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{
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"results": [
{
"id": "mp-1232258",
"created_at": "2022-09-04T14:40:32.093065Z",
"structure_string": "Lu4 Mg2 Se8\n1.0\n-4.260125 4.260125 4.392400\n4.260125 -4.260125 4.392400\n4.260125 4.260125 -4.392400\nLu Mg Se\n4 2 8\ndirect\n0.875000 0.756885 0.381885 Lu\n0.506885 0.125000 0.881885 Lu\n0.375000 0.493115 0.618115 Lu\n0.243115 0.625000 0.118115 Lu\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.508841 0.379508 0.259828 Se\n0.750987 0.491159 0.870668 Se\n0.119680 0.249013 0.740172 Se\n0.620492 0.880320 0.129332 Se\n0.241159 0.000987 0.370668 Se\n0.999013 0.369680 0.240172 Se\n0.630320 0.870492 0.629332 Se\n0.129508 0.758841 0.759828 Se\n",
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{
"id": "mp-639826",
"created_at": "2022-09-04T14:40:32.048390Z",
"structure_string": "C16 Se8 N16\n1.0\n6.915036 0.000000 0.000000\n0.000000 8.339604 0.000000\n0.000000 0.000000 13.770605\nC Se N\n16 8 16\ndirect\n0.727217 0.692979 0.362899 C\n0.408699 0.107433 0.888207 C\n0.227217 0.307021 0.137101 C\n0.272783 0.307021 0.637101 C\n0.727217 0.192979 0.137101 C\n0.591301 0.392567 0.388207 C\n0.908699 0.392567 0.888207 C\n0.091301 0.607433 0.111793 C\n0.408699 0.607433 0.611793 C\n0.091301 0.107433 0.388207 C\n0.908699 0.892567 0.611793 C\n0.772783 0.192979 0.637101 C\n0.227217 0.807021 0.362899 C\n0.591301 0.892567 0.111793 C\n0.772783 0.692979 0.862899 C\n0.272783 0.807021 0.862899 C\n0.334669 0.512850 0.127647 Se\n0.665331 0.487150 0.872353 Se\n0.165331 0.012850 0.872353 Se\n0.334669 0.012850 0.372353 Se\n0.665331 0.987150 0.627647 Se\n0.834669 0.987150 0.127647 Se\n0.165331 0.512850 0.627647 Se\n0.834669 0.487150 0.372353 Se\n0.164323 0.177188 0.139916 N\n0.335677 0.177188 0.639916 N\n0.164323 0.677188 0.360084 N\n0.835677 0.822812 0.860084 N\n0.947342 0.178431 0.400318 N\n0.052658 0.821569 0.599682 N\n0.552658 0.178431 0.900318 N\n0.835677 0.322812 0.639916 N\n0.552658 0.678431 0.599682 N\n0.664323 0.822812 0.360084 N\n0.052658 0.321569 0.900318 N\n0.447342 0.821569 0.099682 N\n0.664323 0.322812 0.139916 N\n0.335677 0.677188 0.860084 N\n0.447342 0.321569 0.400318 N\n0.947342 0.678431 0.099682 N\n",
"nsites": 40,
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"elements": [
"C",
"Se",
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],
"chemical_system": "C-N-Se",
"density": 2.1912919595018296,
"density_atomic": 0.050369436920154796,
"volume": 794.1323637071357,
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"formula_full": "C16 Se8 N16",
"formula_reduced": "C2SeN2",
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"energy": -290.98246734,
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"updated_at": "2021-11-28T01:34:51.870000Z",
"spacegroup": 61
},
{
"id": "mp-1102332",
"created_at": "2022-09-04T14:40:28.284920Z",
"structure_string": "Hg4 F8\n1.0\n3.773280 0.000000 0.000000\n0.000000 5.960690 0.000000\n0.000000 0.000000 7.299362\nHg F\n4 8\ndirect\n0.250000 0.758362 0.893110 Hg\n0.250000 0.258362 0.606890 Hg\n0.750000 0.241638 0.106890 Hg\n0.750000 0.741638 0.393110 Hg\n0.250000 0.359441 0.919704 F\n0.250000 0.859441 0.580296 F\n0.750000 0.640559 0.080296 F\n0.750000 0.140559 0.419704 F\n0.250000 0.986769 0.163757 F\n0.250000 0.486769 0.336243 F\n0.750000 0.013231 0.836243 F\n0.750000 0.513231 0.663757 F\n",
"nsites": 12,
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"elements": [
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"F"
],
"chemical_system": "F-Hg",
"density": 9.6528385169804,
"density_atomic": 0.07309383931997805,
"volume": 164.17252276855228,
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"formula_full": "Hg4 F8",
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},
{
"id": "mp-1197940",
"created_at": "2022-09-04T14:40:27.565183Z",
"structure_string": "Cs12 Pu4 H16 O28\n1.0\n6.960557 0.000000 -0.093363\n0.000000 12.053097 0.000000\n0.069003 0.000000 12.552253\nCs Pu H O\n12 4 16 28\ndirect\n0.794912 0.120473 0.550945 Cs\n0.294912 0.379527 0.050945 Cs\n0.205088 0.879527 0.449055 Cs\n0.705088 0.620473 0.949055 Cs\n0.773672 0.278963 0.254710 Cs\n0.273672 0.221037 0.754710 Cs\n0.226328 0.721037 0.745290 Cs\n0.726328 0.778963 0.245290 Cs\n0.823203 0.962865 0.865271 Cs\n0.323203 0.537135 0.365271 Cs\n0.176797 0.037135 0.134729 Cs\n0.676797 0.462865 0.634729 Cs\n0.789231 0.293730 0.906886 Pu\n0.289231 0.206270 0.406886 Pu\n0.210769 0.706270 0.093114 Pu\n0.710769 0.793730 0.593114 Pu\n0.047649 0.470020 0.865139 H\n0.547649 0.029980 0.365139 H\n0.952351 0.529980 0.134861 H\n0.452351 0.970020 0.634861 H\n0.496055 0.128720 0.950796 H\n0.996055 0.371280 0.450796 H\n0.503945 0.871280 0.049204 H\n0.003945 0.628720 0.549204 H\n0.121247 0.454673 0.704404 H\n0.621247 0.045327 0.204404 H\n0.878753 0.545327 0.295596 H\n0.378753 0.954673 0.795596 H\n0.152968 0.420101 0.582632 H\n0.652968 0.079899 0.082632 H\n0.847032 0.579899 0.417368 H\n0.347032 0.920101 0.917368 H\n0.767896 0.207595 0.779618 O\n0.267896 0.292405 0.279618 O\n0.232104 0.792405 0.220382 O\n0.732104 0.707595 0.720382 O\n0.576050 0.381676 0.861342 O\n0.076050 0.118324 0.361342 O\n0.423950 0.618324 0.138658 O\n0.923950 0.881676 0.638658 O\n0.810651 0.383133 0.032079 O\n0.310651 0.116867 0.532079 O\n0.189349 0.616867 0.967921 O\n0.689349 0.883133 0.467921 O\n0.000556 0.205996 0.952057 O\n0.500556 0.294004 0.452057 O\n0.999444 0.794004 0.047943 O\n0.499444 0.705996 0.547943 O\n0.000855 0.414207 0.815149 O\n0.500855 0.085793 0.315149 O\n0.999145 0.585793 0.184851 O\n0.499145 0.914207 0.684851 O\n0.579175 0.171695 0.997808 O\n0.079175 0.328305 0.497808 O\n0.420825 0.828305 0.002192 O\n0.920825 0.671695 0.502192 O\n0.190047 0.478306 0.637544 O\n0.690047 0.021694 0.137544 O\n0.809953 0.521694 0.362456 O\n0.309953 0.978306 0.862456 O\n",
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"elements": [
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"density": 4.785286653038135,
"density_atomic": 0.056971138513019576,
"volume": 1053.1648404092932,
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"formula_full": "Cs12 Pu4 H16 O28",
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"energy": -383.2753789,
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"updated_at": "2021-11-28T01:35:03.925000Z",
"spacegroup": 14
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{
"id": "mp-757625",
"created_at": "2022-09-04T14:40:32.239800Z",
"structure_string": "Li4 P8 W2 O26\n1.0\n5.185316 0.000000 0.000000\n1.400041 7.936219 0.000000\n1.445216 2.615435 13.347826\nLi P W O\n4 8 2 26\ndirect\n0.376612 0.328643 0.982226 Li\n0.069439 0.317222 0.510589 Li\n0.930561 0.682778 0.489411 Li\n0.623388 0.671357 0.017774 Li\n0.119217 0.795299 0.133844 P\n0.009806 0.903621 0.643933 P\n0.335880 0.571829 0.319415 P\n0.306039 0.661887 0.800981 P\n0.693961 0.338113 0.199019 P\n0.664120 0.428171 0.680585 P\n0.990194 0.096379 0.356067 P\n0.880783 0.204701 0.866156 P\n0.444995 0.053247 0.758928 W\n0.555005 0.946753 0.241072 W\n0.129631 0.646242 0.237398 O\n0.244119 0.714923 0.048095 O\n0.288893 0.031888 0.345482 O\n0.162617 0.044542 0.658188 O\n0.193678 0.524045 0.419024 O\n0.049265 0.751210 0.746575 O\n0.089755 0.820930 0.555666 O\n0.182467 0.143656 0.869376 O\n0.249979 0.941047 0.153683 O\n0.564952 0.198036 0.169673 O\n0.494590 0.399581 0.288777 O\n0.249500 0.519518 0.883088 O\n0.468729 0.302596 0.687023 O\n0.531271 0.697404 0.312977 O\n0.750500 0.480482 0.116912 O\n0.505410 0.600419 0.711223 O\n0.435048 0.801964 0.830327 O\n0.750021 0.058953 0.846317 O\n0.817533 0.856344 0.130624 O\n0.910245 0.179070 0.444334 O\n0.950735 0.248790 0.253425 O\n0.806322 0.475955 0.580976 O\n0.837383 0.955458 0.341812 O\n0.711107 0.968112 0.654518 O\n0.755881 0.285077 0.951905 O\n0.870369 0.353758 0.762602 O\n",
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{
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"structure_string": "Li7 Y7 Zr9 S32\n1.0\n7.686522 0.000000 0.000000\n3.720183 6.794631 0.000000\n3.470352 1.890909 24.855792\nLi Y Zr S\n7 7 9 32\ndirect\n0.688109 0.685397 0.937175 Li\n0.999721 0.001317 0.999975 Li\n0.437931 0.436298 0.687537 Li\n0.501332 0.500887 0.499569 Li\n0.936004 0.936343 0.188074 Li\n0.185668 0.186090 0.438660 Li\n0.251315 0.250841 0.249752 Li\n0.967811 0.469984 0.594073 Y\n0.217981 0.720428 0.842993 Y\n0.469893 0.968130 0.594154 Y\n0.218135 0.719233 0.343988 Y\n0.719178 0.218145 0.343981 Y\n0.968209 0.469362 0.093764 Y\n0.469481 0.968277 0.093882 Y\n0.344132 0.343257 0.968248 Zr\n0.217658 0.215564 0.841632 Zr\n0.726209 0.214473 0.841321 Zr\n0.844216 0.843542 0.469483 Zr\n0.093240 0.093792 0.719001 Zr\n0.964548 0.966091 0.594871 Zr\n0.593449 0.593931 0.219642 Zr\n0.719243 0.719317 0.344357 Zr\n0.469720 0.468542 0.094030 Zr\n0.917637 0.381116 0.785161 S\n0.379590 0.933572 0.782051 S\n0.056480 0.507292 0.906152 S\n0.520040 0.056588 0.903533 S\n0.531694 0.506678 0.905589 S\n0.266513 0.270024 0.660716 S\n0.411890 0.388554 0.787261 S\n0.902378 0.932598 0.782208 S\n0.024853 0.049505 0.901098 S\n0.792986 0.793642 0.650980 S\n0.135091 0.679537 0.530437 S\n0.678747 0.134712 0.530654 S\n0.803300 0.258617 0.657206 S\n0.256980 0.804275 0.658056 S\n0.019327 0.019392 0.408796 S\n0.146781 0.145972 0.536397 S\n0.895992 0.895744 0.285807 S\n0.667850 0.668906 0.528077 S\n0.418584 0.418592 0.278109 S\n0.541525 0.541775 0.401433 S\n0.884120 0.429540 0.280674 S\n0.429291 0.883669 0.280786 S\n0.553033 0.007914 0.406137 S\n0.758605 0.303502 0.155961 S\n0.303200 0.757900 0.156158 S\n0.008101 0.553485 0.406025 S\n0.769795 0.768959 0.158791 S\n0.646031 0.645917 0.035598 S\n0.170332 0.167691 0.027481 S\n0.291138 0.291939 0.151457 S\n0.633916 0.179936 0.030836 S\n0.181017 0.633217 0.030213 S\n",
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{
"id": "mp-677430",
"created_at": "2022-09-04T14:40:27.194497Z",
"structure_string": "Na1 Li1 La2 Ti4 O12\n1.0\n5.489875 0.000000 0.000000\n-0.007199 5.493248 0.000000\n-0.030569 -0.014525 8.006253\nNa Li La Ti O\n1 1 2 4 12\ndirect\n0.510743 0.989383 0.812242 Na\n0.484627 0.996148 0.383448 Li\n0.000479 0.493621 0.773423 La\n0.997182 0.498298 0.265231 La\n0.003456 0.997218 0.023881 Ti\n0.494449 0.496849 0.021280 Ti\n0.501608 0.499248 0.518074 Ti\n0.993801 0.999158 0.519645 Ti\n0.252497 0.758211 0.519304 O\n0.060315 0.001148 0.248015 O\n0.255318 0.251033 0.966799 O\n0.781315 0.277154 0.019933 O\n0.225912 0.273098 0.518528 O\n0.552888 0.500216 0.744978 O\n0.447128 0.499920 0.246974 O\n0.760501 0.737741 0.467998 O\n0.234655 0.730262 0.970744 O\n0.756591 0.750265 0.019404 O\n0.945959 0.003891 0.745163 O\n0.740577 0.247139 0.464935 O\n",
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{
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