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"id": "jvasp-42668",
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"structure_string": "Sr4 Ca4 I16\n1.0\n0.000000 7.994232 0.007449\n7.818407 0.000000 0.000000\n0.000000 -4.648660 -16.183599\nSr Ca I\n4 4 16\ndirect\n0.278451 0.054950 0.842525 Sr\n0.278451 0.445050 0.342525 Sr\n0.721549 0.554951 0.657475 Sr\n0.721549 0.945050 0.157475 Sr\n0.198541 0.337393 0.595863 Ca\n0.198541 0.162607 0.095863 Ca\n0.801459 0.837393 0.904137 Ca\n0.801459 0.662607 0.404137 Ca\n0.948181 0.295559 0.419062 I\n0.948181 0.204441 0.919062 I\n0.537062 0.604638 0.233274 I\n0.509861 0.747538 0.480670 I\n0.537062 0.895362 0.733274 I\n0.490139 0.247538 0.019330 I\n0.509861 0.752462 0.980670 I\n0.051819 0.795559 0.080938 I\n0.490139 0.252462 0.519330 I\n0.462938 0.395362 0.766726 I\n0.047723 0.676173 0.819737 I\n0.051819 0.704441 0.580938 I\n0.952276 0.323827 0.180263 I\n0.952277 0.176173 0.680263 I\n0.462938 0.104638 0.266726 I\n0.047723 0.823827 0.319737 I\n",
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{
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"structure_string": "Sr1 Be1 Pb4\n1.0\n0.000000 4.586316 4.586316\n4.586316 0.000000 4.586316\n4.586316 4.586316 0.000000\nSr Be Pb\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.125601 0.624800 0.624800 Pb\n0.624800 0.624800 0.624800 Pb\n0.624800 0.125601 0.624800 Pb\n0.624800 0.624800 0.125601 Pb\n",
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{
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"created_at": "2022-09-04T14:35:57.778941Z",
"updated_at": "2022-09-04T14:35:57.778950Z",
"structure_string": "Sr4 Zr1 Be1\n1.0\n0.000000 4.863352 4.863352\n4.863352 0.000000 4.863352\n4.863352 4.863352 -0.000000\nSr Zr Be\n4 1 1\ndirect\n0.126107 0.624631 0.624631 Sr\n0.624631 0.624631 0.624631 Sr\n0.624631 0.126107 0.624631 Sr\n0.624631 0.624631 0.126107 Sr\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Be\n",
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"volume": 230.05787710948613,
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"formula_full": "Sr4 Zr1 Be1",
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"spacegroup": 216
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{
"id": "jvasp-108156",
"created_at": "2022-09-04T14:36:07.929501Z",
"updated_at": "2022-09-04T14:36:07.929524Z",
"structure_string": "Ba1 Sn1 F4\n1.0\n4.101096 -0.007918 6.074025\n1.852711 3.658759 6.074025\n-0.012912 -0.007918 7.328888\nBa Sn F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500000 0.499999 Sn\n0.620618 0.620617 0.620616 F\n0.130542 0.130541 0.130541 F\n0.869460 0.869458 0.869457 F\n0.379383 0.379382 0.379382 F\n",
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{
"id": "jvasp-63959",
"created_at": "2022-09-04T14:35:54.480647Z",
"updated_at": "2022-09-04T14:35:54.480666Z",
"structure_string": "Ba4 Ga1 Ge1\n1.0\n0.000000 4.938316 4.938316\n4.938316 -0.000000 4.938316\n4.938316 4.938316 -0.000000\nBa Ga Ge\n4 1 1\ndirect\n0.123103 0.625633 0.625633 Ba\n0.625633 0.625633 0.625633 Ba\n0.625633 0.123103 0.625633 Ba\n0.625633 0.625633 0.123103 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ge\n",
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{
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"updated_at": "2022-09-04T14:36:06.630561Z",
"structure_string": "Ba4 Fe1 Se1\n1.0\n-0.000000 4.851459 4.851459\n4.851459 -0.000000 4.851459\n4.851459 4.851459 -0.000000\nBa Fe Se\n4 1 1\ndirect\n0.124871 0.625043 0.625043 Ba\n0.625043 0.625043 0.625043 Ba\n0.625043 0.124871 0.625043 Ba\n0.625043 0.625043 0.124871 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:35:58.383439Z",
"updated_at": "2022-09-04T14:35:58.383456Z",
"structure_string": "Ti1 Nb1 O4\n1.0\n5.624494 0.225068 -0.000000\n2.663924 4.958738 -0.000000\n-4.144209 -2.591903 2.791622\nTi Nb O\n1 1 4\ndirect\n0.749999 0.250001 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n0.542911 0.042912 0.500000 O\n0.210417 0.210418 0.000000 O\n0.957086 0.457089 0.500000 O\n0.789581 0.789583 0.000000 O\n",
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"spacegroup": 119
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{
"id": "jvasp-43810",
"created_at": "2022-09-04T14:35:54.484790Z",
"updated_at": "2022-09-04T14:35:54.484827Z",
"structure_string": "Li2 Fe2 F8\n1.0\n-3.883309 -0.001926 0.000706\n1.937138 6.100513 0.036695\n-0.000428 -1.859787 -6.518170\nLi Fe F\n2 2 8\ndirect\n0.904633 0.814507 0.810557 Li\n0.088311 0.181348 0.191680 Li\n0.802910 0.610872 0.235645 Fe\n0.190063 0.384988 0.766596 Fe\n0.926374 0.857990 0.121702 F\n0.867676 0.740537 0.511693 F\n0.278414 0.561861 0.165942 F\n0.348551 0.702241 0.795789 F\n0.644403 0.293616 0.206442 F\n0.714544 0.433994 0.836277 F\n0.125306 0.255318 0.490545 F\n0.066573 0.137867 0.880532 F\n",
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{
"id": "jvasp-97791",
"created_at": "2022-09-04T14:36:06.565369Z",
"updated_at": "2022-09-04T14:36:06.565389Z",
"structure_string": "Tb2 Cr2 O8\n1.0\n5.726714 0.001463 -1.658435\n-3.233775 4.726304 -1.658435\n-0.000771 -0.001463 5.962018\nTb Cr O\n2 2 8\ndirect\n0.125000 0.874999 0.250001 Tb\n0.875000 0.125000 0.750001 Tb\n0.375000 0.625000 0.750001 Cr\n0.624999 0.374999 0.250001 Cr\n0.799004 0.732106 0.433105 O\n0.365902 0.799004 0.566897 O\n0.732107 0.799004 0.933104 O\n0.799003 0.365900 0.066897 O\n0.634099 0.200996 0.433105 O\n0.200996 0.267893 0.566897 O\n0.267892 0.200996 0.066897 O\n0.200997 0.634100 0.933105 O\n",
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{
"id": "jvasp-66684",
"created_at": "2022-09-04T14:36:07.921783Z",
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"structure_string": "Ba4 Nb1 Si1\n1.0\n0.000000 4.886705 4.886705\n4.886705 -0.000000 4.886705\n4.886705 4.886705 0.000000\nBa Nb Si\n4 1 1\ndirect\n0.122937 0.625687 0.625687 Ba\n0.625687 0.625687 0.625687 Ba\n0.625687 0.122937 0.625687 Ba\n0.625687 0.625687 0.122937 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Si\n",
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"structure_string": "Ba4 Re1 Ge1\n1.0\n-0.000000 4.737650 4.737650\n4.737650 0.000000 4.737650\n4.737650 4.737650 0.000000\nBa Re Ge\n4 1 1\ndirect\n0.123863 0.625379 0.625379 Ba\n0.625379 0.625379 0.625379 Ba\n0.625379 0.123863 0.625379 Ba\n0.625379 0.625379 0.123863 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Ge\n",
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{
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