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{
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{
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{
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"structure_string": "Be5 Fe1\n1.0\n0.000000 2.917252 2.917252\n2.917252 0.000000 2.917252\n2.917252 2.917252 0.000000\nBe Fe\n5 1\ndirect\n0.626019 0.626019 0.626019 Be\n0.626019 0.626019 0.121944 Be\n0.626019 0.121944 0.626019 Be\n0.121944 0.626019 0.626019 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Fe\n",
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},
{
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"structure_string": "Li3 Ti2 Ni2 O8\n1.0\n2.935206 5.146412 0.000000\n-2.935206 5.146412 0.000000\n0.000000 3.315543 4.835383\nLi Ti Ni O\n3 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.765634 0.765634 0.244137 O\n0.231104 0.231104 0.289636 O\n0.221975 0.774067 0.748269 O\n0.774067 0.221975 0.748269 O\n0.225933 0.778025 0.251731 O\n0.778025 0.225933 0.251731 O\n0.768896 0.768896 0.710364 O\n0.234366 0.234366 0.755863 O\n",
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"spacegroup": 12
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{
"id": "mp-1215944",
"created_at": "2022-09-04T14:42:14.056954Z",
"structure_string": "Zr2 Ti1 Pb3 O9\n1.0\n8.759951 2.950576 0.000000\n-8.759951 2.950576 0.000000\n0.000000 0.097497 4.225870\nZr Ti Pb O\n2 1 3 9\ndirect\n0.358181 0.689446 0.024703 Zr\n0.689446 0.358181 0.024703 Zr\n0.026477 0.026477 0.046962 Ti\n0.223303 0.905172 0.583440 Pb\n0.578798 0.578798 0.575304 Pb\n0.905172 0.223303 0.583440 Pb\n0.315902 0.152830 0.982865 O\n0.681612 0.837943 0.974810 O\n0.996285 0.485249 0.982027 O\n0.485249 0.996285 0.982027 O\n0.837943 0.681612 0.974810 O\n0.152830 0.315902 0.982865 O\n0.641414 0.320899 0.507089 O\n0.996827 0.996827 0.478205 O\n0.320899 0.641414 0.507089 O\n",
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},
{
"id": "mp-756602",
"created_at": "2022-09-04T14:42:14.059265Z",
"structure_string": "Li3 Mn4 Cr1 O8\n1.0\n2.995125 5.371951 0.000000\n-2.995125 5.371951 0.000000\n0.000000 3.330956 4.988808\nLi Mn Cr O\n3 4 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Cr\n0.269609 0.269609 0.250323 O\n0.252859 0.736089 0.763338 O\n0.736089 0.252859 0.763338 O\n0.751154 0.751154 0.267830 O\n0.248846 0.248846 0.732170 O\n0.263911 0.747141 0.236662 O\n0.747141 0.263911 0.236662 O\n0.730391 0.730391 0.749677 O\n",
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{
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{
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"formula_full": "Ba2 Mg1 Mn2 P4 O14",
"formula_reduced": "Ba2MgMn2(P2O7)2",
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{
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"structure_string": "Ba2 Bi2 O6\n1.0\n3.119342 5.398367 0.000000\n-3.119342 5.398367 0.000000\n0.000000 3.637663 5.128537\nBa Bi O\n2 2 6\ndirect\n0.750371 0.750371 0.741814 Ba\n0.249629 0.249629 0.258186 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.785292 0.297722 0.699562 O\n0.702278 0.214708 0.300438 O\n0.214708 0.702278 0.300438 O\n0.297722 0.785292 0.699562 O\n0.741608 0.741608 0.183981 O\n0.258392 0.258392 0.816019 O\n",
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"formula_full": "Ba2 Bi2 O6",
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{
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"created_at": "2022-09-04T14:42:11.538063Z",
"structure_string": "Li12 Mn4 P8 O32\n1.0\n0.009634 0.080684 6.199997\n-0.004801 8.508861 0.066644\n-10.717639 0.006139 -0.016711\nLi Mn P O\n12 4 8 32\ndirect\n0.000027 0.000308 0.000139 Li\n0.000204 0.499934 0.250229 Li\n0.999819 0.000189 0.500221 Li\n0.999909 0.500132 0.750282 Li\n0.230606 0.331337 0.500164 Li\n0.230402 0.831497 0.750048 Li\n0.230592 0.331479 0.999866 Li\n0.230395 0.831321 0.249759 Li\n0.769418 0.168504 0.250230 Li\n0.769579 0.668505 0.500124 Li\n0.769407 0.168687 0.750003 Li\n0.769660 0.668677 0.000327 Li\n0.500151 0.999999 0.000031 Mn\n0.499930 0.500093 0.250081 Mn\n0.499740 0.999925 0.499850 Mn\n0.499832 0.499927 0.749803 Mn\n0.732381 0.353416 0.500072 P\n0.732234 0.853552 0.750016 P\n0.732418 0.353550 0.000044 P\n0.732272 0.853439 0.250008 P\n0.267618 0.146458 0.249920 P\n0.267724 0.646435 0.499960 P\n0.267608 0.146552 0.749926 P\n0.267805 0.646550 0.999986 P\n0.939189 0.255579 0.499946 O\n0.939059 0.755724 0.749890 O\n0.939248 0.255735 0.999822 O\n0.939024 0.755576 0.249868 O\n0.060792 0.244233 0.250070 O\n0.060937 0.744238 0.500031 O\n0.060803 0.244383 0.750119 O\n0.061025 0.744392 0.000193 O\n0.531258 0.252566 0.500018 O\n0.531080 0.752730 0.749970 O\n0.531272 0.252716 0.000042 O\n0.531131 0.752622 0.249939 O\n0.468722 0.247247 0.249981 O\n0.468881 0.747225 0.500039 O\n0.468746 0.247407 0.749930 O\n0.468936 0.747350 0.000021 O\n0.730426 0.469493 0.617070 O\n0.730254 0.969717 0.866989 O\n0.730577 0.469559 0.117116 O\n0.730244 0.969527 0.367017 O\n0.270415 0.030233 0.367509 O\n0.270341 0.530383 0.617596 O\n0.270438 0.030453 0.867518 O\n0.270551 0.530389 0.117587 O\n0.729714 0.469433 0.382427 O\n0.729586 0.969552 0.632354 O\n0.729560 0.469682 0.882448 O\n0.729674 0.969486 0.132382 O\n0.269511 0.030504 0.132835 O\n0.269763 0.530335 0.382970 O\n0.269442 0.030539 0.632875 O\n0.269671 0.530526 0.882940 O\n",
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"formula_full": "Li12 Mn4 P8 O32",
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}