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{
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{
"id": "mp-1208029",
"created_at": "2022-09-04T14:48:13.043756Z",
"structure_string": "Tm16 Mg4 Ni4\n1.0\n0.000000 6.694390 6.694390\n6.694390 0.000000 6.694390\n6.694390 6.694390 0.000000\nTm Mg Ni\n16 4 4\ndirect\n0.596789 0.596789 0.596789 Tm\n0.596789 0.596789 0.209634 Tm\n0.596789 0.209634 0.596789 Tm\n0.209634 0.596789 0.596789 Tm\n0.063709 0.436291 0.436291 Tm\n0.436291 0.063709 0.063709 Tm\n0.436291 0.063709 0.436291 Tm\n0.063709 0.436291 0.063709 Tm\n0.436291 0.436291 0.063709 Tm\n0.063709 0.063709 0.436291 Tm\n0.185335 0.814665 0.814665 Tm\n0.814665 0.185335 0.185335 Tm\n0.814665 0.185335 0.814665 Tm\n0.185335 0.814665 0.185335 Tm\n0.814665 0.814665 0.185335 Tm\n0.185335 0.185335 0.814665 Tm\n0.829792 0.829792 0.829792 Mg\n0.829792 0.829792 0.510623 Mg\n0.829792 0.510623 0.829792 Mg\n0.510623 0.829792 0.829792 Mg\n0.392342 0.392342 0.392342 Ni\n0.392342 0.392342 0.822975 Ni\n0.392342 0.822975 0.392342 Ni\n0.822975 0.392342 0.392342 Ni\n",
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{
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"structure_string": "V4 Fe2 P6 O24\n1.0\n7.376334 -4.324928 0.000000\n7.376334 4.324928 0.000000\n4.840522 0.000000 7.048734\nV Fe P O\n4 2 6 24\ndirect\n0.642725 0.642725 0.642725 V\n0.142725 0.142725 0.142725 V\n0.857275 0.857275 0.857275 V\n0.357275 0.357275 0.357275 V\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.958448 0.250000 0.541552 P\n0.541552 0.958448 0.250000 P\n0.250000 0.541552 0.958448 P\n0.750000 0.458448 0.041552 P\n0.458448 0.041552 0.750000 P\n0.041552 0.750000 0.458448 P\n0.505372 0.118649 0.309200 O\n0.309200 0.505372 0.118649 O\n0.118649 0.309200 0.505372 O\n0.941934 0.087363 0.737262 O\n0.994628 0.190800 0.381351 O\n0.762738 0.412637 0.558066 O\n0.737262 0.941934 0.087363 O\n0.558066 0.762738 0.412637 O\n0.809200 0.618649 0.005372 O\n0.412637 0.558066 0.762738 O\n0.912637 0.262738 0.058066 O\n0.618649 0.005372 0.809200 O\n0.381351 0.994628 0.190800 O\n0.087363 0.737262 0.941934 O\n0.587363 0.441934 0.237262 O\n0.190800 0.381351 0.994628 O\n0.441934 0.237262 0.587363 O\n0.262738 0.058066 0.912637 O\n0.237262 0.587363 0.441934 O\n0.005372 0.809200 0.618649 O\n0.058066 0.912637 0.262738 O\n0.881351 0.690800 0.494628 O\n0.690800 0.494628 0.881351 O\n0.494628 0.881351 0.690800 O\n",
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"formula_full": "V4 Fe2 P6 O24",
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},
{
"id": "mp-1226110",
"created_at": "2022-09-04T14:48:08.435459Z",
"structure_string": "Cr8 Co3 Ni1 S16\n1.0\n6.898935 0.000000 0.000000\n0.000000 6.898935 0.000000\n0.000000 0.000000 9.744333\nCr Co Ni S\n8 3 1 16\ndirect\n0.748905 0.000000 0.624558 Cr\n0.251302 0.500000 0.125442 Cr\n0.251095 0.000000 0.624558 Cr\n0.748698 0.500000 0.125442 Cr\n0.000000 0.251095 0.375442 Cr\n0.500000 0.748698 0.874558 Cr\n0.500000 0.251302 0.874558 Cr\n0.000000 0.748905 0.375442 Cr\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.249654 Co\n0.000000 0.500000 0.750346 Co\n0.500000 0.500000 0.500000 Ni\n0.760981 0.500000 0.369475 S\n0.260397 0.000000 0.869974 S\n0.239019 0.500000 0.369475 S\n0.739603 0.000000 0.869974 S\n0.500000 0.239019 0.630525 S\n0.000000 0.739603 0.130026 S\n0.500000 0.760981 0.630525 S\n0.000000 0.260397 0.130026 S\n0.241641 0.000000 0.379461 S\n0.740964 0.500000 0.878833 S\n0.758359 0.000000 0.379461 S\n0.259036 0.500000 0.878833 S\n0.500000 0.259036 0.121167 S\n0.000000 0.758359 0.620539 S\n0.500000 0.740964 0.121167 S\n0.000000 0.241641 0.620539 S\n",
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],
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"density": 4.16939491826579,
"density_atomic": 0.060372868087451216,
"volume": 463.784492720165,
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"formula_full": "Cr8 Co3 Ni1 S16",
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"formula_anonymous": "AB3C8D16",
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{
"id": "mp-781613",
"created_at": "2022-09-04T14:48:11.305029Z",
"structure_string": "Li4 Fe3 Co5 O16\n1.0\n5.755559 0.008340 -0.035050\n-2.870560 4.981317 -0.001738\n-0.057046 -0.036087 9.177425\nLi Fe Co O\n4 3 5 16\ndirect\n0.329328 0.664759 0.897697 Li\n0.009337 0.002632 0.996998 Li\n0.010689 0.005615 0.494976 Li\n0.662515 0.329179 0.391896 Li\n0.663922 0.832081 0.211311 Fe\n0.830091 0.660859 0.712438 Fe\n0.830520 0.169444 0.712155 Fe\n0.171808 0.828332 0.212983 Co\n0.329867 0.666921 0.483655 Co\n0.172951 0.344207 0.213240 Co\n0.348498 0.174399 0.713334 Co\n0.662628 0.333904 0.987711 Co\n0.177240 0.834426 0.594605 O\n0.039038 0.520356 0.337184 O\n0.315127 0.653071 0.108150 O\n0.019109 0.013753 0.304193 O\n0.016858 0.008377 0.804772 O\n0.177225 0.342898 0.594535 O\n0.467629 0.951679 0.345860 O\n0.462849 0.509150 0.345549 O\n0.338235 0.170231 0.102491 O\n0.660688 0.830611 0.595107 O\n0.509393 0.469320 0.847968 O\n0.510683 0.041852 0.849194 O\n0.658951 0.329685 0.602273 O\n0.835141 0.664419 0.096589 O\n0.949463 0.474472 0.852991 O\n0.840217 0.173669 0.097989 O\n",
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"elements": [
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},
{
"id": "mp-1193346",
"created_at": "2022-09-04T14:48:09.347687Z",
"structure_string": "Zr16 Co8 N4\n1.0\n0.000000 6.099517 6.099517\n6.099517 0.000000 6.099517\n6.099517 6.099517 0.000000\nZr Co N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Zr\n0.625000 0.125000 0.625000 Zr\n0.625000 0.625000 0.125000 Zr\n0.625000 0.625000 0.625000 Zr\n0.815028 0.815028 0.184972 Zr\n0.184972 0.184972 0.815028 Zr\n0.815028 0.184972 0.815028 Zr\n0.184972 0.815028 0.184972 Zr\n0.184972 0.815028 0.815028 Zr\n0.815028 0.184972 0.184972 Zr\n0.434972 0.434972 0.065028 Zr\n0.065028 0.065028 0.434972 Zr\n0.434972 0.065028 0.434972 Zr\n0.065028 0.434972 0.065028 Zr\n0.065028 0.434972 0.434972 Zr\n0.434972 0.065028 0.065028 Zr\n0.763042 0.412319 0.412319 Co\n0.412319 0.763042 0.412319 Co\n0.412319 0.412319 0.763042 Co\n0.412319 0.412319 0.412319 Co\n0.486958 0.837681 0.837681 Co\n0.837681 0.486958 0.837681 Co\n0.837681 0.837681 0.486958 Co\n0.837681 0.837681 0.837681 Co\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.125000 0.125000 0.125000 N\n",
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"density_atomic": 0.06169382503592831,
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"formula_full": "Zr16 Co8 N4",
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{
"id": "mp-1211086",
"created_at": "2022-09-04T14:48:11.583202Z",
"structure_string": "Mg2 V16 O48\n1.0\n0.000000 -8.068677 0.000000\n-11.174457 0.000000 0.230001\n-0.003498 0.000000 -10.738368\nMg V O\n2 16 48\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.541000 0.640571 0.915428 V\n0.459000 0.359429 0.084572 V\n0.041000 0.359429 0.584572 V\n0.959000 0.640571 0.415428 V\n0.969482 0.664751 0.975069 V\n0.030518 0.335249 0.024931 V\n0.469482 0.335249 0.524931 V\n0.530518 0.664751 0.475069 V\n0.722250 0.359004 0.798807 V\n0.277750 0.640996 0.201193 V\n0.222250 0.640996 0.701193 V\n0.777750 0.359004 0.298807 V\n0.841011 0.644022 0.687549 V\n0.158989 0.355978 0.312451 V\n0.341011 0.355978 0.812451 V\n0.658989 0.644022 0.187549 V\n0.246358 0.989730 0.500275 O\n0.753642 0.010270 0.499725 O\n0.746358 0.010270 0.999725 O\n0.253642 0.989730 0.000275 O\n0.539515 0.390872 0.919093 O\n0.460485 0.609128 0.080907 O\n0.039515 0.609128 0.580907 O\n0.960485 0.390872 0.419093 O\n0.520420 0.376452 0.686374 O\n0.479580 0.623548 0.313626 O\n0.020420 0.623548 0.813626 O\n0.979580 0.376452 0.186374 O\n0.884853 0.395883 0.925483 O\n0.115147 0.604117 0.074517 O\n0.384853 0.604117 0.574517 O\n0.615147 0.395883 0.425483 O\n0.235601 0.784022 0.706141 O\n0.764399 0.215978 0.293859 O\n0.735601 0.215978 0.793859 O\n0.264399 0.784022 0.206141 O\n0.511140 0.992269 0.690301 O\n0.488860 0.007731 0.309699 O\n0.011140 0.007731 0.809699 O\n0.988860 0.992269 0.190301 O\n0.739602 0.622007 0.525137 O\n0.260398 0.377993 0.474863 O\n0.239602 0.377993 0.974863 O\n0.760398 0.622007 0.025137 O\n0.859418 0.409076 0.671120 O\n0.140582 0.590924 0.328880 O\n0.359418 0.590924 0.828880 O\n0.640582 0.409076 0.171120 O\n0.818159 0.785978 0.703196 O\n0.181841 0.214022 0.296804 O\n0.318159 0.214022 0.796804 O\n0.681841 0.785978 0.203196 O\n0.539064 0.782909 0.903593 O\n0.460936 0.217091 0.096407 O\n0.039064 0.217091 0.596407 O\n0.960936 0.782909 0.403593 O\n0.982429 0.810902 0.988708 O\n0.017571 0.189098 0.011292 O\n0.482429 0.189098 0.511292 O\n0.517571 0.810902 0.488708 O\n0.689388 0.581764 0.791327 O\n0.310612 0.418236 0.208673 O\n0.189388 0.418236 0.708673 O\n0.810612 0.581764 0.291327 O\n",
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{
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"structure_string": "Y6 Mn2 Al2 S14\n1.0\n4.852705 -8.405131 0.000000\n4.852705 8.405131 0.000000\n0.000000 0.000000 6.130002\nY Mn Al S\n6 2 2 14\ndirect\n0.766813 0.144537 0.735105 Y\n0.377724 0.233187 0.735105 Y\n0.855463 0.622276 0.735105 Y\n0.233187 0.855463 0.235105 Y\n0.622276 0.766813 0.235105 Y\n0.144537 0.377724 0.235105 Y\n0.000000 0.000000 0.528494 Mn\n0.000000 0.000000 0.028494 Mn\n0.666667 0.333333 0.160641 Al\n0.333333 0.666667 0.660641 Al\n0.855561 0.099569 0.311356 S\n0.244007 0.144439 0.311356 S\n0.900431 0.755993 0.311356 S\n0.144439 0.900431 0.811356 S\n0.755993 0.855561 0.811356 S\n0.099569 0.244007 0.811356 S\n0.905616 0.422146 0.002742 S\n0.516530 0.094384 0.002742 S\n0.577854 0.483470 0.002742 S\n0.094384 0.577854 0.502742 S\n0.483470 0.905616 0.502742 S\n0.422146 0.516530 0.502742 S\n0.666667 0.333333 0.527307 S\n0.333333 0.666667 0.027307 S\n",
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{
"id": "mp-1235469",
"created_at": "2022-09-04T14:48:11.313081Z",
"structure_string": "Li1 Ti2 Zn2 P2 O10\n1.0\n3.954001 -0.009617 4.127171\n-3.422339 6.684139 -0.029037\n0.228352 0.056533 8.083556\nLi Ti Zn P O\n1 2 2 2 10\ndirect\n0.992990 0.633981 0.684100 Li\n0.514210 0.494536 0.508201 Ti\n0.525920 0.010589 0.479354 Ti\n0.378496 0.259686 0.256381 Zn\n0.496211 0.803718 0.806743 Zn\n0.552883 0.254528 0.841553 P\n0.461383 0.733691 0.155763 P\n0.650278 0.110533 0.680592 O\n0.566699 0.430359 0.734161 O\n0.377207 0.869243 0.319509 O\n0.467857 0.559333 0.251996 O\n0.140074 0.655409 0.182109 O\n0.844944 0.843445 0.846886 O\n0.857489 0.347203 0.827703 O\n0.155212 0.135915 0.144865 O\n0.460708 0.740653 0.594873 O\n0.511748 0.252119 0.411076 O\n",
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{
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"elements": [
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],
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{
"id": "mp-1094643",
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{
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"created_at": "2022-09-04T14:48:09.363514Z",
"structure_string": "Er20 Si16\n1.0\n7.599294 0.000000 0.000000\n0.000000 7.420212 0.000000\n0.000000 0.877992 14.430469\nEr Si\n20 16\ndirect\n0.822276 0.326949 0.377534 Er\n0.322276 0.173051 0.622466 Er\n0.177724 0.673051 0.622466 Er\n0.677724 0.826949 0.377534 Er\n0.665761 0.855143 0.120377 Er\n0.165761 0.644857 0.879623 Er\n0.334239 0.144857 0.879623 Er\n0.834239 0.355143 0.120377 Er\n0.683358 0.522323 0.600893 Er\n0.183358 0.977677 0.399107 Er\n0.316642 0.477677 0.399107 Er\n0.816642 0.022323 0.600893 Er\n0.680547 0.495418 0.900643 Er\n0.180547 0.004582 0.099357 Er\n0.319453 0.504582 0.099357 Er\n0.819453 0.995418 0.900643 Er\n0.504931 0.825973 0.753893 Er\n0.004931 0.674027 0.246107 Er\n0.495069 0.174027 0.246107 Er\n0.995069 0.325973 0.753893 Er\n0.971958 0.647241 0.458853 Si\n0.471958 0.852759 0.541147 Si\n0.028042 0.352759 0.541147 Si\n0.528042 0.147241 0.458853 Si\n0.964994 0.703136 0.041708 Si\n0.464994 0.796864 0.958292 Si\n0.035006 0.296864 0.958292 Si\n0.535006 0.203136 0.041708 Si\n0.869347 0.710770 0.748087 Si\n0.369347 0.789230 0.251913 Si\n0.130653 0.289230 0.251913 Si\n0.630653 0.210770 0.748087 Si\n0.392309 0.454707 0.748009 Si\n0.892309 0.045293 0.251991 Si\n0.607691 0.545293 0.251991 Si\n0.107691 0.954707 0.748009 Si\n",
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"elements": [
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"density": 7.743532793911429,
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"volume": 813.7106617593498,
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"formula_full": "Er20 Si16",
"formula_reduced": "Er5Si4",
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},
{
"id": "mp-1218326",
"created_at": "2022-09-04T14:48:16.932201Z",
"structure_string": "Sr2 Cr2 O4\n1.0\n4.058915 0.000007 3.469393\n-0.000004 -4.058623 -3.469397\n0.000013 4.058625 -3.469400\nSr Cr O\n2 2 4\ndirect\n0.499998 0.250001 0.749998 Sr\n0.499998 0.750000 0.249996 Sr\n0.999991 0.499997 0.499995 Cr\n0.999993 0.999992 0.999999 Cr\n0.000008 0.250002 0.750007 O\n0.999989 0.750004 0.249994 O\n0.500018 0.750007 0.750010 O\n0.500004 0.249997 0.250002 O\n",
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"formula_full": "Sr2 Cr2 O4",
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"updated_at": "2021-11-28T01:40:08.384000Z",
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}
]
}