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{
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{
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{
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"structure_string": "Ta3 Mo3 N4\n1.0\n3.049746 0.000000 -0.000000\n-0.000000 3.049746 0.000000\n-0.000000 0.000000 12.663555\nTa Mo N\n3 3 4\ndirect\n0.000000 0.000000 0.645922 Ta\n0.000000 0.000000 0.351747 Ta\n0.500001 0.500001 0.852846 Ta\n0.000000 0.000000 0.004378 Mo\n0.500001 0.500001 0.499459 Mo\n0.500001 0.500001 0.147272 Mo\n0.500001 0.500001 0.323001 N\n0.000000 0.000000 0.826179 N\n0.000000 0.000000 0.173299 N\n0.500001 0.500001 0.675894 N\n",
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{
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"created_at": "2022-09-04T14:36:55.824430Z",
"updated_at": "2022-09-04T14:36:55.824455Z",
"structure_string": "Ta3 Ir1\n1.0\n3.967850 -0.000000 2.290839\n1.322617 3.740925 2.290839\n-0.000000 -0.000000 4.581679\nTa Ir\n3 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750001 0.749999 0.750000 Ta\n0.500001 0.499999 0.500000 Ta\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "jvasp-119140",
"created_at": "2022-09-04T14:38:44.515288Z",
"updated_at": "2022-09-04T14:38:44.515320Z",
"structure_string": "Ta3 In2 S6\n1.0\n5.512353 0.015841 6.850817\n2.425065 4.950287 6.850817\n0.025319 0.015841 8.793127\nTa In S\n3 2 6\ndirect\n0.333127 0.333127 0.333128 Ta\n0.666872 0.666873 0.666874 Ta\n0.000000 0.000000 0.000000 Ta\n0.156954 0.156954 0.156955 In\n0.843045 0.843046 0.843047 In\n0.398639 0.728300 0.065700 S\n0.065699 0.398640 0.728300 S\n0.728299 0.065699 0.398641 S\n0.271700 0.601360 0.934302 S\n0.934300 0.271700 0.601361 S\n0.601359 0.934301 0.271702 S\n",
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{
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"created_at": "2022-09-04T14:37:44.537166Z",
"updated_at": "2022-09-04T14:37:44.537195Z",
"structure_string": "Ta6 Ga4\n1.0\n6.883577 -0.000000 0.000000\n0.000000 6.883577 0.000000\n-0.000000 -0.000000 3.517642\nTa Ga\n6 4\ndirect\n0.824418 0.675582 0.500000 Ta\n0.324418 0.824418 0.500000 Ta\n0.175582 0.324418 0.500000 Ta\n0.675582 0.175582 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.126099 0.626100 0.000000 Ga\n0.626100 0.873901 0.000000 Ga\n0.373901 0.126099 0.000000 Ga\n0.873901 0.373901 0.000000 Ga\n",
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{
"id": "jvasp-117002",
"created_at": "2022-09-04T14:38:47.793553Z",
"updated_at": "2022-09-04T14:38:47.793570Z",
"structure_string": "Ta6 Cu4 S12\n1.0\n8.898206 -0.004240 0.000000\n-8.258252 3.313513 0.000000\n0.000000 0.000000 13.116591\nTa Cu S\n6 4 12\ndirect\n0.278341 0.721658 0.248937 Ta\n0.609163 0.390837 0.250700 Ta\n0.943378 0.056623 0.250471 Ta\n0.721659 0.278341 0.748937 Ta\n0.056622 0.943377 0.750471 Ta\n0.390837 0.609162 0.750700 Ta\n0.279483 0.720516 0.034645 Cu\n0.053546 0.946453 0.964969 Cu\n0.720517 0.279483 0.534645 Cu\n0.946454 0.053547 0.464969 Cu\n0.278080 0.721919 0.866459 S\n0.392092 0.607907 0.129378 S\n0.054398 0.945601 0.132627 S\n0.718387 0.281613 0.129088 S\n0.384838 0.615161 0.371847 S\n0.281613 0.718386 0.629088 S\n0.721920 0.278080 0.366459 S\n0.945602 0.054398 0.632627 S\n0.607908 0.392092 0.629378 S\n0.615162 0.384838 0.871847 S\n0.057796 0.942203 0.370880 S\n0.942204 0.057796 0.870880 S\n",
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{
"id": "jvasp-102565",
"created_at": "2022-09-04T14:36:49.099758Z",
"updated_at": "2022-09-04T14:36:49.099782Z",
"structure_string": "Ta3 Cu1\n1.0\n3.679150 -0.016531 -3.463586\n-0.697758 3.612417 -3.463586\n0.013706 0.016531 5.052958\nTa Cu\n3 1\ndirect\n0.750000 0.250000 0.500000 Ta\n0.250000 0.750001 0.500000 Ta\n0.500000 0.500001 -0.000001 Ta\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-59509",
"created_at": "2022-09-04T14:37:11.766927Z",
"updated_at": "2022-09-04T14:37:11.766949Z",
"structure_string": "Ta12 Co12 C4\n1.0\n6.914364 0.000000 3.992010\n2.304788 6.518924 3.992010\n-0.000000 -0.000000 7.984019\nTa Co C\n12 12 4\ndirect\n0.324313 0.324313 0.925687 Ta\n0.925687 0.925686 0.324314 Ta\n0.925686 0.324313 0.324314 Ta\n0.074313 0.675686 0.675687 Ta\n0.324313 0.925686 0.925687 Ta\n0.675686 0.074313 0.675687 Ta\n0.675687 0.675686 0.074313 Ta\n0.074313 0.074313 0.675687 Ta\n0.074313 0.675686 0.074313 Ta\n0.324313 0.925686 0.324313 Ta\n0.925686 0.324313 0.925687 Ta\n0.675686 0.074313 0.074313 Ta\n0.295871 0.612388 0.295871 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.295870 0.295870 0.295871 Co\n0.704130 0.704129 0.387611 Co\n0.704129 0.387611 0.704130 Co\n0.387611 0.704129 0.704130 Co\n0.704130 0.704129 0.704130 Co\n0.612389 0.295870 0.295871 Co\n0.295870 0.295870 0.612389 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n",
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{
"id": "jvasp-110537",
"created_at": "2022-09-04T14:38:39.257183Z",
"updated_at": "2022-09-04T14:38:39.257207Z",
"structure_string": "Ta3 Co2 Mo1\n1.0\n4.832128 0.007577 3.685027\n2.946635 3.829077 1.231941\n0.000522 -0.001058 4.916968\nTa Co Mo\n3 2 1\ndirect\n0.841442 0.158558 0.841443 Ta\n0.660195 0.660400 0.339602 Ta\n0.339600 0.339804 0.660197 Ta\n0.749739 0.750261 0.749741 Co\n0.249740 0.250260 0.249740 Co\n0.159279 0.840720 0.159281 Mo\n",
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{
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"created_at": "2022-09-04T14:37:08.093913Z",
"updated_at": "2022-09-04T14:37:08.093930Z",
"structure_string": "Ta12 Br28\n1.0\n9.721871 0.014116 0.000000\n-0.617668 9.702240 0.000000\n0.000000 0.000000 11.636650\nTa Br\n12 28\ndirect\n0.546616 0.337314 0.107857 Ta\n0.374091 0.374092 0.911043 Ta\n0.874091 0.874092 0.588957 Ta\n0.625908 0.625909 0.088957 Ta\n0.337314 0.546616 0.107857 Ta\n0.125908 0.125909 0.411043 Ta\n0.046616 0.837314 0.392143 Ta\n0.453384 0.662686 0.892143 Ta\n0.662686 0.453384 0.892143 Ta\n0.837314 0.046617 0.392143 Ta\n0.162686 0.953384 0.607857 Ta\n0.953384 0.162686 0.607857 Ta\n0.719784 0.470118 0.247767 Br\n0.470118 0.719784 0.247767 Br\n0.029882 0.780216 0.747767 Br\n0.219784 0.970118 0.252233 Br\n0.280216 0.529882 0.752233 Br\n0.529882 0.280216 0.752233 Br\n0.970118 0.219785 0.252233 Br\n0.780216 0.029882 0.747767 Br\n0.106763 0.606763 0.250000 Br\n0.743789 0.256211 0.500000 Br\n0.393236 0.893237 0.750000 Br\n0.893236 0.393237 0.750000 Br\n0.606763 0.106764 0.250000 Br\n0.137975 0.388728 0.013503 Br\n0.362025 0.111273 0.513503 Br\n0.888727 0.637975 0.486497 Br\n0.611272 0.862025 0.986497 Br\n0.243789 0.756211 0.000000 Br\n0.862025 0.611273 0.986497 Br\n0.111272 0.362025 0.513503 Br\n0.388728 0.137975 0.013503 Br\n0.358903 0.358903 0.270393 Br\n0.141097 0.141097 0.770393 Br\n0.858903 0.858904 0.229607 Br\n0.641097 0.641097 0.729607 Br\n0.756210 0.243790 0.000000 Br\n0.637975 0.888728 0.486497 Br\n0.256210 0.743790 0.500000 Br\n",
"nsites": 40,
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"elements": [
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"volume": 1097.715969861306,
"volume_molar": 16.526500212511753,
"formula_full": "Ta12 Br28",
"formula_reduced": "Ta3Br7",
"formula_anonymous": "A3B7",
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},
{
"id": "jvasp-29259",
"created_at": "2022-09-04T14:37:39.478302Z",
"updated_at": "2022-09-04T14:37:39.478316Z",
"structure_string": "Ta12 Br28\n1.0\n9.721299 0.013872 0.000000\n-0.617874 9.701654 -0.000000\n0.000000 -0.000000 11.636146\nTa Br\n12 28\ndirect\n0.546602 0.337296 0.107850 Ta\n0.374084 0.374083 0.911016 Ta\n0.874084 0.874083 0.588984 Ta\n0.625917 0.625916 0.088984 Ta\n0.337296 0.546602 0.107850 Ta\n0.125916 0.125916 0.411016 Ta\n0.046602 0.837295 0.392150 Ta\n0.453398 0.662704 0.892151 Ta\n0.662704 0.453398 0.892151 Ta\n0.837296 0.046602 0.392150 Ta\n0.162705 0.953398 0.607850 Ta\n0.953398 0.162704 0.607850 Ta\n0.719756 0.470091 0.247800 Br\n0.470092 0.719755 0.247800 Br\n0.029908 0.780244 0.747801 Br\n0.219756 0.970091 0.252200 Br\n0.280245 0.529908 0.752200 Br\n0.529908 0.280244 0.752200 Br\n0.970092 0.219755 0.252200 Br\n0.780245 0.029908 0.747801 Br\n0.106720 0.606720 0.250000 Br\n0.743782 0.256217 0.500000 Br\n0.393280 0.893280 0.750000 Br\n0.893280 0.393280 0.750000 Br\n0.606720 0.106720 0.250000 Br\n0.137950 0.388716 0.013473 Br\n0.362050 0.111283 0.513473 Br\n0.888717 0.637949 0.486527 Br\n0.611284 0.862050 0.986527 Br\n0.243783 0.756217 0.000000 Br\n0.862051 0.611283 0.986527 Br\n0.111284 0.362050 0.513473 Br\n0.388717 0.137950 0.013473 Br\n0.358874 0.358874 0.270393 Br\n0.141126 0.141126 0.770393 Br\n0.858874 0.858874 0.229608 Br\n0.641126 0.641126 0.729608 Br\n0.756218 0.243782 0.000000 Br\n0.637950 0.888716 0.486527 Br\n0.256218 0.743782 0.500000 Br\n",
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"formula_full": "Ta12 Br28",
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}
]
}