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{
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{
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"structure_string": "Li4 Mn4 P12 O36\n1.0\n5.192200 0.000000 0.000000\n0.000000 11.823601 0.000000\n0.000000 0.000000 12.179134\nLi Mn P O\n4 4 12 36\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.979378 0.250000 0.078290 Mn\n0.979378 0.750000 0.421710 Mn\n0.020622 0.250000 0.578290 Mn\n0.020622 0.750000 0.921710 Mn\n0.234402 0.000000 0.750000 P\n0.234402 0.500000 0.750000 P\n0.514077 0.634233 0.070986 P\n0.514077 0.134233 0.429014 P\n0.514077 0.865767 0.070986 P\n0.514077 0.365767 0.429014 P\n0.485923 0.634233 0.570986 P\n0.485923 0.365767 0.929014 P\n0.485923 0.134233 0.929014 P\n0.485923 0.865767 0.570986 P\n0.765598 0.000000 0.250000 P\n0.765598 0.500000 0.250000 P\n0.091616 0.097318 0.699141 O\n0.091616 0.402682 0.699141 O\n0.091616 0.597318 0.800859 O\n0.091616 0.902682 0.800859 O\n0.244240 0.125886 0.474274 O\n0.244240 0.625886 0.025726 O\n0.244240 0.374114 0.474274 O\n0.244240 0.874114 0.025726 O\n0.266114 0.129230 0.010222 O\n0.266114 0.370770 0.010222 O\n0.266114 0.870770 0.489778 O\n0.266114 0.629230 0.489778 O\n0.465853 0.250000 0.858984 O\n0.465853 0.750000 0.641016 O\n0.453042 0.542985 0.663648 O\n0.453042 0.042985 0.836352 O\n0.453042 0.957015 0.663648 O\n0.453042 0.457015 0.836352 O\n0.546958 0.542985 0.163648 O\n0.546958 0.042985 0.336352 O\n0.546958 0.457015 0.336352 O\n0.546958 0.957015 0.163648 O\n0.534147 0.750000 0.141016 O\n0.534147 0.250000 0.358984 O\n0.733886 0.370770 0.510222 O\n0.733886 0.629230 0.989778 O\n0.733886 0.129230 0.510222 O\n0.733886 0.870770 0.989778 O\n0.755760 0.874114 0.525726 O\n0.755760 0.625886 0.525726 O\n0.755760 0.374114 0.974274 O\n0.755760 0.125886 0.974274 O\n0.908384 0.402682 0.199141 O\n0.908384 0.597318 0.300859 O\n0.908384 0.097318 0.199141 O\n0.908384 0.902682 0.300859 O\n",
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"formula_full": "Li4 Mn4 P12 O36",
"formula_reduced": "LiMn(PO3)3",
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"updated_at": "2021-11-28T01:38:11.100000Z",
"spacegroup": 57
},
{
"id": "mp-1232992",
"created_at": "2022-09-04T14:47:27.336180Z",
"structure_string": "Li1 Pr2 Br2 O4\n1.0\n0.435332 -4.336061 0.101750\n-5.929119 0.420348 2.526304\n-0.051201 0.182252 -7.316526\nLi Pr Br O\n1 2 2 4\ndirect\n0.862179 0.607936 0.195171 Li\n0.751540 0.196931 0.371290 Pr\n0.203483 0.921915 0.667174 Pr\n0.701331 0.795218 0.955163 Br\n0.291428 0.336015 0.080409 Br\n0.917719 0.583104 0.447334 O\n0.275823 0.234458 0.538757 O\n0.718398 0.995198 0.588534 O\n0.208654 0.016726 0.359871 O\n",
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],
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"density_atomic": 0.048124601374585296,
"volume": 187.01453607785973,
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"formula_full": "Li1 Pr2 Br2 O4",
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},
{
"id": "mp-1041173",
"created_at": "2022-09-04T14:47:44.877999Z",
"structure_string": "Be12 Si12 Ag8 O48\n1.0\n7.786354 0.000000 0.000000\n0.000000 8.283050 0.000000\n0.000000 8.194560 14.518080\nBe Si Ag O\n12 12 8 48\ndirect\n0.839236 0.808562 0.763671 Be\n0.661979 0.160622 0.404126 Be\n0.161979 0.839378 0.095874 Be\n0.338021 0.839378 0.595874 Be\n0.838021 0.160622 0.904126 Be\n0.163316 0.478302 0.417573 Be\n0.663316 0.521698 0.082427 Be\n0.836684 0.521698 0.582427 Be\n0.336684 0.478302 0.917573 Be\n0.660764 0.808562 0.263671 Be\n0.160764 0.191438 0.236329 Be\n0.339236 0.191438 0.736329 Be\n0.221629 0.812514 0.767627 Si\n0.721629 0.187486 0.732373 Si\n0.778371 0.187486 0.232373 Si\n0.278371 0.812514 0.267627 Si\n0.726962 0.466269 0.922248 Si\n0.226962 0.533731 0.577752 Si\n0.273038 0.533731 0.077752 Si\n0.773038 0.466269 0.422248 Si\n0.226568 0.155796 0.905441 Si\n0.726568 0.844204 0.594559 Si\n0.773432 0.844204 0.094559 Si\n0.273432 0.155796 0.405441 Si\n0.464912 0.159809 0.089118 Ag\n0.035088 0.159809 0.589118 Ag\n0.535088 0.840191 0.910882 Ag\n0.964912 0.840191 0.410882 Ag\n0.554437 0.810917 0.432247 Ag\n0.054437 0.189083 0.067753 Ag\n0.445563 0.189083 0.567753 Ag\n0.945563 0.810917 0.932247 Ag\n0.146287 0.711215 0.048942 O\n0.028198 0.773753 0.812810 O\n0.528198 0.226247 0.687190 O\n0.971802 0.226247 0.187190 O\n0.471802 0.773753 0.312810 O\n0.529191 0.388077 0.951029 O\n0.029191 0.611923 0.548971 O\n0.470809 0.611923 0.048971 O\n0.970809 0.388077 0.451029 O\n0.031131 0.090547 0.893142 O\n0.531131 0.909453 0.606858 O\n0.968869 0.909453 0.106858 O\n0.141952 0.097954 0.347377 O\n0.641952 0.902046 0.152623 O\n0.858048 0.902046 0.652623 O\n0.358048 0.097954 0.847377 O\n0.646287 0.288785 0.451058 O\n0.468869 0.090547 0.393142 O\n0.353713 0.711215 0.548942 O\n0.853713 0.288785 0.951058 O\n0.764321 0.957968 0.479731 O\n0.641605 0.295377 0.146855 O\n0.858395 0.295377 0.646855 O\n0.358395 0.704623 0.853145 O\n0.741099 0.249366 0.809632 O\n0.241099 0.750634 0.690368 O\n0.258901 0.750634 0.190368 O\n0.758901 0.249366 0.309632 O\n0.737256 0.620221 0.814645 O\n0.237256 0.379779 0.685355 O\n0.262744 0.379779 0.185355 O\n0.762744 0.620221 0.314645 O\n0.238706 0.373459 0.873652 O\n0.738706 0.626541 0.626348 O\n0.761294 0.626541 0.126348 O\n0.261294 0.373459 0.373652 O\n0.744555 0.957721 0.789387 O\n0.244555 0.042279 0.710613 O\n0.255445 0.042279 0.210613 O\n0.755445 0.957721 0.289387 O\n0.776528 0.566015 0.985968 O\n0.276528 0.433985 0.514032 O\n0.223472 0.433985 0.014032 O\n0.723472 0.566015 0.485968 O\n0.735679 0.957968 0.979731 O\n0.235679 0.042032 0.520269 O\n0.264321 0.042032 0.020269 O\n0.141605 0.704623 0.353145 O\n",
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],
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"volume": 936.3400779974045,
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"formula_full": "Be12 Si12 Ag8 O48",
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{
"id": "mp-1039804",
"created_at": "2022-09-04T14:47:26.914630Z",
"structure_string": "Mg30 Si1 C1 O32\n1.0\n8.540069 0.000000 0.000000\n0.000000 8.540069 0.000000\n0.000000 0.000000 8.538464\nMg Si C O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253478 0.253478 0.000000 Mg\n0.746522 0.253478 0.000000 Mg\n0.253478 0.746522 0.000000 Mg\n0.746522 0.746522 0.000000 Mg\n0.250552 0.250552 0.500000 Mg\n0.749448 0.250552 0.500000 Mg\n0.250552 0.749448 0.500000 Mg\n0.749448 0.749448 0.500000 Mg\n0.251780 0.000000 0.251065 Mg\n0.748220 0.000000 0.251065 Mg\n0.251870 0.500000 0.248238 Mg\n0.748130 0.500000 0.248238 Mg\n0.251780 0.000000 0.748935 Mg\n0.748220 0.000000 0.748935 Mg\n0.251870 0.500000 0.751762 Mg\n0.748130 0.500000 0.751762 Mg\n0.000000 0.251780 0.251065 Mg\n0.500000 0.251870 0.248238 Mg\n0.000000 0.748220 0.251065 Mg\n0.500000 0.748130 0.248238 Mg\n0.000000 0.251780 0.748935 Mg\n0.500000 0.251870 0.751762 Mg\n0.000000 0.748220 0.748935 Mg\n0.500000 0.748130 0.751762 Mg\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.259182 O\n0.500000 0.000000 0.251152 O\n0.000000 0.500000 0.251152 O\n0.500000 0.500000 0.251647 O\n0.000000 0.000000 0.740818 O\n0.500000 0.000000 0.748848 O\n0.000000 0.500000 0.748848 O\n0.500000 0.500000 0.748353 O\n0.250133 0.250133 0.249046 O\n0.749867 0.250133 0.249046 O\n0.250133 0.749867 0.249046 O\n0.749867 0.749867 0.249046 O\n0.250133 0.250133 0.750954 O\n0.749867 0.250133 0.750954 O\n0.250133 0.749867 0.750954 O\n0.749867 0.749867 0.750954 O\n0.259121 0.000000 0.000000 O\n0.740879 0.000000 0.000000 O\n0.248271 0.500000 0.000000 O\n0.751729 0.500000 0.000000 O\n0.251254 0.000000 0.500000 O\n0.748746 0.000000 0.500000 O\n0.250964 0.500000 0.500000 O\n0.749036 0.500000 0.500000 O\n0.000000 0.259121 0.000000 O\n0.500000 0.248271 0.000000 O\n0.000000 0.740879 0.000000 O\n0.500000 0.751729 0.000000 O\n0.000000 0.251254 0.500000 O\n0.500000 0.250964 0.500000 O\n0.000000 0.748746 0.500000 O\n0.500000 0.749036 0.500000 O\n",
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"formula_full": "Mg30 Si1 C1 O32",
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"formula_anonymous": "ABC30D32",
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"spacegroup": 123
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{
"id": "mp-1199775",
"created_at": "2022-09-04T14:47:39.204077Z",
"structure_string": "Mg4 Te4 Br24 O24\n1.0\n10.962294 0.000000 0.000000\n0.000000 10.962294 0.000000\n0.000000 0.000000 10.962294\nMg Te Br O\n4 4 24 24\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.530482 0.724943 0.152067 Br\n0.469518 0.224943 0.347933 Br\n0.969518 0.275057 0.652067 Br\n0.030482 0.775057 0.847933 Br\n0.152067 0.530482 0.724943 Br\n0.347933 0.469518 0.224943 Br\n0.652067 0.969518 0.275057 Br\n0.847933 0.030482 0.775057 Br\n0.724943 0.152067 0.530482 Br\n0.224943 0.347933 0.469518 Br\n0.275057 0.652067 0.969518 Br\n0.775057 0.847933 0.030482 Br\n0.469518 0.275057 0.847933 Br\n0.530482 0.775057 0.652067 Br\n0.030482 0.724943 0.347933 Br\n0.969518 0.224943 0.152067 Br\n0.847933 0.469518 0.275057 Br\n0.652067 0.530482 0.775057 Br\n0.347933 0.030482 0.724943 Br\n0.152067 0.969518 0.224943 Br\n0.275057 0.847933 0.469518 Br\n0.775057 0.652067 0.530482 Br\n0.724943 0.347933 0.030482 Br\n0.224943 0.152067 0.969518 Br\n0.437959 0.654758 0.600735 O\n0.562041 0.154758 0.899265 O\n0.062041 0.345242 0.100735 O\n0.937959 0.845242 0.399265 O\n0.600735 0.437959 0.654758 O\n0.899265 0.562041 0.154758 O\n0.100735 0.062041 0.345242 O\n0.399265 0.937959 0.845242 O\n0.654758 0.600735 0.437959 O\n0.154758 0.899265 0.562041 O\n0.345242 0.100735 0.062041 O\n0.845242 0.399265 0.937959 O\n0.562041 0.345242 0.399265 O\n0.437959 0.845242 0.100735 O\n0.937959 0.654758 0.899265 O\n0.062041 0.154758 0.600735 O\n0.399265 0.562041 0.345242 O\n0.100735 0.437959 0.845242 O\n0.899265 0.937959 0.654758 O\n0.600735 0.062041 0.154758 O\n0.345242 0.399265 0.562041 O\n0.845242 0.100735 0.437959 O\n0.654758 0.899265 0.937959 O\n0.154758 0.600735 0.062041 O\n",
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{
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