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{
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{
"id": "mp-1516529",
"created_at": "2022-09-04T14:43:56.118488Z",
"structure_string": "Ba1 Na1 Sm1 W1 O6\n1.0\n0.000000 -4.258718 -4.258718\n4.258718 -0.000000 -4.258718\n4.258718 -4.258718 -0.000000\nBa Na Sm W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 -0.000000 Sm\n0.500000 0.500000 0.500000 W\n0.729571 0.270429 0.270429 O\n0.270429 0.729571 0.729571 O\n0.729571 0.270429 0.729571 O\n0.270429 0.729571 0.270429 O\n0.729571 0.729571 0.270429 O\n0.270429 0.270429 0.729571 O\n",
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"formula_full": "Ba1 Na1 Sm1 W1 O6",
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{
"id": "mp-1521791",
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"nsites": 40,
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"formula_full": "Ba4 Zr8 Sn4 O24",
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"updated_at": "2021-11-28T01:34:56.695000Z",
"spacegroup": 221
},
{
"id": "mp-560825",
"created_at": "2022-09-04T14:40:37.711571Z",
"structure_string": "Ba4 La4 Mn2 W4 O24\n1.0\n-3.026161 4.947684 0.000000\n-8.089319 -4.947684 3.315879\n2.440296 4.891853 8.180357\nBa La Mn W O\n4 4 2 4 24\ndirect\n0.297860 0.567380 0.404280 Ba\n0.797860 0.067380 0.404280 Ba\n0.202140 0.932620 0.595720 Ba\n0.702140 0.432620 0.595720 Ba\n0.060304 0.646565 0.879392 La\n0.560304 0.146565 0.879392 La\n0.439696 0.853435 0.120608 La\n0.939696 0.353435 0.120608 La\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.372271 0.209243 0.255458 W\n0.627729 0.790757 0.744542 W\n0.872271 0.709243 0.255458 W\n0.127729 0.290757 0.744542 W\n0.426360 0.691400 0.647841 O\n0.926360 0.191400 0.647841 O\n0.073640 0.808600 0.352159 O\n0.573640 0.308600 0.352159 O\n0.676079 0.941120 0.647841 O\n0.176079 0.441120 0.647841 O\n0.925799 0.691400 0.647841 O\n0.425799 0.191400 0.647841 O\n0.823921 0.558880 0.352159 O\n0.323921 0.058880 0.352159 O\n0.574201 0.808600 0.352159 O\n0.074201 0.308600 0.352159 O\n0.329759 0.890080 0.885477 O\n0.829759 0.390080 0.885477 O\n0.784764 0.890080 0.885477 O\n0.284764 0.390080 0.885477 O\n0.942739 0.837422 0.114523 O\n0.442739 0.337422 0.114523 O\n0.715236 0.609920 0.114523 O\n0.215236 0.109920 0.114523 O\n0.170241 0.609920 0.114523 O\n0.670241 0.109920 0.114523 O\n0.557261 0.662578 0.885477 O\n0.057261 0.162578 0.885477 O\n",
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"density": 7.19089505179997,
"density_atomic": 0.07049988291364892,
"volume": 539.007987382673,
"volume_molar": 8.54205781784937,
"formula_full": "Ba4 La4 Mn2 W4 O24",
"formula_reduced": "Ba2La2Mn(WO6)2",
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"energy": -327.92853759,
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"updated_at": "2021-11-28T01:35:06.591000Z",
"spacegroup": 166
},
{
"id": "mp-1245329",
"created_at": "2022-09-04T14:40:36.450668Z",
"structure_string": "Sn40 O40\n1.0\n11.329993 0.467410 0.172872\n0.492926 12.182149 -0.338039\n0.200422 -0.354438 12.536498\nSn O\n40 40\ndirect\n0.795536 0.261932 0.709361 Sn\n0.472250 0.194513 0.153640 Sn\n0.288693 0.440414 0.273079 Sn\n0.660003 0.574850 0.047835 Sn\n0.791719 0.239947 0.375959 Sn\n0.066731 0.677058 0.450532 Sn\n0.864761 0.011054 0.549242 Sn\n0.015922 0.874351 0.285448 Sn\n0.296512 0.909059 0.421415 Sn\n0.577942 0.077556 0.746142 Sn\n0.316888 0.872029 0.734360 Sn\n0.551806 0.078917 0.501960 Sn\n0.077647 0.396200 0.461354 Sn\n0.173313 0.871490 0.974344 Sn\n0.769012 0.128645 0.092611 Sn\n0.312861 0.985868 0.169337 Sn\n0.356225 0.594242 0.546825 Sn\n0.037331 0.611350 0.058082 Sn\n0.618055 0.969296 0.257935 Sn\n0.967152 0.006912 0.834257 Sn\n0.296858 0.135682 0.892111 Sn\n0.929437 0.417596 0.182156 Sn\n0.490464 0.718342 0.306693 Sn\n0.271191 0.414856 0.028289 Sn\n0.041960 0.188099 0.040070 Sn\n0.587951 0.892810 0.993559 Sn\n0.592225 0.333676 0.926132 Sn\n0.397847 0.316522 0.648365 Sn\n0.056017 0.696619 0.761607 Sn\n0.592345 0.538788 0.744318 Sn\n0.539182 0.376467 0.405682 Sn\n0.765589 0.884410 0.734428 Sn\n0.111165 0.352361 0.751343 Sn\n0.879815 0.468052 0.881160 Sn\n0.099076 0.123234 0.575839 Sn\n0.120014 0.165113 0.305598 Sn\n0.373078 0.692041 0.051206 Sn\n0.793988 0.750752 0.402472 Sn\n0.581557 0.776722 0.582468 Sn\n0.856427 0.555317 0.625939 Sn\n0.560966 0.726349 0.024003 O\n0.184925 0.055495 0.415072 O\n0.620019 0.198921 0.030368 O\n0.150697 0.813326 0.388272 O\n0.082905 0.417647 0.071811 O\n0.939365 0.837378 0.800995 O\n0.727688 0.573270 0.891376 O\n0.655344 0.793197 0.294775 O\n0.137153 0.524829 0.374348 O\n0.868076 0.907617 0.406707 O\n0.526545 0.242456 0.792942 O\n0.957591 0.714368 0.307800 O\n0.715392 0.968661 0.108814 O\n0.295659 0.928593 0.581233 O\n0.678453 0.630898 0.630395 O\n0.753930 0.433064 0.685377 O\n0.478367 0.246731 0.499543 O\n0.026525 0.234371 0.450567 O\n0.911300 0.468289 0.484467 O\n0.881136 0.265137 0.105483 O\n0.472120 0.463544 0.605262 O\n0.351503 0.249229 0.031804 O\n0.731570 0.120405 0.480234 O\n0.487503 0.917914 0.144303 O\n0.385780 0.484202 0.404152 O\n0.254014 0.830319 0.124545 O\n0.980588 0.258217 0.695690 O\n0.447395 0.747334 0.688657 O\n0.916843 0.067565 0.004104 O\n0.424283 0.017199 0.807862 O\n0.158661 0.408670 0.600927 O\n0.715239 0.155157 0.246819 O\n0.015545 0.615318 0.896915 O\n0.267617 0.016765 0.006741 O\n0.200790 0.313301 0.342493 O\n0.869536 0.528718 0.062041 O\n0.497443 0.676212 0.466379 O\n0.461225 0.335021 0.253993 O\n0.771965 0.314654 0.875836 O\n0.315638 0.766070 0.916410 O\n",
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"elements": [
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],
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"density": 5.1852054240640895,
"density_atomic": 0.046360590937262726,
"volume": 1725.6035434979606,
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"formula_full": "Sn40 O40",
"formula_reduced": "SnO",
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"spacegroup": 1
},
{
"id": "mp-764273",
"created_at": "2022-09-04T14:40:41.041506Z",
"structure_string": "Na4 Li2 Mn2 P2 C2 O14\n1.0\n0.261105 0.000002 5.287168\n0.000050 6.882631 0.000000\n-8.847846 -0.000064 -0.225307\nNa Li Mn P C O\n4 2 2 2 2 14\ndirect\n0.285672 0.996424 0.747103 Na\n0.285680 0.503582 0.747101 Na\n0.714327 0.496385 0.252846 Na\n0.714337 0.003608 0.252850 Na\n0.878323 0.250006 0.876493 Li\n0.121662 0.749996 0.123485 Li\n0.203303 0.249996 0.358167 Mn\n0.796884 0.750000 0.641936 Mn\n0.717383 0.249998 0.590975 P\n0.282675 0.749997 0.409039 P\n0.761902 0.750004 0.943168 C\n0.237996 0.249998 0.056822 C\n0.267787 0.250011 0.913084 O\n0.732168 0.749994 0.086908 O\n0.992725 0.750001 0.898559 O\n0.007131 0.249998 0.101402 O\n0.570346 0.750011 0.842858 O\n0.429521 0.249995 0.157154 O\n0.172394 0.749998 0.566693 O\n0.827584 0.250001 0.433307 O\n0.421909 0.249995 0.568016 O\n0.578134 0.749997 0.432056 O\n0.807137 0.070282 0.688474 O\n0.807125 0.429725 0.688473 O\n0.192943 0.570258 0.311522 O\n0.192946 0.929732 0.311524 O\n",
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],
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"formula_full": "Na4 Li2 Mn2 P2 C2 O14",
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"spacegroup": 11
},
{
"id": "mp-757345",
"created_at": "2022-09-04T14:40:32.501019Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n-0.000126 0.000018 6.021928\n7.828512 0.000404 -0.000161\n-3.913952 7.755305 0.000106\nLi Mn P O\n4 4 4 16\ndirect\n0.765098 0.263903 0.530160 Li\n0.265050 0.266567 0.530203 Li\n0.265050 0.733453 0.469806 Li\n0.765094 0.736088 0.469832 Li\n0.013763 0.290318 0.193220 Mn\n0.013711 0.709736 0.806806 Mn\n0.513785 0.097096 0.806605 Mn\n0.513777 0.902845 0.193380 Mn\n0.017115 0.077842 0.741720 P\n0.517070 0.663992 0.741901 P\n0.517100 0.336005 0.258100 P\n0.017110 0.922161 0.258279 P\n0.023852 0.137570 0.935294 O\n0.523819 0.202193 0.064537 O\n0.523844 0.797820 0.935463 O\n0.023854 0.862440 0.064707 O\n0.801239 0.152519 0.693899 O\n0.301146 0.541552 0.694074 O\n0.301206 0.458477 0.305963 O\n0.801227 0.847476 0.306094 O\n0.230601 0.150644 0.688989 O\n0.730552 0.538481 0.689170 O\n0.730600 0.461506 0.310816 O\n0.230573 0.849326 0.310993 O\n0.514942 0.207486 0.356095 O\n0.014944 0.148657 0.356170 O\n0.014917 0.851345 0.643828 O\n0.514927 0.792502 0.643898 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
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"spacegroup": 37
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{
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"structure_string": "Si24 O48\n1.0\n10.535846 0.000000 0.000000\n0.000000 10.535846 0.000000\n0.000000 0.000000 10.535846\nSi O\n24 48\ndirect\n0.220272 0.049120 0.853362 Si\n0.549120 0.853362 0.279728 Si\n0.549120 0.646638 0.779728 Si\n0.220272 0.450880 0.353362 Si\n0.950880 0.353362 0.279728 Si\n0.853362 0.220272 0.049120 Si\n0.450880 0.146638 0.720272 Si\n0.450880 0.353362 0.220272 Si\n0.353362 0.220272 0.450880 Si\n0.353362 0.279728 0.950880 Si\n0.950880 0.146638 0.779728 Si\n0.279728 0.549120 0.853362 Si\n0.720272 0.049120 0.646638 Si\n0.779728 0.950880 0.146638 Si\n0.720272 0.450880 0.146638 Si\n0.779728 0.549120 0.646638 Si\n0.646638 0.779728 0.549120 Si\n0.853362 0.279728 0.549120 Si\n0.049120 0.853362 0.220272 Si\n0.146638 0.779728 0.950880 Si\n0.146638 0.720272 0.450880 Si\n0.646638 0.720272 0.049120 Si\n0.279728 0.950880 0.353362 Si\n0.049120 0.646638 0.720272 Si\n0.084850 0.071002 0.782458 O\n0.665306 0.953021 0.251821 O\n0.546979 0.748179 0.165306 O\n0.584850 0.428998 0.217542 O\n0.071002 0.717542 0.584850 O\n0.953021 0.251821 0.665306 O\n0.546979 0.751821 0.665306 O\n0.751821 0.834694 0.046979 O\n0.748179 0.334694 0.046979 O\n0.453021 0.248179 0.334694 O\n0.834694 0.046979 0.751821 O\n0.084850 0.428998 0.282458 O\n0.915150 0.571002 0.717542 O\n0.248179 0.334694 0.453021 O\n0.571002 0.782458 0.415150 O\n0.717542 0.915150 0.571002 O\n0.217542 0.584850 0.428998 O\n0.046979 0.751821 0.834694 O\n0.834694 0.453021 0.251821 O\n0.251821 0.834694 0.453021 O\n0.165306 0.953021 0.248179 O\n0.165306 0.546979 0.748179 O\n0.251821 0.665306 0.953021 O\n0.415150 0.571002 0.782458 O\n0.334694 0.046979 0.748179 O\n0.928998 0.217542 0.915150 O\n0.584850 0.071002 0.717542 O\n0.248179 0.165306 0.953021 O\n0.415150 0.928998 0.282458 O\n0.782458 0.415150 0.571002 O\n0.928998 0.282458 0.415150 O\n0.282458 0.084850 0.428998 O\n0.751821 0.665306 0.546979 O\n0.571002 0.717542 0.915150 O\n0.717542 0.584850 0.071002 O\n0.915150 0.928998 0.217542 O\n0.217542 0.915150 0.928998 O\n0.428998 0.217542 0.584850 O\n0.046979 0.748179 0.334694 O\n0.748179 0.165306 0.546979 O\n0.071002 0.782458 0.084850 O\n0.782458 0.084850 0.071002 O\n0.953021 0.248179 0.165306 O\n0.453021 0.251821 0.834694 O\n0.282458 0.415150 0.928998 O\n0.428998 0.282458 0.084850 O\n0.334694 0.453021 0.248179 O\n0.665306 0.546979 0.751821 O\n",
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