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{
"id": "mp-1218379",
"created_at": "2022-09-04T14:45:04.611503Z",
"structure_string": "Sr4 Ga1 Si3\n1.0\n4.173456 0.000000 0.000000\n0.000000 4.791131 0.000000\n0.000000 0.000000 11.544923\nSr Ga Si\n4 1 3\ndirect\n0.000000 0.000000 0.365711 Sr\n0.000000 0.500000 0.858007 Sr\n0.500000 0.500000 0.141012 Sr\n0.500000 0.000000 0.637211 Sr\n0.000000 0.000000 0.063633 Ga\n0.000000 0.500000 0.561948 Si\n0.500000 0.500000 0.439097 Si\n0.500000 0.000000 0.933380 Si\n",
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{
"id": "mp-1235036",
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"structure_string": "Sr2 Li1 Zr1 Cr1 O6\n1.0\n-3.253552 -2.847609 4.313269\n-2.844563 2.847466 -4.023576\n3.248243 -2.849248 -4.311104\nSr Li Zr Cr O\n2 1 1 1 6\ndirect\n0.518879 0.257360 0.734030 Sr\n0.590414 0.793057 0.199231 Sr\n0.267763 0.631929 0.358341 Li\n0.959140 0.479103 0.519232 Zr\n0.993457 0.996165 0.001910 Cr\n0.984843 0.240733 0.251349 O\n0.994095 0.754493 0.765014 O\n0.474095 0.239015 0.260787 O\n0.491676 0.743952 0.750430 O\n0.986490 0.741711 0.249421 O\n0.989147 0.241530 0.767397 O\n",
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"formula_full": "Sr2 Li1 Zr1 Cr1 O6",
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{
"id": "mp-1247355",
"created_at": "2022-09-04T14:45:03.976539Z",
"structure_string": "Ba28 C4 N24\n1.0\n12.314301 0.000000 0.000000\n0.000000 7.120689 0.000000\n0.000000 0.000000 13.922252\nBa C N\n28 4 24\ndirect\n0.049966 0.744891 0.992041 Ba\n0.450034 0.755109 0.492041 Ba\n0.549966 0.755109 0.007959 Ba\n0.950034 0.744891 0.507959 Ba\n0.950034 0.255109 0.007959 Ba\n0.549966 0.244891 0.507959 Ba\n0.450034 0.244891 0.992041 Ba\n0.049966 0.255109 0.492041 Ba\n0.206543 0.867404 0.621438 Ba\n0.293457 0.632596 0.121438 Ba\n0.706543 0.632596 0.378562 Ba\n0.793457 0.867404 0.878562 Ba\n0.793457 0.132596 0.378562 Ba\n0.706543 0.367404 0.878562 Ba\n0.293457 0.367404 0.621438 Ba\n0.206543 0.132596 0.121438 Ba\n0.303329 0.632588 0.852306 Ba\n0.196671 0.867412 0.352306 Ba\n0.803329 0.867412 0.147694 Ba\n0.696671 0.632588 0.647694 Ba\n0.696671 0.367412 0.147694 Ba\n0.803329 0.132588 0.647694 Ba\n0.196671 0.132588 0.852306 Ba\n0.303329 0.367412 0.352306 Ba\n0.000000 0.485864 0.750000 Ba\n0.500000 0.014136 0.250000 Ba\n0.000000 0.514136 0.250000 Ba\n0.500000 0.985864 0.750000 Ba\n0.000000 0.929848 0.750000 C\n0.500000 0.570152 0.250000 C\n0.000000 0.070152 0.250000 C\n0.500000 0.429848 0.750000 C\n0.097363 0.802587 0.786957 N\n0.402637 0.697413 0.286957 N\n0.597363 0.697413 0.213043 N\n0.902637 0.802587 0.713043 N\n0.902637 0.197413 0.213043 N\n0.597363 0.302587 0.713043 N\n0.402637 0.302587 0.786957 N\n0.097363 0.197413 0.286957 N\n0.153155 0.609240 0.493276 N\n0.346845 0.890760 0.993276 N\n0.653155 0.890760 0.506724 N\n0.846845 0.609240 0.006724 N\n0.846845 0.390760 0.506724 N\n0.653155 0.109240 0.006724 N\n0.346845 0.109240 0.493276 N\n0.153155 0.390760 0.993276 N\n0.469892 0.553792 0.664240 N\n0.030108 0.946208 0.164240 N\n0.969892 0.946208 0.335760 N\n0.530108 0.553792 0.835760 N\n0.530108 0.446208 0.335760 N\n0.969892 0.053792 0.835760 N\n0.030108 0.053792 0.664240 N\n0.469892 0.446208 0.164240 N\n",
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"formula_full": "Ba28 C4 N24",
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"spacegroup": 60
},
{
"id": "mp-1218534",
"created_at": "2022-09-04T14:45:04.039663Z",
"structure_string": "Sr5 Zr1 Ti4 O15\n1.0\n11.666245 -2.822926 0.000000\n11.666245 2.822926 0.000000\n10.983171 0.000000 4.841501\nSr Zr Ti O\n5 1 4 15\ndirect\n0.897653 0.897653 0.897653 Sr\n0.102347 0.102347 0.102347 Sr\n0.500000 0.500000 0.500000 Sr\n0.297703 0.297703 0.297703 Sr\n0.702297 0.702297 0.702297 Sr\n0.000000 0.000000 0.000000 Zr\n0.401985 0.401985 0.401985 Ti\n0.800491 0.800491 0.800491 Ti\n0.199509 0.199509 0.199509 Ti\n0.598015 0.598015 0.598015 Ti\n0.397987 0.397987 0.899879 O\n0.602013 0.602013 0.100121 O\n0.000000 0.000000 0.500000 O\n0.792408 0.792408 0.308188 O\n0.207592 0.207592 0.691812 O\n0.899879 0.397987 0.397987 O\n0.100121 0.602013 0.602013 O\n0.500000 0.000000 0.000000 O\n0.308188 0.792408 0.792408 O\n0.691812 0.207592 0.207592 O\n0.397987 0.899879 0.397987 O\n0.602013 0.100121 0.602013 O\n0.000000 0.500000 0.000000 O\n0.792408 0.308188 0.792408 O\n0.207592 0.691812 0.207592 O\n",
"nsites": 25,
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"elements": [
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"density_atomic": 0.07839699218890347,
"volume": 318.88978520707286,
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"formula_full": "Sr5 Zr1 Ti4 O15",
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},
{
"id": "mp-1214860",
"created_at": "2022-09-04T14:45:04.123684Z",
"structure_string": "Ba8 Nd4 V12 O44\n1.0\n0.000000 -7.858249 0.000000\n-12.212102 0.000000 2.895904\n-0.038129 0.000000 -11.445059\nBa Nd V O\n8 4 12 44\ndirect\n0.273996 0.765183 0.941322 Ba\n0.726004 0.234817 0.058678 Ba\n0.773996 0.234817 0.558678 Ba\n0.226004 0.765183 0.441322 Ba\n0.747414 0.553960 0.889290 Ba\n0.252586 0.446040 0.110710 Ba\n0.247414 0.446040 0.610710 Ba\n0.752586 0.553960 0.389290 Ba\n0.500702 0.997657 0.711320 Nd\n0.499298 0.002343 0.288680 Nd\n0.000702 0.002343 0.788680 Nd\n0.999298 0.997657 0.211320 Nd\n0.751152 0.903842 0.975542 V\n0.248848 0.096158 0.024458 V\n0.251152 0.096158 0.524458 V\n0.748848 0.903842 0.475542 V\n0.519787 0.682649 0.673543 V\n0.480213 0.317351 0.326457 V\n0.019787 0.317351 0.826457 V\n0.980213 0.682649 0.173543 V\n0.980699 0.686067 0.670225 V\n0.019301 0.313933 0.329775 V\n0.480699 0.313933 0.829775 V\n0.519301 0.686067 0.170225 V\n0.442414 0.814964 0.719412 O\n0.557586 0.185036 0.280588 O\n0.942414 0.185036 0.780588 O\n0.057586 0.814964 0.219412 O\n0.552036 0.180571 0.809688 O\n0.447964 0.819429 0.190312 O\n0.052036 0.819429 0.690312 O\n0.947964 0.180571 0.309688 O\n0.750309 0.666808 0.667406 O\n0.249691 0.333192 0.332594 O\n0.250309 0.333192 0.832594 O\n0.749691 0.666808 0.167406 O\n0.945231 0.375684 0.965975 O\n0.054769 0.624316 0.034025 O\n0.445231 0.624316 0.534025 O\n0.554769 0.375684 0.465975 O\n0.942202 0.393494 0.731904 O\n0.057798 0.606506 0.268096 O\n0.442202 0.606506 0.768096 O\n0.557798 0.393494 0.231904 O\n0.785292 0.985892 0.621781 O\n0.214708 0.014108 0.378219 O\n0.285292 0.014108 0.878219 O\n0.714708 0.985892 0.121781 O\n0.969548 0.882091 0.973123 O\n0.030452 0.117909 0.026877 O\n0.469548 0.117909 0.526877 O\n0.530452 0.882091 0.473123 O\n0.637733 0.785416 0.946465 O\n0.362267 0.214584 0.053535 O\n0.137733 0.214584 0.553535 O\n0.862267 0.785416 0.446465 O\n0.717225 0.982594 0.866510 O\n0.282775 0.017406 0.133490 O\n0.217225 0.017406 0.633490 O\n0.782775 0.982594 0.366510 O\n0.558474 0.370592 0.719358 O\n0.441526 0.629408 0.280642 O\n0.058474 0.629408 0.780642 O\n0.941526 0.370592 0.219358 O\n0.562098 0.388684 0.961859 O\n0.437902 0.611316 0.038141 O\n0.062098 0.611316 0.538141 O\n0.937902 0.388684 0.461859 O\n",
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"formula_full": "Ba8 Nd4 V12 O44",
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{
"id": "mp-1222220",
"created_at": "2022-09-04T14:45:04.165226Z",
"structure_string": "Mg1 Mo6 Se8\n1.0\n6.808775 0.000000 0.000000\n-0.595006 6.835119 0.000000\n-0.504951 -0.177953 6.858191\nMg Mo Se\n1 6 8\ndirect\n0.881804 0.082898 0.003823 Mg\n0.582663 0.448223 0.765523 Mo\n0.410274 0.552780 0.233992 Mo\n0.455756 0.764220 0.581257 Mo\n0.542418 0.235272 0.421478 Mo\n0.764055 0.587893 0.455202 Mo\n0.235964 0.413061 0.545099 Mo\n0.795143 0.773234 0.783179 Se\n0.211303 0.218257 0.214175 Se\n0.870445 0.263097 0.633438 Se\n0.131145 0.732074 0.367730 Se\n0.629071 0.879896 0.262875 Se\n0.374641 0.117789 0.733810 Se\n0.273097 0.618611 0.864760 Se\n0.726222 0.387694 0.134657 Se\n",
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{
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{
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