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{
"id": "mp-1184020",
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"structure_string": "Cs2 Li6 I8\n1.0\n4.680424 0.000000 0.000000\n0.000000 11.205044 0.000000\n0.000000 0.647212 11.660077\nCs Li I\n2 6 8\ndirect\n0.500000 0.867565 0.152684 Cs\n0.500000 0.420473 0.299977 Cs\n0.000000 0.010913 0.444477 Li\n0.000000 0.640291 0.611055 Li\n0.500000 0.288406 0.663771 Li\n0.500000 0.925901 0.769628 Li\n0.500000 0.543834 0.936970 Li\n0.000000 0.189529 0.989209 Li\n0.000000 0.583852 0.066538 I\n0.000000 0.147359 0.229464 I\n0.000000 0.770074 0.404266 I\n0.500000 0.064878 0.566226 I\n0.000000 0.396423 0.572094 I\n0.500000 0.682935 0.734418 I\n0.000000 0.968520 0.894002 I\n0.500000 0.299111 0.903459 I\n",
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{
"id": "mp-1218635",
"created_at": "2022-09-04T14:41:36.592582Z",
"structure_string": "Sr1 Ca3 Al8 Si8 O40\n1.0\n13.086230 0.000000 0.000000\n0.000000 5.910762 0.000000\n0.000000 0.024264 8.925043\nSr Ca Al Si O\n1 3 8 8 40\ndirect\n0.500000 0.994396 0.671809 Sr\n0.000000 0.503888 0.836059 Ca\n0.000000 0.003951 0.337028 Ca\n0.500000 0.494966 0.162950 Ca\n0.751672 0.250942 0.750013 Al\n0.750499 0.749888 0.249952 Al\n0.249501 0.749888 0.249952 Al\n0.248328 0.250942 0.750013 Al\n0.750623 0.250161 0.250016 Al\n0.751820 0.748936 0.750066 Al\n0.249377 0.250161 0.250016 Al\n0.248180 0.748936 0.750066 Al\n0.620500 0.500943 0.519318 Si\n0.619906 0.001261 0.023071 Si\n0.118583 0.498812 0.479078 Si\n0.118654 0.998760 0.979282 Si\n0.881417 0.498812 0.479078 Si\n0.881346 0.998760 0.979282 Si\n0.379500 0.500943 0.519318 Si\n0.380094 0.001261 0.023071 Si\n0.691481 0.499489 0.851435 O\n0.691303 0.999697 0.351118 O\n0.190418 0.500447 0.148189 O\n0.190401 0.000446 0.649343 O\n0.809582 0.500447 0.148189 O\n0.809599 0.000446 0.649343 O\n0.308519 0.499489 0.851435 O\n0.308697 0.999697 0.351118 O\n0.363323 0.231271 0.122503 O\n0.359299 0.727021 0.619278 O\n0.865083 0.770252 0.878654 O\n0.864585 0.270213 0.377997 O\n0.134917 0.770252 0.878654 O\n0.135415 0.270213 0.377997 O\n0.636677 0.231271 0.122503 O\n0.640701 0.727021 0.619278 O\n0.684202 0.499361 0.360141 O\n0.683405 0.999316 0.863103 O\n0.181807 0.500350 0.638720 O\n0.184466 0.000399 0.137019 O\n0.818193 0.500350 0.638720 O\n0.815534 0.000399 0.137019 O\n0.315798 0.499361 0.360141 O\n0.316595 0.999316 0.863103 O\n0.000000 0.473876 0.112610 O\n0.000000 0.973901 0.612550 O\n0.500000 0.528037 0.887268 O\n0.500000 0.028331 0.373579 O\n0.635085 0.771513 0.124623 O\n0.638898 0.275094 0.621614 O\n0.133822 0.227043 0.876689 O\n0.134330 0.727246 0.376089 O\n0.866178 0.227043 0.876689 O\n0.865670 0.727246 0.376089 O\n0.364915 0.771513 0.124623 O\n0.361102 0.275094 0.621614 O\n0.000000 0.496330 0.545475 O\n0.000000 0.996409 0.046951 O\n0.500000 0.503882 0.457028 O\n0.500000 0.004314 0.962072 O\n",
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"elements": [
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"volume": 690.3484257722089,
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"formula_full": "Sr1 Ca3 Al8 Si8 O40",
"formula_reduced": "SrCa3Al8(SiO5)8",
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"energy": -441.7729698600001,
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"updated_at": "2021-11-28T01:35:27.112000Z",
"spacegroup": 6
},
{
"id": "mp-1073477",
"created_at": "2022-09-04T14:41:35.511673Z",
"structure_string": "Mg4 Si8\n1.0\n3.631622 0.000000 0.000000\n0.000000 5.332388 0.000000\n0.000000 0.918804 11.830048\nMg Si\n4 8\ndirect\n0.500000 0.980575 0.960640 Mg\n0.000000 0.168678 0.178033 Mg\n0.000000 0.651525 0.356196 Mg\n0.500000 0.355685 0.593754 Mg\n0.500000 0.477322 0.042054 Si\n0.500000 0.481742 0.840055 Si\n0.500000 0.867849 0.717174 Si\n0.500000 0.257393 0.349168 Si\n0.000000 0.209717 0.792192 Si\n0.000000 0.692751 0.119117 Si\n0.000000 0.097088 0.455707 Si\n0.000000 0.759743 0.595811 Si\n",
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"elements": [
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"chemical_system": "Mg-Si",
"density": 2.333278521341475,
"density_atomic": 0.052380827921338774,
"volume": 229.0914534230084,
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"formula_full": "Mg4 Si8",
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{
"id": "mp-759130",
"created_at": "2022-09-04T14:41:35.480784Z",
"structure_string": "Fe18 O18 F18\n1.0\n3.103013 0.000000 0.000000\n0.000000 14.223116 0.000000\n0.000000 0.057751 14.263090\nFe O F\n18 18 18\ndirect\n0.000000 0.987847 0.996057 Fe\n0.000000 0.992070 0.326614 Fe\n0.000000 0.993921 0.670151 Fe\n0.500000 0.845757 0.163480 Fe\n0.500000 0.833808 0.520592 Fe\n0.500000 0.846757 0.829838 Fe\n0.000000 0.654695 0.995921 Fe\n0.000000 0.656571 0.334535 Fe\n0.000000 0.663420 0.655706 Fe\n0.500000 0.512953 0.499999 Fe\n0.500000 0.517486 0.167720 Fe\n0.500000 0.495651 0.847319 Fe\n0.000000 0.332616 0.997878 Fe\n0.000000 0.320118 0.331253 Fe\n0.000000 0.319699 0.666369 Fe\n0.500000 0.183607 0.159975 Fe\n0.500000 0.180117 0.499608 Fe\n0.500000 0.161820 0.813501 Fe\n0.500000 0.934974 0.270312 O\n0.500000 0.937637 0.600451 O\n0.500000 0.935948 0.935526 O\n0.000000 0.899311 0.102763 O\n0.000000 0.893586 0.768008 O\n0.000000 0.766531 0.567412 O\n0.500000 0.604274 0.270563 O\n0.500000 0.597168 0.607021 O\n0.500000 0.602324 0.932732 O\n0.000000 0.565278 0.101355 O\n0.000000 0.565925 0.436892 O\n0.000000 0.429243 0.902256 O\n0.500000 0.268802 0.265790 O\n0.500000 0.268777 0.602843 O\n0.000000 0.236000 0.095368 O\n0.000000 0.231180 0.433856 O\n0.000000 0.234253 0.771887 O\n0.500000 0.062622 0.729284 O\n0.000000 0.900615 0.435215 F\n0.000000 0.768521 0.231996 F\n0.000000 0.767472 0.902175 F\n0.500000 0.731969 0.066309 F\n0.500000 0.726147 0.737484 F\n0.500000 0.736890 0.396737 F\n0.000000 0.561781 0.771727 F\n0.000000 0.435670 0.232932 F\n0.000000 0.433119 0.564813 F\n0.500000 0.397941 0.067883 F\n0.500000 0.398739 0.398152 F\n0.500000 0.402986 0.731062 F\n0.500000 0.265541 0.936164 F\n0.000000 0.103177 0.230043 F\n0.000000 0.102564 0.559619 F\n0.000000 0.102836 0.902332 F\n0.500000 0.067725 0.067549 F\n0.500000 0.063564 0.396973 F\n",
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"elements": [
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"O",
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"volume": 629.4945431275158,
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"formula_full": "Fe18 O18 F18",
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{
"id": "mp-867680",
"created_at": "2022-09-04T14:41:35.714021Z",
"structure_string": "Na4 Tl4 O4\n1.0\n3.649193 0.000000 0.000000\n0.000000 6.143367 0.000000\n0.000000 0.011880 12.801773\nNa Tl O\n4 4 4\ndirect\n0.000000 0.335479 0.590314 Na\n0.000000 0.328550 0.916595 Na\n0.500000 0.166552 0.075786 Na\n0.500000 0.838117 0.911748 Na\n0.000000 0.665497 0.389827 Tl\n0.000000 0.666522 0.095575 Tl\n0.500000 0.171391 0.392813 Tl\n0.500000 0.830253 0.622944 Tl\n0.000000 0.992946 0.994242 O\n0.000000 0.003283 0.510886 O\n0.500000 0.499934 0.980914 O\n0.500000 0.501575 0.518358 O\n",
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"volume": 286.9943954186119,
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"formula_full": "Na4 Tl4 O4",
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{
"id": "mp-759283",
"created_at": "2022-09-04T14:41:35.955048Z",
"structure_string": "Fe4 O4 F4\n1.0\n3.122415 0.000000 0.000000\n0.000000 4.751127 0.000000\n0.000000 0.017443 9.437230\nFe O F\n4 4 4\ndirect\n0.000000 0.975967 0.988829 Fe\n0.000000 0.977887 0.487880 Fe\n0.500000 0.483543 0.277579 Fe\n0.500000 0.548623 0.739023 Fe\n0.500000 0.805100 0.400467 O\n0.500000 0.806096 0.905350 O\n0.000000 0.706623 0.651403 O\n0.000000 0.297912 0.350264 O\n0.000000 0.695115 0.151822 F\n0.000000 0.307311 0.848853 F\n0.500000 0.195484 0.094171 F\n0.500000 0.200341 0.604358 F\n",
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{
"id": "mp-1227754",
"created_at": "2022-09-04T14:41:37.137164Z",
"structure_string": "Ca3 Ho1 Mn4 O12\n1.0\n7.578857 0.000000 0.000000\n0.000000 5.347414 0.000000\n0.000000 0.001742 5.467629\nCa Ho Mn O\n3 1 4 12\ndirect\n0.500000 0.008859 0.049208 Ca\n0.000000 0.508920 0.455084 Ca\n0.000000 0.989953 0.952565 Ca\n0.500000 0.487057 0.560769 Ho\n0.249118 0.997960 0.499144 Mn\n0.751109 0.501782 0.003857 Mn\n0.750882 0.997960 0.499144 Mn\n0.248891 0.501782 0.003857 Mn\n0.500000 0.580793 0.972832 O\n0.500000 0.905795 0.479700 O\n0.000000 0.417781 0.023411 O\n0.000000 0.078943 0.524571 O\n0.300325 0.213613 0.784675 O\n0.701041 0.299590 0.297935 O\n0.790361 0.798788 0.203699 O\n0.215566 0.699217 0.701619 O\n0.209639 0.798788 0.203699 O\n0.784434 0.699217 0.701619 O\n0.699675 0.213613 0.784675 O\n0.298959 0.299590 0.297935 O\n",
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"elements": [
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"volume": 221.58816436594788,
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"formula_full": "Ca3 Ho1 Mn4 O12",
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{
"id": "mp-1003549",
"created_at": "2022-09-04T14:41:45.231522Z",
"structure_string": "Li1 Mn16 O32\n1.0\n5.879652 0.000000 0.000000\n0.000000 9.907570 0.000000\n0.000000 0.038440 9.958504\nLi Mn O\n1 16 32\ndirect\n0.000000 0.489122 0.421577 Li\n0.749311 0.167451 0.348110 Mn\n0.250689 0.167451 0.348110 Mn\n0.749383 0.348527 0.831093 Mn\n0.250617 0.348527 0.831093 Mn\n0.250933 0.650518 0.162988 Mn\n0.749067 0.650518 0.162988 Mn\n0.250311 0.833763 0.648685 Mn\n0.749689 0.833763 0.648685 Mn\n0.500000 0.666691 0.846286 Mn\n0.000000 0.666612 0.847020 Mn\n0.500000 0.847376 0.332180 Mn\n0.000000 0.848617 0.333100 Mn\n0.500000 0.151966 0.664492 Mn\n0.000000 0.151506 0.664545 Mn\n0.500000 0.332123 0.148878 Mn\n0.000000 0.331525 0.146089 Mn\n0.500000 0.957519 0.661264 O\n0.000000 0.957376 0.661045 O\n0.500000 0.665139 0.039743 O\n0.000000 0.664952 0.040062 O\n0.500000 0.334868 0.954241 O\n0.000000 0.334321 0.953768 O\n0.500000 0.041807 0.337798 O\n0.000000 0.042537 0.337981 O\n0.249199 0.456140 0.162381 O\n0.750801 0.456140 0.162381 O\n0.250117 0.169631 0.541733 O\n0.749883 0.169631 0.541733 O\n0.750003 0.830150 0.456225 O\n0.249997 0.830150 0.456225 O\n0.750091 0.542984 0.831987 O\n0.249909 0.542984 0.831987 O\n0.750331 0.795704 0.840980 O\n0.249669 0.795704 0.840980 O\n0.248892 0.842378 0.203605 O\n0.751108 0.842378 0.203605 O\n0.249746 0.203168 0.154910 O\n0.750254 0.203168 0.154910 O\n0.750096 0.156043 0.792994 O\n0.249904 0.156043 0.792994 O\n0.500000 0.298577 0.340867 O\n0.000000 0.303850 0.342115 O\n0.500000 0.345177 0.702111 O\n0.000000 0.345666 0.700553 O\n0.500000 0.704285 0.653632 O\n0.000000 0.702964 0.652941 O\n0.500000 0.650737 0.291291 O\n0.000000 0.647723 0.295351 O\n",
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"formula_full": "Li1 Mn16 O32",
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{
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{
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}