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{
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{
"id": "mp-1065668",
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{
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"formula_full": "Li4 V4 P4 O20",
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{
"id": "mp-778497",
"created_at": "2022-09-04T14:45:10.006652Z",
"structure_string": "Na12 Bi4 P2 C8 O32\n1.0\n0.000000 7.311809 7.311809\n7.311809 0.000000 7.311809\n7.311809 7.311809 0.000000\nNa Bi P C O\n12 4 2 8 32\ndirect\n0.054801 0.445199 0.445199 Na\n0.054801 0.054801 0.445199 Na\n0.445199 0.054801 0.445199 Na\n0.054801 0.445199 0.054801 Na\n0.804801 0.195199 0.195199 Na\n0.804801 0.804801 0.195199 Na\n0.445199 0.445199 0.054801 Na\n0.445199 0.054801 0.054801 Na\n0.804801 0.195199 0.804801 Na\n0.195199 0.804801 0.195199 Na\n0.195199 0.804801 0.804801 Na\n0.195199 0.195199 0.804801 Na\n0.125000 0.625000 0.625000 Bi\n0.625000 0.625000 0.625000 Bi\n0.625000 0.125000 0.625000 Bi\n0.625000 0.625000 0.125000 Bi\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 P\n0.852367 0.852367 0.442898 C\n0.852367 0.852367 0.852367 C\n0.852367 0.442898 0.852367 C\n0.442898 0.852367 0.852367 C\n0.807102 0.397633 0.397633 C\n0.397633 0.397633 0.397633 C\n0.397633 0.807102 0.397633 C\n0.397633 0.397633 0.807102 C\n0.061638 0.061638 0.815085 O\n0.061638 0.061638 0.061638 O\n0.061638 0.815085 0.061638 O\n0.815085 0.061638 0.061638 O\n0.981323 0.729189 0.444136 O\n0.845351 0.981323 0.444136 O\n0.981323 0.845351 0.729189 O\n0.729189 0.845351 0.444136 O\n0.981323 0.444136 0.845351 O\n0.845351 0.444136 0.729189 O\n0.729189 0.981323 0.845351 O\n0.845351 0.729189 0.981323 O\n0.444136 0.981323 0.729189 O\n0.729189 0.444136 0.981323 O\n0.444136 0.729189 0.845351 O\n0.805864 0.404649 0.268677 O\n0.444136 0.845351 0.981323 O\n0.805864 0.520811 0.404649 O\n0.520811 0.805864 0.268677 O\n0.805864 0.268677 0.520811 O\n0.404649 0.520811 0.268677 O\n0.520811 0.268677 0.404649 O\n0.404649 0.805864 0.520811 O\n0.268677 0.805864 0.404649 O\n0.520811 0.404649 0.805864 O\n0.268677 0.404649 0.520811 O\n0.404649 0.268677 0.805864 O\n0.268677 0.520811 0.805864 O\n0.434915 0.188362 0.188362 O\n0.188362 0.434915 0.188362 O\n0.188362 0.188362 0.188362 O\n0.188362 0.188362 0.434915 O\n",
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"elements": [
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"formula_full": "Na12 Bi4 P2 C8 O32",
"formula_reduced": "Na6Bi2P(CO4)4",
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"spacegroup": 203
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{
"id": "mp-6820",
"created_at": "2022-09-04T14:45:10.008276Z",
"structure_string": "Cu4 Hg4 S2 F12\n1.0\n0.000000 5.453693 5.453693\n5.453693 0.000000 5.453693\n5.453693 5.453693 0.000000\nCu Hg S F\n4 4 2 12\ndirect\n0.125000 0.125000 0.125000 Cu\n0.625000 0.125000 0.125000 Cu\n0.125000 0.125000 0.625000 Cu\n0.125000 0.625000 0.125000 Cu\n0.625000 0.625000 0.625000 Hg\n0.125000 0.625000 0.625000 Hg\n0.625000 0.625000 0.125000 Hg\n0.625000 0.125000 0.625000 Hg\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.443149 0.443149 0.056851 F\n0.443149 0.056851 0.443149 F\n0.806851 0.806851 0.193149 F\n0.056851 0.056851 0.443149 F\n0.193149 0.806851 0.193149 F\n0.193149 0.806851 0.806851 F\n0.056851 0.443149 0.056851 F\n0.806851 0.193149 0.806851 F\n0.193149 0.193149 0.806851 F\n0.443149 0.056851 0.056851 F\n0.056851 0.443149 0.443149 F\n0.806851 0.193149 0.193149 F\n",
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"formula_full": "Cu4 Hg4 S2 F12",
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{
"id": "mp-753448",
"created_at": "2022-09-04T14:45:10.009724Z",
"structure_string": "Li4 Ni6 O2 F12\n1.0\n6.059042 0.000000 0.000000\n1.264719 6.382576 0.000000\n2.838775 2.639888 6.863957\nLi Ni O F\n4 6 2 12\ndirect\n0.319420 0.845033 0.471461 Li\n0.119966 0.310139 0.062596 Li\n0.880034 0.689861 0.937404 Li\n0.680580 0.154967 0.528539 Li\n0.782340 0.571600 0.655718 Ni\n0.925581 0.837859 0.220530 Ni\n0.353784 0.726298 0.930607 Ni\n0.646216 0.273702 0.069393 Ni\n0.074419 0.162141 0.779470 Ni\n0.217660 0.428400 0.344282 Ni\n0.929015 0.416994 0.864747 O\n0.070985 0.583006 0.135253 O\n0.090954 0.706958 0.434151 F\n0.468514 0.436371 0.865652 F\n0.633344 0.711877 0.442923 F\n0.777846 0.986283 0.001239 F\n0.177257 0.867864 0.728183 F\n0.335721 0.150191 0.270084 F\n0.664279 0.849809 0.729916 F\n0.822743 0.132136 0.271817 F\n0.222154 0.013717 0.998761 F\n0.366656 0.288123 0.557077 F\n0.531486 0.563629 0.134348 F\n0.909046 0.293042 0.565849 F\n",
"nsites": 24,
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"formula_full": "Li4 Ni6 O2 F12",
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"spacegroup": 2
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{
"id": "mp-1023013",
"created_at": "2022-09-04T14:45:10.015572Z",
"structure_string": "Rb2 Mg12 Mn2\n1.0\n5.252797 0.000000 0.000000\n0.000000 6.914514 0.000000\n0.000000 0.000000 11.571049\nRb Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.835696 Rb\n0.500000 0.000000 0.335696 Rb\n0.500000 0.245715 0.081396 Mg\n0.500000 0.754285 0.081396 Mg\n0.000000 0.217397 0.918664 Mg\n0.000000 0.782603 0.918664 Mg\n0.000000 0.500000 0.170921 Mg\n0.000000 0.500000 0.650606 Mg\n0.500000 0.745715 0.581396 Mg\n0.500000 0.254285 0.581396 Mg\n0.000000 0.717397 0.418664 Mg\n0.000000 0.282603 0.418664 Mg\n0.000000 0.000000 0.670921 Mg\n0.000000 0.000000 0.150606 Mg\n0.500000 0.500000 0.342663 Mn\n0.500000 0.000000 0.842663 Mn\n",
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"formula_full": "Rb2 Mg12 Mn2",
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{
"id": "mp-1389",
"created_at": "2022-09-04T14:45:10.020984Z",
"structure_string": "Pu6 Al18\n1.0\n2.994364 -5.186391 0.000000\n2.994364 5.186391 0.000000\n0.000000 0.000000 14.440571\nPu Al\n6 18\ndirect\n0.000000 0.000000 0.250000 Pu\n0.000000 0.000000 0.750000 Pu\n0.333333 0.666667 0.085294 Pu\n0.666667 0.333333 0.585294 Pu\n0.666667 0.333333 0.914706 Pu\n0.333333 0.666667 0.414706 Pu\n0.507549 0.015097 0.250000 Al\n0.492451 0.507549 0.750000 Al\n0.015097 0.507549 0.750000 Al\n0.984903 0.492451 0.250000 Al\n0.507549 0.492451 0.250000 Al\n0.492451 0.984903 0.750000 Al\n0.168614 0.337228 0.582550 Al\n0.831386 0.168614 0.082550 Al\n0.337228 0.168614 0.082550 Al\n0.662772 0.831386 0.582550 Al\n0.168614 0.831386 0.582550 Al\n0.831386 0.662772 0.417450 Al\n0.831386 0.168614 0.417450 Al\n0.831386 0.662772 0.082550 Al\n0.337228 0.168614 0.417450 Al\n0.662772 0.831386 0.917450 Al\n0.168614 0.337228 0.917450 Al\n0.168614 0.831386 0.917450 Al\n",
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"formula_full": "Pu6 Al18",
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{
"id": "mp-1351934",
"created_at": "2022-09-04T14:45:10.040802Z",
"structure_string": "Li8 Mn15 Cr1 O32\n1.0\n8.280596 0.000000 0.000000\n-0.079618 8.480141 0.000000\n-4.069126 -4.255071 8.505891\nLi Mn Cr O\n8 15 1 32\ndirect\n0.938044 0.181758 0.877251 Li\n0.437719 0.679502 0.877468 Li\n0.813123 0.068126 0.622656 Li\n0.316821 0.570589 0.618700 Li\n0.680206 0.425798 0.386261 Li\n0.183281 0.929768 0.380205 Li\n0.563165 0.318565 0.122697 Li\n0.064420 0.821413 0.116700 Li\n0.753019 0.749549 0.000544 Mn\n0.998924 0.501867 0.001944 Mn\n0.251082 0.253071 0.997062 Mn\n0.128138 0.871269 0.740596 Mn\n0.627039 0.373817 0.747568 Mn\n0.879944 0.627855 0.744704 Mn\n0.376696 0.125421 0.749436 Mn\n0.248270 0.247880 0.502753 Mn\n0.997789 0.500774 0.497885 Mn\n0.750689 0.747020 0.497076 Mn\n0.497858 0.995512 0.502574 Mn\n0.622146 0.874809 0.252615 Mn\n0.118613 0.370134 0.257408 Mn\n0.371793 0.627458 0.254857 Mn\n0.871409 0.126650 0.257383 Mn\n0.501072 0.001167 0.000644 Cr\n0.269121 0.028753 0.978377 O\n0.498514 0.251734 0.979623 O\n0.768130 0.519233 0.001041 O\n0.004986 0.754501 0.972463 O\n0.612833 0.136143 0.764973 O\n0.401421 0.376394 0.744832 O\n0.111095 0.640817 0.749282 O\n0.895130 0.861596 0.743150 O\n0.140647 0.108876 0.732384 O\n0.370620 0.879999 0.728315 O\n0.648359 0.612541 0.734051 O\n0.877697 0.397390 0.727951 O\n0.261516 0.987380 0.513466 O\n0.756525 0.482597 0.519908 O\n0.478675 0.217930 0.516968 O\n0.983732 0.728549 0.489020 O\n0.019048 0.275259 0.486761 O\n0.521667 0.776371 0.483030 O\n0.238686 0.515254 0.480158 O\n0.739323 0.008932 0.483569 O\n0.852929 0.890535 0.260339 O\n0.352283 0.387208 0.267511 O\n0.628224 0.103159 0.266285 O\n0.127494 0.600776 0.263704 O\n0.600350 0.642887 0.261755 O\n0.392981 0.865720 0.239638 O\n0.888552 0.355228 0.255275 O\n0.102360 0.141717 0.259865 O\n0.999011 0.248823 0.026377 O\n0.730930 0.972471 0.024739 O\n0.501029 0.748076 0.024899 O\n0.223855 0.473706 0.027069 O\n",
"nsites": 56,
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"elements": [
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"formula_full": "Li8 Mn15 Cr1 O32",
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"spacegroup": 1
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{
"id": "mp-27179",
"created_at": "2022-09-04T14:45:10.048348Z",
"structure_string": "Cs2 Cr2 Br6\n1.0\n3.879954 -6.720277 0.000000\n3.879954 6.720277 0.000000\n0.000000 0.000000 6.492639\nCs Cr Br\n2 2 6\ndirect\n0.666667 0.333333 0.255874 Cs\n0.333333 0.666667 0.755874 Cs\n0.000000 0.000000 0.513926 Cr\n0.000000 0.000000 0.013926 Cr\n0.684911 0.842455 0.263367 Br\n0.842455 0.157545 0.763367 Br\n0.157545 0.842455 0.263367 Br\n0.315089 0.157545 0.763367 Br\n0.842455 0.684911 0.763367 Br\n0.157545 0.315089 0.263367 Br\n",
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