513 -1.043609\n-0.413550 -1.102501 10.791829\nSc W Se O\n4 10 6 24\ndirect\n0.699605 0.726098 0.585302 Sc\n0.446280 0.387192 0.773661 Sc\n0.352656 0.398230 0.239112 Sc\n0.102780 0.031385 0.895788 Sc\n0.773590 0.891489 0.178614 W\n0.154795 0.747207 0.002474 W\n0.091052 0.829145 0.367701 W\n0.711608 0.971879 0.466311 W\n0.003980 0.503588 0.070442 W\n0.029803 0.832500 0.650396 W\n0.754641 0.286890 0.360163 W\n0.969047 0.530023 0.791555 W\n0.846851 0.220226 0.648296 W\n0.749959 0.922770 0.893030 W\n0.362999 0.052366 0.678742 Se\n0.477263 0.731638 0.811930 Se\n0.466579 0.708858 0.302463 Se\n0.200945 0.108338 0.221027 Se\n0.697096 0.289280 0.036428 Se\n0.159898 0.460203 0.516149 Se\n0.150193 0.133127 0.067782 O\n0.606891 0.956193 0.646859 O\n0.355808 0.027509 0.830579 O\n0.205426 0.531888 0.399594 O\n0.194228 0.806430 0.831333 O\n0.025383 0.387711 0.905701 O\n0.499844 0.336559 0.954847 O\n0.358017 0.221511 0.701062 O\n0.176572 0.804298 0.185327 O\n0.647746 0.654513 0.412430 O\n0.531143 0.556276 0.813394 O\n0.230656 0.265742 0.285244 O\n0.334872 0.462665 0.614342 O\n0.777771 0.365240 0.542023 O\n0.896649 0.678040 0.170421 O\n0.746096 0.717328 0.786390 O\n0.992431 0.617671 0.612894 O\n0.620997 0.248649 0.168520 O\n0.601728 0.032337 0.308392 O\n0.450373 0.742383 0.654257 O\n0.011415 0.049452 0.718712 O\n0.464639 0.539560 0.230165 O\n0.812705 0.118591 0.950550 O\n0.992791 0.130319 0.279399 O\n",
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{
"id": "mp-1222168",
"created_at": "2022-09-04T14:44:21.314179Z",
"structure_string": "Mg10 Ti2 B4 O20\n1.0\n3.047384 0.000000 0.000000\n0.000000 9.389797 0.000000\n0.000000 0.000000 12.467512\nMg Ti B O\n10 2 4 20\ndirect\n0.000000 0.265231 0.504421 Mg\n0.000000 0.734769 0.004421 Mg\n0.500000 0.265639 0.279023 Mg\n0.500000 0.261033 0.714615 Mg\n0.500000 0.738967 0.214615 Mg\n0.500000 0.734361 0.779023 Mg\n0.500000 0.264801 0.004230 Mg\n0.500000 0.735199 0.504230 Mg\n0.000000 0.485627 0.117474 Mg\n0.000000 0.514373 0.617474 Mg\n0.000000 0.009943 0.884367 Ti\n0.000000 0.990057 0.384367 Ti\n0.000000 0.526829 0.359837 B\n0.000000 0.979104 0.639979 B\n0.000000 0.020896 0.139979 B\n0.000000 0.473171 0.859837 B\n0.000000 0.602502 0.454724 O\n0.000000 0.905733 0.540433 O\n0.000000 0.094267 0.040433 O\n0.000000 0.397498 0.954724 O\n0.500000 0.638708 0.074499 O\n0.500000 0.876861 0.921417 O\n0.500000 0.123139 0.421417 O\n0.500000 0.361292 0.574499 O\n0.000000 0.376361 0.358491 O\n0.000000 0.123628 0.643318 O\n0.000000 0.876372 0.143318 O\n0.000000 0.623639 0.858491 O\n0.500000 0.351968 0.143095 O\n0.500000 0.135135 0.855894 O\n0.500000 0.864865 0.355894 O\n0.500000 0.648032 0.643095 O\n0.000000 0.602638 0.264610 O\n0.000000 0.904696 0.739572 O\n0.000000 0.095304 0.239572 O\n0.000000 0.397362 0.764610 O\n",
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{
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"structure_string": "Li4 Fe8 C8 O28\n1.0\n5.989784 0.000000 0.000000\n0.000000 9.331020 0.000000\n0.000000 4.575817 9.389726\nLi Fe C O\n4 8 8 28\ndirect\n0.559563 0.240833 0.492785 Li\n0.059563 0.259167 0.507215 Li\n0.940437 0.740833 0.492785 Li\n0.440437 0.759167 0.507215 Li\n0.384840 0.403814 0.161858 Fe\n0.419226 0.790753 0.988287 Fe\n0.115160 0.903814 0.161858 Fe\n0.080774 0.290753 0.988287 Fe\n0.919226 0.709247 0.011713 Fe\n0.884840 0.096186 0.838142 Fe\n0.580774 0.209247 0.011713 Fe\n0.615160 0.596186 0.838142 Fe\n0.843426 0.342509 0.225694 C\n0.260310 0.572540 0.332572 C\n0.656574 0.842509 0.225694 C\n0.760310 0.927460 0.667428 C\n0.239690 0.072540 0.332572 C\n0.343426 0.157491 0.774306 C\n0.739690 0.427460 0.667428 C\n0.156574 0.657491 0.774306 C\n0.623461 0.605756 0.021430 O\n0.016511 0.387626 0.139977 O\n0.305144 0.200921 0.342387 O\n0.289176 0.586401 0.200014 O\n0.826951 0.359338 0.339000 O\n0.876539 0.105756 0.021430 O\n0.483489 0.887626 0.139977 O\n0.824055 0.781844 0.182763 O\n0.798048 0.057522 0.561580 O\n0.298048 0.442478 0.438420 O\n0.194856 0.700921 0.342387 O\n0.324055 0.718156 0.817237 O\n0.210824 0.086401 0.200014 O\n0.326951 0.140662 0.661000 O\n0.673049 0.859338 0.339000 O\n0.789176 0.913599 0.799986 O\n0.675945 0.281844 0.182763 O\n0.805144 0.299079 0.657613 O\n0.701952 0.557522 0.561580 O\n0.201952 0.942478 0.438420 O\n0.175945 0.218156 0.817237 O\n0.516511 0.112374 0.860023 O\n0.123461 0.894244 0.978570 O\n0.173049 0.640662 0.661000 O\n0.710824 0.413599 0.799986 O\n0.694856 0.799079 0.657613 O\n0.983489 0.612374 0.860023 O\n0.376539 0.394244 0.978570 O\n",
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{
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{
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"structure_string": "Ca2 Cu4 O8\n1.0\n-2.912397 2.912397 4.737913\n2.912397 -2.912397 4.737913\n2.912397 2.912397 -4.737913\nCa Cu O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.875000 0.625000 0.250000 Cu\n0.375000 0.625000 0.750000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.250000 Cu\n0.025491 0.944649 0.370200 O\n0.055351 0.425551 0.080842 O\n0.344709 0.974509 0.919158 O\n0.175551 0.594709 0.870200 O\n0.405291 0.275491 0.580842 O\n0.694649 0.824449 0.419158 O\n0.574449 0.655291 0.629800 O\n0.724509 0.305351 0.129800 O\n",
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{
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}