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{
"id": "mp-1247430",
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{
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"structure_string": "Ba6 Sc2 N6\n1.0\n8.552027 0.000005 0.000000\n-4.276011 7.406247 0.000000\n0.000000 0.000000 5.676494\nBa Sc N\n6 2 6\ndirect\n0.931460 0.648341 0.250000 Ba\n0.716880 0.068539 0.250000 Ba\n0.351661 0.283121 0.250000 Ba\n0.068540 0.351659 0.750000 Ba\n0.283120 0.931461 0.750000 Ba\n0.648339 0.716879 0.750000 Ba\n0.666665 0.333332 0.750000 Sc\n0.333335 0.666668 0.250000 Sc\n0.880692 0.593276 0.750000 N\n0.712586 0.119308 0.750000 N\n0.406726 0.287418 0.750000 N\n0.119308 0.406724 0.250000 N\n0.287414 0.880692 0.250000 N\n0.593274 0.712582 0.250000 N\n",
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"spacegroup": 176
},
{
"id": "mp-1214517",
"created_at": "2022-09-04T14:43:20.104473Z",
"structure_string": "Ba6 Sr6 Sb4 N4\n1.0\n-3.773376 -6.535679 0.000000\n-3.773376 6.535679 0.000000\n0.000000 0.000000 -12.716549\nBa Sr Sb N\n6 6 4 4\ndirect\n0.827316 0.172684 0.750000 Ba\n0.172684 0.827316 0.250000 Ba\n0.345368 0.172684 0.750000 Ba\n0.654632 0.827316 0.250000 Ba\n0.827316 0.654632 0.750000 Ba\n0.172684 0.345368 0.250000 Ba\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.887273 N\n0.333333 0.666667 0.112727 N\n0.333333 0.666667 0.387273 N\n0.666667 0.333333 0.612727 N\n",
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{
"id": "mp-1013557",
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"structure_string": "Ba3 Sb1 N1\n1.0\n5.573581 0.000000 0.000000\n0.000000 5.573581 0.000000\n0.000000 0.000000 5.573581\nBa Sb N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 N\n",
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},
{
"id": "mp-1013708",
"created_at": "2022-09-04T14:47:25.374959Z",
"structure_string": "Ba3 Sb1 N1\n1.0\n6.520000 0.000000 0.000000\n0.000000 6.520000 0.000000\n0.000000 0.000000 6.520000\nBa Sb N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 N\n",
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"density": 3.281609293133699,
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{
"id": "mp-12814",
"created_at": "2022-09-04T14:39:29.762939Z",
"structure_string": "Ba6 Sb2 N2\n1.0\n3.833620 -6.640025 0.000000\n3.833620 6.640025 0.000000\n0.000000 0.000000 6.755284\nBa Sb N\n6 2 2\ndirect\n0.680948 0.840474 0.250000 Ba\n0.840474 0.159526 0.750000 Ba\n0.159526 0.319052 0.250000 Ba\n0.840474 0.680948 0.750000 Ba\n0.319052 0.159526 0.750000 Ba\n0.159526 0.840474 0.250000 Ba\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "mp-1246824",
"created_at": "2022-09-04T14:39:46.524434Z",
"structure_string": "Ba12 Sb24 N48\n1.0\n11.520297 0.000000 0.000000\n0.000000 11.520297 0.000000\n0.000000 0.000000 11.520297\nBa Sb N\n12 24 48\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.123521 0.876479 0.376479 Ba\n0.876479 0.376479 0.123521 Ba\n0.376479 0.123521 0.876479 Ba\n0.623521 0.623521 0.623521 Ba\n0.876479 0.123521 0.623521 Ba\n0.123521 0.623521 0.876479 Ba\n0.623521 0.876479 0.123521 Ba\n0.376479 0.376479 0.376479 Ba\n0.393390 0.703430 0.344052 Sb\n0.606610 0.203430 0.155948 Sb\n0.106610 0.296570 0.844052 Sb\n0.893390 0.796570 0.655948 Sb\n0.344052 0.393390 0.703430 Sb\n0.155948 0.606610 0.203430 Sb\n0.844052 0.106610 0.296570 Sb\n0.655948 0.893390 0.796570 Sb\n0.703430 0.344052 0.393390 Sb\n0.203430 0.155948 0.606610 Sb\n0.296570 0.844052 0.106610 Sb\n0.796570 0.655948 0.893390 Sb\n0.606610 0.296570 0.655948 Sb\n0.393390 0.796570 0.844052 Sb\n0.893390 0.703430 0.155948 Sb\n0.106610 0.203430 0.344052 Sb\n0.655948 0.606610 0.296570 Sb\n0.844052 0.393390 0.796570 Sb\n0.155948 0.893390 0.703430 Sb\n0.344052 0.106610 0.203430 Sb\n0.296570 0.655948 0.606610 Sb\n0.796570 0.844052 0.393390 Sb\n0.703430 0.155948 0.893390 Sb\n0.203430 0.344052 0.106610 Sb\n0.372253 0.858275 0.266045 N\n0.627747 0.358275 0.233955 N\n0.127747 0.141725 0.766045 N\n0.872253 0.641725 0.733955 N\n0.266045 0.372253 0.858275 N\n0.233955 0.627747 0.358275 N\n0.766045 0.127747 0.141725 N\n0.733955 0.872253 0.641725 N\n0.858275 0.266045 0.372253 N\n0.358275 0.233955 0.627747 N\n0.141725 0.766045 0.127747 N\n0.641725 0.733955 0.872253 N\n0.627747 0.141725 0.733955 N\n0.372253 0.641725 0.766045 N\n0.872253 0.858275 0.233955 N\n0.127747 0.358275 0.266045 N\n0.733955 0.627747 0.141725 N\n0.766045 0.372253 0.641725 N\n0.233955 0.872253 0.858275 N\n0.266045 0.127747 0.358275 N\n0.141725 0.733955 0.627747 N\n0.641725 0.766045 0.372253 N\n0.858275 0.233955 0.872253 N\n0.358275 0.266045 0.127747 N\n0.424289 0.732374 0.513587 N\n0.575711 0.232374 0.986413 N\n0.075711 0.267626 0.013587 N\n0.924289 0.767626 0.486413 N\n0.513587 0.424289 0.732374 N\n0.986413 0.575711 0.232374 N\n0.013587 0.075711 0.267626 N\n0.486413 0.924289 0.767626 N\n0.732374 0.513587 0.424289 N\n0.232374 0.986413 0.575711 N\n0.267626 0.013587 0.075711 N\n0.767626 0.486413 0.924289 N\n0.575711 0.267626 0.486413 N\n0.424289 0.767626 0.013587 N\n0.924289 0.732374 0.986413 N\n0.075711 0.232374 0.513587 N\n0.486413 0.575711 0.267626 N\n0.013587 0.424289 0.767626 N\n0.986413 0.924289 0.732374 N\n0.513587 0.075711 0.232374 N\n0.267626 0.486413 0.575711 N\n0.767626 0.013587 0.424289 N\n0.732374 0.986413 0.924289 N\n0.232374 0.513587 0.075711 N\n",
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{
"id": "mp-1247464",
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"structure_string": "Ba8 Sb4 N12\n1.0\n6.850802 -0.065988 0.094862\n-10.855710 5.624636 0.000000\n-0.189886 -0.366485 13.217446\nBa Sb N\n8 4 12\ndirect\n0.499859 0.046469 0.857150 Ba\n0.500141 0.546611 0.642850 Ba\n0.500141 0.953531 0.142850 Ba\n0.499859 0.453389 0.357150 Ba\n0.500381 0.865478 0.576572 Ba\n0.499619 0.365097 0.923428 Ba\n0.499619 0.134522 0.423428 Ba\n0.500381 0.634903 0.076572 Ba\n0.500546 0.246102 0.663331 Sb\n0.499454 0.745557 0.836669 Sb\n0.499454 0.753898 0.336669 Sb\n0.500546 0.254443 0.163331 Sb\n0.000000 0.555921 0.750000 N\n0.000000 0.444079 0.250000 N\n0.502052 0.084098 0.641951 N\n0.497948 0.582046 0.858049 N\n0.497948 0.915902 0.358049 N\n0.502052 0.417954 0.141951 N\n0.499376 0.154319 0.042215 N\n0.500624 0.654943 0.457785 N\n0.500624 0.845681 0.957785 N\n0.499376 0.345057 0.542215 N\n0.000000 0.054980 0.750000 N\n0.000000 0.945020 0.250000 N\n",
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{
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"structure_string": "Ba8 Ru2 N8\n1.0\n7.015795 0.257157 -0.332947\n2.841310 6.487396 -0.318252\n1.547278 2.518643 8.790915\nBa Ru N\n8 2 8\ndirect\n0.820047 0.611508 0.131585 Ba\n0.179953 0.388492 0.868415 Ba\n0.709535 0.218206 0.962329 Ba\n0.290465 0.781794 0.037671 Ba\n0.732407 0.522621 0.561635 Ba\n0.267593 0.477379 0.438365 Ba\n0.226620 0.934451 0.630378 Ba\n0.773380 0.065549 0.369622 Ba\n0.757362 0.862584 0.749191 Ru\n0.242638 0.137416 0.250809 Ru\n0.970596 0.726592 0.602482 N\n0.029404 0.273408 0.397518 N\n0.969370 0.834102 0.882900 N\n0.030630 0.165898 0.117100 N\n0.671887 0.635060 0.849265 N\n0.328113 0.364940 0.150735 N\n0.445204 0.865025 0.331582 N\n0.554796 0.134975 0.668418 N\n",
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{
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"structure_string": "Ba4 Ru4 N8\n1.0\n6.660087 -0.115128 0.000000\n10.621470 5.240007 0.000000\n0.000000 0.000000 8.043269\nBa Ru N\n4 4 8\ndirect\n0.000000 0.155847 0.561975 Ba\n0.000000 0.844153 0.438025 Ba\n0.000000 0.344153 0.061975 Ba\n0.000000 0.655847 0.938025 Ba\n0.000000 0.437867 0.628775 Ru\n0.000000 0.562133 0.371225 Ru\n0.000000 0.062133 0.128775 Ru\n0.000000 0.937867 0.871225 Ru\n0.000000 0.117617 0.902050 N\n0.000000 0.882383 0.097950 N\n0.000000 0.382383 0.402050 N\n0.000000 0.617617 0.597950 N\n0.500000 0.654089 0.750000 N\n0.500000 0.845911 0.250000 N\n0.500000 0.345911 0.250000 N\n0.500000 0.154089 0.750000 N\n",
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},
{
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"structure_string": "Ba6 Ru2 N6\n1.0\n8.265864 0.000215 0.000000\n-4.132745 7.157673 0.000000\n0.000000 0.000000 5.659966\nBa Ru N\n6 2 6\ndirect\n0.907048 0.636856 0.250000 Ba\n0.729901 0.092997 0.250000 Ba\n0.363030 0.270158 0.250000 Ba\n0.092952 0.363144 0.750000 Ba\n0.270099 0.907003 0.750000 Ba\n0.636970 0.729842 0.750000 Ba\n0.666749 0.333453 0.750000 Ru\n0.333251 0.666547 0.250000 Ru\n0.880785 0.567831 0.750000 N\n0.687095 0.119134 0.750000 N\n0.432125 0.312973 0.750000 N\n0.119215 0.432169 0.250000 N\n0.312905 0.880866 0.250000 N\n0.567875 0.687027 0.250000 N\n",
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],
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},
{
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}
]
}