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{
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{
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{
"id": "mp-1028132",
"created_at": "2022-09-04T14:48:03.246234Z",
"structure_string": "Ca1 Mg14 W1\n1.0\n6.390607 -0.025215 0.000000\n-3.217140 5.572250 0.000000\n0.000000 0.000000 10.146963\nCa Mg W\n1 14 1\ndirect\n0.165972 0.332985 0.125000 Ca\n0.169230 0.334615 0.625000 Mg\n0.165184 0.832591 0.625000 Mg\n0.664132 0.328923 0.125000 Mg\n0.665775 0.336146 0.625000 Mg\n0.664132 0.835209 0.125000 Mg\n0.665775 0.829628 0.625000 Mg\n0.329071 0.150984 0.371538 Mg\n0.329071 0.150984 0.878462 Mg\n0.329071 0.678088 0.371538 Mg\n0.329071 0.678088 0.878462 Mg\n0.827032 0.163516 0.383176 Mg\n0.827032 0.163516 0.866824 Mg\n0.845154 0.672577 0.362132 Mg\n0.845154 0.672577 0.887868 Mg\n0.179146 0.839572 0.125000 W\n",
"nsites": 16,
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"elements": [
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"W"
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"density": 2.5986908593567057,
"density_atomic": 0.04438146760208907,
"volume": 360.51083626731776,
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"formula_full": "Ca1 Mg14 W1",
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{
"id": "mp-777578",
"created_at": "2022-09-04T14:46:04.836551Z",
"structure_string": "Li4 Mn4 P8 H8 O32\n1.0\n8.740567 0.000000 0.000000\n0.000000 5.221998 0.000000\n0.000000 2.200421 14.214563\nLi Mn P H O\n4 4 8 8 32\ndirect\n0.495309 0.624577 0.669331 Li\n0.004691 0.624577 0.169331 Li\n0.995309 0.375423 0.830669 Li\n0.504691 0.375423 0.330669 Li\n0.964019 0.732760 0.648535 Mn\n0.535981 0.732760 0.148535 Mn\n0.464019 0.267240 0.851465 Mn\n0.035981 0.267240 0.351465 Mn\n0.236243 0.780234 0.808297 P\n0.661531 0.734202 0.944161 P\n0.263757 0.780234 0.308297 P\n0.838469 0.734202 0.444161 P\n0.161531 0.265798 0.555839 P\n0.736243 0.219766 0.691703 P\n0.338469 0.265798 0.055839 P\n0.763757 0.219766 0.191703 P\n0.812795 0.855588 0.828875 H\n0.278124 0.712596 0.963843 H\n0.687205 0.855588 0.328875 H\n0.221876 0.712596 0.463843 H\n0.778124 0.287404 0.536157 H\n0.312795 0.144412 0.671125 H\n0.721876 0.287404 0.036157 H\n0.187205 0.144412 0.171125 H\n0.772429 0.934092 0.725052 O\n0.539981 0.918526 0.894635 O\n0.727571 0.934092 0.225052 O\n0.960019 0.918526 0.394635 O\n0.825537 0.809317 0.900506 O\n0.194196 0.734036 0.915995 O\n0.085673 0.691310 0.765117 O\n0.674463 0.809317 0.400506 O\n0.817221 0.762159 0.549090 O\n0.305804 0.734036 0.415995 O\n0.414327 0.691310 0.265117 O\n0.682779 0.762159 0.049090 O\n0.369192 0.603690 0.784006 O\n0.126859 0.548476 0.567062 O\n0.130808 0.603690 0.284006 O\n0.626859 0.451524 0.932938 O\n0.373141 0.548476 0.067062 O\n0.869192 0.396310 0.715994 O\n0.873141 0.451524 0.432938 O\n0.630808 0.396310 0.215994 O\n0.317221 0.237841 0.950910 O\n0.585673 0.308690 0.734883 O\n0.694196 0.265964 0.584005 O\n0.182779 0.237841 0.450910 O\n0.325537 0.190683 0.599494 O\n0.914327 0.308690 0.234883 O\n0.805804 0.265964 0.084005 O\n0.174463 0.190683 0.099494 O\n0.039981 0.081474 0.605365 O\n0.272429 0.065908 0.774948 O\n0.460019 0.081474 0.105365 O\n0.227571 0.065908 0.274948 O\n",
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"formula_full": "Li4 Mn4 P8 H8 O32",
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{
"id": "mp-5131",
"created_at": "2022-09-04T14:40:20.065451Z",
"structure_string": "K4 Co2 S4\n1.0\n-2.970406 3.408317 6.351249\n2.970406 -3.408317 6.351249\n2.970406 3.408317 -6.351249\nK Co S\n4 2 4\ndirect\n0.186968 0.353721 0.833247 K\n0.813032 0.646279 0.166753 K\n0.520474 0.853721 0.666753 K\n0.479526 0.146279 0.333247 K\n0.000000 0.750000 0.750000 Co\n0.000000 0.250000 0.250000 Co\n0.719716 0.401081 0.318635 S\n0.280284 0.598919 0.681365 S\n0.917554 0.098919 0.818635 S\n0.082446 0.901081 0.181365 S\n",
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"volume": 257.20234570422326,
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"formula_full": "K4 Co2 S4",
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{
"id": "mp-1208401",
"created_at": "2022-09-04T14:45:14.967265Z",
"structure_string": "Te4 C48 Br8 F40\n1.0\n15.901589 0.000000 0.000000\n0.000000 6.975068 0.000000\n0.000000 0.039691 14.322310\nTe C Br F\n4 48 8 40\ndirect\n0.057824 0.715616 0.920496 Te\n0.942176 0.284384 0.079504 Te\n0.557824 0.284384 0.579504 Te\n0.442176 0.715616 0.420496 Te\n0.445827 0.582349 0.815884 C\n0.554173 0.417651 0.184116 C\n0.945827 0.417651 0.684116 C\n0.054173 0.582349 0.315884 C\n0.009927 0.386072 0.619578 C\n0.990073 0.613928 0.380422 C\n0.509927 0.613928 0.880422 C\n0.490073 0.386072 0.119578 C\n0.463764 0.481561 0.734280 C\n0.536236 0.518439 0.265720 C\n0.963764 0.518439 0.765720 C\n0.036236 0.481561 0.234280 C\n0.763984 0.916892 0.689669 C\n0.236016 0.083108 0.310331 C\n0.263984 0.083108 0.810331 C\n0.736016 0.916892 0.189669 C\n0.821140 0.916507 0.615478 C\n0.178860 0.083493 0.384522 C\n0.321140 0.083493 0.884522 C\n0.678860 0.916507 0.115478 C\n0.108184 0.552172 0.719836 C\n0.891816 0.447828 0.280164 C\n0.608184 0.447828 0.780164 C\n0.391816 0.552172 0.219836 C\n0.091406 0.453333 0.637182 C\n0.908594 0.546667 0.362818 C\n0.591406 0.546667 0.862818 C\n0.408594 0.453333 0.137182 C\n0.227580 0.882545 0.974012 C\n0.772420 0.117455 0.025988 C\n0.727580 0.117455 0.525988 C\n0.272420 0.882545 0.474012 C\n0.189397 0.979776 0.818223 C\n0.810603 0.020224 0.181777 C\n0.689397 0.020224 0.681777 C\n0.310603 0.979776 0.318223 C\n0.170732 0.876498 0.899436 C\n0.829268 0.123502 0.100564 C\n0.670732 0.123502 0.600564 C\n0.329268 0.876498 0.399436 C\n0.044080 0.589317 0.784052 C\n0.955920 0.410683 0.215948 C\n0.544080 0.410683 0.715948 C\n0.455920 0.589317 0.284052 C\n0.303047 0.983613 0.966865 C\n0.696953 0.016387 0.033135 C\n0.803047 0.016387 0.533135 C\n0.196953 0.983613 0.466865 C\n0.150626 0.400917 0.955838 Br\n0.849374 0.599083 0.044162 Br\n0.650626 0.599083 0.544162 Br\n0.349374 0.400917 0.455838 Br\n0.465380 0.980463 0.635361 Br\n0.534620 0.019537 0.364639 Br\n0.965380 0.019537 0.864639 Br\n0.034620 0.980463 0.135361 Br\n0.188252 0.606401 0.735659 F\n0.811748 0.393599 0.264341 F\n0.688252 0.393599 0.764341 F\n0.311748 0.606401 0.235659 F\n0.136209 0.983185 0.744931 F\n0.863791 0.016815 0.255069 F\n0.636209 0.016815 0.755069 F\n0.363791 0.983185 0.244931 F\n0.780539 0.815789 0.767567 F\n0.219461 0.184211 0.232433 F\n0.280539 0.184211 0.732433 F\n0.719461 0.815789 0.267567 F\n0.142290 0.984850 0.538336 F\n0.857710 0.015150 0.461664 F\n0.642290 0.015150 0.961664 F\n0.357710 0.984850 0.038336 F\n0.152791 0.423266 0.574391 F\n0.847209 0.576734 0.425609 F\n0.652791 0.576734 0.925609 F\n0.347209 0.423266 0.074391 F\n0.493034 0.708411 0.959853 F\n0.506966 0.291589 0.040147 F\n0.993034 0.291589 0.540147 F\n0.006966 0.708411 0.459853 F\n0.893528 0.818537 0.622828 F\n0.106472 0.181463 0.377172 F\n0.393528 0.181463 0.877172 F\n0.606472 0.818537 0.122828 F\n0.401613 0.457372 0.671147 F\n0.598387 0.542628 0.328853 F\n0.901613 0.542628 0.828853 F\n0.098387 0.457372 0.171147 F\n0.367613 0.647263 0.832449 F\n0.632387 0.352737 0.167551 F\n0.867613 0.352737 0.667551 F\n0.132387 0.647263 0.332449 F\n0.289198 0.790504 0.554752 F\n0.710802 0.209496 0.445248 F\n0.789198 0.209496 0.945248 F\n0.210802 0.790504 0.054752 F\n",
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"formula_full": "Te4 C48 Br8 F40",
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{
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{
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}