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{
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{
"id": "mp-1518507",
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{
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"structure_string": "Li4 Si6 Ni2 O16\n1.0\n8.448876 0.000000 0.000000\n0.000000 6.328590 0.000000\n0.000000 1.781096 6.405199\nLi Si Ni O\n4 6 2 16\ndirect\n0.699080 0.855846 0.745664 Li\n0.186596 0.561678 0.473639 Li\n0.686596 0.438322 0.526361 Li\n0.199080 0.144154 0.254336 Li\n0.480909 0.414732 0.971260 Si\n0.811278 0.233237 0.911329 Si\n0.335532 0.166253 0.703311 Si\n0.835532 0.833747 0.296689 Si\n0.311278 0.766763 0.088671 Si\n0.980909 0.585268 0.028740 Si\n0.010702 0.026256 0.621102 Ni\n0.510702 0.973744 0.378898 Ni\n0.259018 0.994066 0.916674 O\n0.966234 0.334459 0.002812 O\n0.665430 0.410434 0.891624 O\n0.930935 0.765347 0.822018 O\n0.371570 0.398331 0.768829 O\n0.835629 0.207063 0.679167 O\n0.497600 0.070996 0.633360 O\n0.194337 0.230272 0.529938 O\n0.694337 0.769728 0.470062 O\n0.997600 0.929004 0.366640 O\n0.335629 0.792937 0.320833 O\n0.871570 0.601669 0.231171 O\n0.430935 0.234653 0.177982 O\n0.165430 0.589566 0.108376 O\n0.466234 0.665541 0.997188 O\n0.759018 0.005934 0.083326 O\n",
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"formula_full": "Li4 Si6 Ni2 O16",
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{
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"structure_string": "Ca8 Re4 N12\n1.0\n6.068241 -0.090383 -0.000000\n9.611436 4.836838 -0.000000\n-0.000000 0.000000 12.263447\nCa Re N\n8 4 12\ndirect\n0.000000 0.451258 0.633393 Ca\n-0.000000 0.548742 0.366607 Ca\n-0.000000 0.048742 0.133393 Ca\n0.000000 0.951258 0.866607 Ca\n0.000000 0.140964 0.581855 Ca\n-0.000000 0.859036 0.418145 Ca\n-0.000000 0.359036 0.081855 Ca\n0.000000 0.640964 0.918145 Ca\n0.000000 0.257414 0.845097 Re\n-0.000000 0.742586 0.154903 Re\n-0.000000 0.242586 0.345097 Re\n0.000000 0.757414 0.654903 Re\n0.000000 0.153721 0.970068 N\n1.000000 0.846279 0.029932 N\n1.000000 0.346279 0.470068 N\n0.000000 0.653721 0.529932 N\n0.000000 0.426332 0.873289 N\n-0.000000 0.573668 0.126711 N\n-0.000000 0.073668 0.373289 N\n0.000000 0.926332 0.626711 N\n0.500000 0.457413 0.750000 N\n0.500000 0.042587 0.250000 N\n0.500000 0.542587 0.250000 N\n0.500000 0.957413 0.750000 N\n",
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"elements": [
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"volume": 370.5990270265635,
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"formula_full": "Ca8 Re4 N12",
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},
{
"id": "mp-1225459",
"created_at": "2022-09-04T14:46:21.683862Z",
"structure_string": "Er1 Si1 Ni3\n1.0\n-1.891891 1.891891 5.040902\n1.891891 -1.891891 5.040902\n1.891891 1.891891 -5.040902\nEr Si Ni\n1 1 3\ndirect\n0.011534 0.011534 0.000000 Er\n0.379590 0.379590 0.000000 Si\n0.753560 0.253560 0.500000 Ni\n0.253560 0.753560 0.500000 Ni\n0.601756 0.601756 0.000000 Ni\n",
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"formula_full": "Er1 Si1 Ni3",
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},
{
"id": "mp-1211749",
"created_at": "2022-09-04T14:46:21.692778Z",
"structure_string": "Li4 Mg12 W12 O48\n1.0\n5.238080 0.000000 0.000000\n0.000000 10.722910 0.000000\n0.000000 0.000000 17.328785\nLi Mg W O\n4 12 12 48\ndirect\n0.277439 0.250000 0.695137 Li\n0.722561 0.750000 0.304863 Li\n0.222561 0.750000 0.195137 Li\n0.777439 0.250000 0.804863 Li\n0.102158 0.250000 0.251031 Mg\n0.897842 0.750000 0.748969 Mg\n0.397842 0.750000 0.751031 Mg\n0.602158 0.250000 0.248969 Mg\n0.242051 0.070389 0.527619 Mg\n0.757949 0.929611 0.472381 Mg\n0.257949 0.929611 0.027619 Mg\n0.757949 0.570389 0.472381 Mg\n0.742051 0.070389 0.972381 Mg\n0.242051 0.429611 0.527619 Mg\n0.742051 0.429611 0.972381 Mg\n0.257949 0.570389 0.027619 Mg\n0.282693 0.250000 0.054941 W\n0.717307 0.750000 0.945059 W\n0.217307 0.750000 0.554941 W\n0.782693 0.250000 0.445059 W\n0.277948 0.536094 0.331241 W\n0.722052 0.463906 0.668759 W\n0.222052 0.463906 0.831241 W\n0.722052 0.036094 0.668759 W\n0.777948 0.536094 0.168759 W\n0.277948 0.963906 0.331241 W\n0.777948 0.963906 0.168759 W\n0.222052 0.036094 0.831241 W\n0.354642 0.122823 0.293370 O\n0.645358 0.877177 0.706630 O\n0.145358 0.877177 0.793370 O\n0.645358 0.622823 0.706630 O\n0.854642 0.122823 0.206630 O\n0.354642 0.377177 0.293370 O\n0.854642 0.377177 0.206630 O\n0.145358 0.622823 0.793370 O\n0.016462 0.612567 0.275167 O\n0.983538 0.387433 0.724833 O\n0.483538 0.387433 0.775167 O\n0.983538 0.112567 0.724833 O\n0.516462 0.612567 0.224833 O\n0.016462 0.887433 0.275167 O\n0.516462 0.887433 0.224833 O\n0.483538 0.112567 0.775167 O\n0.069170 0.250000 0.506722 O\n0.930830 0.750000 0.493278 O\n0.430830 0.750000 0.006722 O\n0.569170 0.250000 0.993278 O\n0.085255 0.115194 0.034432 O\n0.914745 0.884806 0.965568 O\n0.414745 0.884806 0.534432 O\n0.914745 0.615194 0.965568 O\n0.585255 0.115194 0.465568 O\n0.085255 0.384806 0.034432 O\n0.585255 0.384806 0.465568 O\n0.414745 0.615194 0.534432 O\n0.353307 0.250000 0.157317 O\n0.646693 0.750000 0.842683 O\n0.146693 0.750000 0.657317 O\n0.853307 0.250000 0.342683 O\n0.084363 0.006030 0.421872 O\n0.915637 0.993970 0.578128 O\n0.415637 0.993970 0.921872 O\n0.915637 0.506030 0.578128 O\n0.584363 0.006030 0.078128 O\n0.084363 0.493970 0.421872 O\n0.584363 0.493970 0.078128 O\n0.415637 0.506030 0.921872 O\n0.046481 0.616442 0.121270 O\n0.953519 0.383558 0.878730 O\n0.453519 0.383558 0.621270 O\n0.953519 0.116442 0.878730 O\n0.546481 0.616442 0.378730 O\n0.046481 0.883558 0.121270 O\n0.546481 0.883558 0.378730 O\n0.453519 0.116442 0.621270 O\n",
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"formula_full": "Li4 Mg12 W12 O48",
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{
"id": "mp-3390",
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"structure_string": "Y1 Cu2 Si2\n1.0\n-1.983831 1.983831 4.993654\n1.983831 -1.983831 4.993654\n1.983831 1.983831 -4.993654\nY Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.617661 0.617661 0.000000 Si\n0.382339 0.382339 0.000000 Si\n",
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"formula_full": "Y1 Cu2 Si2",
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{
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"structure_string": "Mg14 Si1 Mo1\n1.0\n6.204349 0.046002 0.000000\n-3.062336 5.304120 0.000000\n0.000000 0.000000 10.077774\nMg Si Mo\n14 1 1\ndirect\n0.167266 0.333632 0.625000 Mg\n0.167002 0.833500 0.625000 Mg\n0.669215 0.335772 0.125000 Mg\n0.664453 0.332339 0.625000 Mg\n0.669215 0.833442 0.125000 Mg\n0.664453 0.832113 0.625000 Mg\n0.328222 0.162377 0.362115 Mg\n0.328222 0.162377 0.887884 Mg\n0.328222 0.665846 0.362115 Mg\n0.328222 0.665846 0.887884 Mg\n0.838751 0.169376 0.372137 Mg\n0.838751 0.169376 0.877863 Mg\n0.842670 0.671335 0.370131 Mg\n0.842670 0.671335 0.879869 Mg\n0.160574 0.330287 0.125000 Si\n0.162094 0.831047 0.125000 Mo\n",
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"formula_full": "Mg14 Si1 Mo1",
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{
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"structure_string": "Li4 V3 Fe3 Sb2 O16\n1.0\n5.954406 0.047200 0.030259\n-2.936200 5.096566 0.000339\n0.048237 0.028072 9.778980\nLi V Fe Sb O\n4 3 3 2 16\ndirect\n0.343528 0.672270 0.898930 Li\n0.996637 0.998008 0.989572 Li\n0.995662 0.997167 0.489169 Li\n0.672560 0.336989 0.397495 Li\n0.655069 0.827563 0.223491 V\n0.826401 0.645182 0.717512 V\n0.824909 0.178704 0.715968 V\n0.161206 0.812945 0.208840 Fe\n0.161359 0.348195 0.208933 Fe\n0.335306 0.166567 0.712327 Fe\n0.331461 0.665657 0.489768 Sb\n0.660638 0.329921 0.992882 Sb\n0.157395 0.830054 0.594871 O\n0.040333 0.521421 0.350356 O\n0.376500 0.689489 0.106094 O\n0.976195 0.987152 0.299569 O\n0.975442 0.985348 0.799600 O\n0.156040 0.326108 0.594040 O\n0.491044 0.965447 0.346770 O\n0.490558 0.526080 0.346715 O\n0.325978 0.162179 0.093408 O\n0.663432 0.831331 0.598452 O\n0.531820 0.491399 0.845806 O\n0.532609 0.041153 0.845114 O\n0.685205 0.347367 0.603550 O\n0.831904 0.664735 0.096216 O\n0.968126 0.485779 0.846628 O\n0.832679 0.166091 0.095760 O\n",
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{
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"structure_string": "U4 Ti6 Si8\n1.0\n6.852241 0.000000 0.000000\n0.000000 6.866430 0.000000\n0.000000 2.459427 6.522684\nU Ti Si\n4 6 8\ndirect\n0.630470 0.151756 0.448991 U\n0.130470 0.848244 0.051009 U\n0.369530 0.848244 0.551009 U\n0.869530 0.151756 0.948991 U\n0.683664 0.745547 0.251451 Ti\n0.183664 0.254453 0.248549 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.316336 0.254453 0.748549 Ti\n0.816336 0.745547 0.751451 Ti\n0.866250 0.476101 0.139240 Si\n0.366250 0.523899 0.360760 Si\n0.133750 0.523899 0.860760 Si\n0.633750 0.476101 0.639240 Si\n0.536221 0.912713 0.882624 Si\n0.036221 0.087287 0.617376 Si\n0.963779 0.912713 0.382624 Si\n0.463779 0.087287 0.117376 Si\n",
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{
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"structure_string": "Cr6 N8\n1.0\n4.037152 -6.992552 0.000000\n4.037152 6.992552 0.000000\n0.000000 0.000000 3.118740\nCr N\n6 8\ndirect\n0.596052 0.818337 0.750000 Cr\n0.222284 0.403948 0.750000 Cr\n0.181663 0.777716 0.750000 Cr\n0.403948 0.181663 0.250000 Cr\n0.777716 0.596052 0.250000 Cr\n0.818337 0.222284 0.250000 Cr\n0.333333 0.666667 0.750000 N\n0.666667 0.333333 0.250000 N\n0.706284 0.668616 0.750000 N\n0.962332 0.293716 0.750000 N\n0.331384 0.037668 0.750000 N\n0.293716 0.331384 0.250000 N\n0.037668 0.706284 0.250000 N\n0.668616 0.962332 0.250000 N\n",
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