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{
"id": "mp-1175334",
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"structure_string": "Li7 Mn5 O12\n1.0\n5.291532 -0.044034 -2.818456\n0.628596 6.127269 -2.121212\n5.114385 0.014176 4.024614\nLi Mn O\n7 5 12\ndirect\n0.499991 0.333370 0.333349 Li\n0.258147 0.652166 0.172402 Li\n0.741911 0.014485 0.494317 Li\n0.237900 0.330282 0.840457 Li\n0.762113 0.336434 0.826220 Li\n0.745944 0.664741 0.164316 Li\n0.254092 0.001889 0.502327 Li\n0.986574 0.002038 0.009252 Mn\n0.013267 0.664622 0.657462 Mn\n0.999997 0.333333 0.333327 Mn\n0.498176 0.002756 0.004978 Mn\n0.501788 0.663997 0.661674 Mn\n0.375184 0.988053 0.765134 O\n0.624756 0.678631 0.901558 O\n0.887932 0.316573 0.090813 O\n0.112109 0.350044 0.575856 O\n0.367339 0.670456 0.436930 O\n0.632718 0.996227 0.229674 O\n0.891881 0.987233 0.755493 O\n0.108097 0.679371 0.911164 O\n0.342171 0.317051 0.102711 O\n0.657882 0.349572 0.563937 O\n0.903080 0.648280 0.413290 O\n0.096950 0.018395 0.253359 O\n",
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{
"id": "mp-1247342",
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"structure_string": "Li24 V8 N16\n1.0\n8.342453 0.000000 0.000000\n5.561636 7.865340 0.000000\n-5.561636 3.932670 6.811585\nLi V N\n24 8 16\ndirect\n0.221149 0.042497 0.988852 Li\n0.778851 0.763646 0.511148 Li\n0.778851 0.457503 0.767703 Li\n0.221149 0.736354 0.732297 Li\n0.243445 0.767703 0.274794 Li\n0.756555 0.732297 0.031349 Li\n0.243445 0.988852 0.468651 Li\n0.756555 0.511148 0.225206 Li\n0.693857 0.031349 0.736354 Li\n0.693857 0.274794 0.457503 Li\n0.306143 0.225206 0.763646 Li\n0.306143 0.468651 0.042497 Li\n0.778851 0.957503 0.011148 Li\n0.221149 0.236354 0.488852 Li\n0.221149 0.542497 0.232297 Li\n0.778851 0.263646 0.267703 Li\n0.756555 0.232297 0.725206 Li\n0.243445 0.267703 0.968651 Li\n0.756555 0.011148 0.531349 Li\n0.243445 0.488852 0.774794 Li\n0.306143 0.968651 0.263646 Li\n0.306143 0.725206 0.542497 Li\n0.693857 0.774794 0.236354 Li\n0.693857 0.531349 0.957503 Li\n0.230310 0.000000 0.730310 V\n0.769690 0.730310 0.769690 V\n0.769690 0.500000 0.500000 V\n0.230310 0.769690 0.000000 V\n0.769690 0.000000 0.269690 V\n0.230310 0.269690 0.230310 V\n0.230310 0.500000 0.500000 V\n0.769690 0.230310 0.000000 V\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.970792 0.750000 N\n0.500000 0.529208 0.250000 N\n0.000000 0.250000 0.720792 N\n0.000000 0.750000 0.779208 N\n0.558417 0.720792 0.529208 N\n0.441583 0.779208 0.970792 N\n0.500000 0.029208 0.250000 N\n0.500000 0.470792 0.750000 N\n0.000000 0.750000 0.279208 N\n0.000000 0.250000 0.220792 N\n0.441583 0.279208 0.470792 N\n0.558417 0.220792 0.029208 N\n",
"nsites": 48,
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"elements": [
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"V",
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"density_atomic": 0.10739443745500918,
"volume": 446.95052311353345,
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"formula_full": "Li24 V8 N16",
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"updated_at": "2021-11-28T01:38:08.548000Z",
"spacegroup": 206
},
{
"id": "mp-19011",
"created_at": "2022-09-04T14:47:23.038939Z",
"structure_string": "Ba4 Ni2 Te2 O12\n1.0\n-3.069365 5.016014 0.000002\n-5.633380 0.000003 1.687246\n2.561659 5.014571 8.552811\nBa Ni Te O\n4 2 2 12\ndirect\n0.568848 0.715576 0.146728 Ba\n0.431153 0.284423 0.853271 Ba\n0.252092 0.873954 0.621862 Ba\n0.747907 0.126047 0.378138 Ba\n0.187123 0.406437 0.219314 Ni\n0.812876 0.593563 0.780692 Ni\n0.999998 0.500001 0.500003 Te\n0.000003 0.999999 0.999997 Te\n0.077467 0.727397 0.117668 O\n0.609728 0.195136 0.117668 O\n0.077467 0.195135 0.117668 O\n0.922538 0.804871 0.882333 O\n0.922538 0.272592 0.882333 O\n0.390261 0.804870 0.882333 O\n0.765560 0.845890 0.622991 O\n0.222900 0.388550 0.622991 O\n0.777109 0.611445 0.377006 O\n0.234435 0.154120 0.377007 O\n0.234435 0.611444 0.377007 O\n0.765561 0.388550 0.622991 O\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.06912596107691184,
"volume": 289.3268995963374,
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"formula_full": "Ba4 Ni2 Te2 O12",
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"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:38:03.629000Z",
"spacegroup": 166
},
{
"id": "mp-673116",
"created_at": "2022-09-04T14:47:22.912834Z",
"structure_string": "Bi5 P6 O24\n1.0\n8.936462 0.000000 0.000000\n-2.882498 8.465620 0.000000\n-3.091904 -4.094576 7.350044\nBi P O\n5 6 24\ndirect\n0.496803 0.519806 0.157822 Bi\n0.828213 0.301529 0.829753 Bi\n0.029181 0.671938 0.499663 Bi\n0.476082 0.492768 0.653857 Bi\n0.164874 0.999430 0.003878 Bi\n0.134505 0.390579 0.253040 P\n0.748745 0.854034 0.623767 P\n0.871137 0.745604 0.119563 P\n0.377027 0.129691 0.758465 P\n0.239762 0.618520 0.881656 P\n0.623443 0.259175 0.379362 P\n0.063024 0.434370 0.758584 O\n0.277314 0.367185 0.193297 O\n0.350783 0.270773 0.705246 O\n0.383480 0.629678 0.819689 O\n0.160592 0.584159 0.324004 O\n0.660694 0.426285 0.349331 O\n0.846868 0.913478 0.151382 O\n0.926768 0.835876 0.665790 O\n0.944726 0.255152 0.080070 O\n0.728286 0.576307 0.930586 O\n0.853703 0.680411 0.258144 O\n0.672523 0.800091 0.738996 O\n0.651952 0.324807 0.577261 O\n0.065911 0.819839 0.144662 O\n0.810579 0.054436 0.670697 O\n0.427555 0.098521 0.246753 O\n0.345514 0.162076 0.926000 O\n0.189911 0.767008 0.856706 O\n0.602720 0.737032 0.421025 O\n0.239188 0.937334 0.596623 O\n0.753649 0.187464 0.355251 O\n0.165593 0.340743 0.407375 O\n0.571218 0.155853 0.820329 O\n0.325260 0.658244 0.080283 O\n",
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"elements": [
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"density": 4.822083602930604,
"density_atomic": 0.06294391071909684,
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"formula_full": "Bi5 P6 O24",
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"spacegroup": 1
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{
"id": "mp-1181341",
"created_at": "2022-09-04T14:47:22.957925Z",
"structure_string": "H16 S4 N4 O16\n1.0\n6.140511 0.000000 -0.572092\n0.000000 8.476608 0.000000\n-0.046397 0.000000 7.903893\nH S N O\n16 4 4 16\ndirect\n0.289644 0.367144 0.482236 H\n0.789644 0.132856 0.982236 H\n0.710356 0.632856 0.517764 H\n0.210356 0.867144 0.017764 H\n0.116958 0.415474 0.309257 H\n0.616958 0.084526 0.809257 H\n0.883042 0.584526 0.690743 H\n0.383042 0.915474 0.190743 H\n0.319310 0.283023 0.293263 H\n0.819310 0.216977 0.793263 H\n0.680690 0.716977 0.706737 H\n0.180690 0.783023 0.206737 H\n0.378075 0.475583 0.323486 H\n0.878075 0.024417 0.823486 H\n0.621925 0.524417 0.676514 H\n0.121925 0.975583 0.176514 H\n0.290889 0.360351 0.856339 S\n0.790889 0.139649 0.356339 S\n0.709111 0.639649 0.143661 S\n0.209111 0.860351 0.643661 S\n0.274822 0.384814 0.351814 N\n0.774822 0.115186 0.851814 N\n0.725178 0.615186 0.648186 N\n0.225178 0.884814 0.148186 N\n0.326466 0.222302 0.963454 O\n0.826466 0.277698 0.463454 O\n0.673534 0.777698 0.036546 O\n0.173534 0.722302 0.536546 O\n0.421870 0.362372 0.710400 O\n0.921870 0.137628 0.210400 O\n0.578130 0.637628 0.289600 O\n0.078130 0.862372 0.789600 O\n0.065672 0.409374 0.817606 O\n0.565672 0.090626 0.317606 O\n0.934328 0.590626 0.182394 O\n0.434328 0.909374 0.682394 O\n0.379829 0.515291 0.974352 O\n0.879829 0.984709 0.474352 O\n0.620171 0.484709 0.025648 O\n0.120171 0.015291 0.525648 O\n",
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"formula_full": "H16 S4 N4 O16",
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{
"id": "mp-1189490",
"created_at": "2022-09-04T14:47:26.332611Z",
"structure_string": "U4 Ge6 Os7\n1.0\n-4.170730 4.170730 4.170730\n4.170730 -4.170730 4.170730\n4.170730 4.170730 -4.170730\nU Ge Os\n4 6 7\ndirect\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.692180 0.692180 0.000000 Ge\n0.307820 0.000000 0.307820 Ge\n0.000000 0.307820 0.307820 Ge\n0.307820 0.307820 0.000000 Ge\n0.692180 0.000000 0.692180 Ge\n0.000000 0.692180 0.692180 Ge\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.500000 0.750000 0.250000 Os\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "mp-754563",
"created_at": "2022-09-04T14:47:26.339163Z",
"structure_string": "Li4 Ti2 Mn3 Cu3 O16\n1.0\n5.824568 0.000000 0.000000\n-2.876946 5.093017 0.000000\n-0.070859 -0.152234 9.493548\nLi Ti Mn Cu O\n4 2 3 3 16\ndirect\n0.672973 0.338843 0.103164 Li\n0.000066 0.998982 0.003108 Li\n0.000203 0.000565 0.506905 Li\n0.333450 0.670467 0.605683 Li\n0.659568 0.319114 0.509138 Ti\n0.333549 0.659187 0.999648 Ti\n0.827360 0.655611 0.783954 Mn\n0.660273 0.829783 0.285125 Mn\n0.167677 0.828467 0.285103 Mn\n0.828551 0.167682 0.785436 Cu\n0.338817 0.168246 0.786044 Cu\n0.174207 0.339833 0.284784 Cu\n0.811554 0.146719 0.409742 O\n0.517240 0.042331 0.649810 O\n0.671431 0.340332 0.891450 O\n0.993860 0.989457 0.694927 O\n0.993942 0.993514 0.192997 O\n0.327438 0.156869 0.405610 O\n0.962728 0.495048 0.656200 O\n0.528607 0.494776 0.657628 O\n0.168976 0.334857 0.914889 O\n0.836641 0.670575 0.395805 O\n0.506678 0.544934 0.155225 O\n0.044914 0.532450 0.160687 O\n0.339994 0.674919 0.390589 O\n0.663761 0.819292 0.903213 O\n0.481199 0.969364 0.170069 O\n0.154640 0.817782 0.905230 O\n",
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"formula_full": "Li4 Ti2 Mn3 Cu3 O16",
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{
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"structure_string": "Th2 Al20 Fe4\n1.0\n4.481381 -5.120116 0.000000\n4.481381 5.120116 0.000000\n0.000000 0.000000 9.019587\nTh Al Fe\n2 20 4\ndirect\n0.875013 0.124987 0.750000 Th\n0.124987 0.875013 0.250000 Th\n0.518504 0.777485 0.750000 Al\n0.481496 0.222515 0.250000 Al\n0.589543 0.865263 0.250000 Al\n0.771008 0.771008 0.000000 Al\n0.160718 0.839282 0.598848 Al\n0.228992 0.228992 0.000000 Al\n0.134737 0.410457 0.250000 Al\n0.623498 0.376502 0.950247 Al\n0.839282 0.160718 0.098848 Al\n0.376502 0.623498 0.450247 Al\n0.160718 0.839282 0.901152 Al\n0.222515 0.481496 0.750000 Al\n0.376502 0.623498 0.049753 Al\n0.839282 0.160718 0.401152 Al\n0.623498 0.376502 0.549753 Al\n0.410457 0.134737 0.750000 Al\n0.777485 0.518504 0.250000 Al\n0.771008 0.771008 0.500000 Al\n0.228992 0.228992 0.500000 Al\n0.865263 0.589543 0.750000 Al\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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{
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{
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