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"id": "jvasp-117868",
"created_at": "2022-09-04T14:38:53.163267Z",
"updated_at": "2022-09-04T14:38:53.163301Z",
"structure_string": "Pb2 Br2\n1.0\n3.929330 0.000000 0.000000\n0.000000 3.929330 0.000000\n-0.000000 0.000000 7.953610\nPb Br\n2 2\ndirect\n0.000000 0.000000 0.634681 Pb\n0.500000 0.500000 0.365319 Pb\n0.000000 0.000000 0.164221 Br\n0.500000 0.500000 0.835779 Br\n",
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{
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{
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"elements": [
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{
"id": "jvasp-28929",
"created_at": "2022-09-04T14:37:42.339477Z",
"updated_at": "2022-09-04T14:37:42.339510Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.348445 0.000000 -0.000000\n-1.674222 2.899832 0.000001\n-0.000000 0.000005 37.949740\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333354 0.666709 0.707785 Te\n0.333355 0.666712 0.607257 Te\n0.666663 0.333328 0.281785 Mo\n0.333313 0.666625 0.093966 W\n0.333310 0.666620 0.469609 W\n0.666689 0.333380 0.657574 W\n0.666647 0.333296 0.049926 Se\n0.666639 0.333279 0.425429 Se\n0.666648 0.333298 0.138097 Se\n0.666647 0.333295 0.513741 Se\n0.333362 0.666725 0.321848 S\n0.333361 0.666724 0.241732 S\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.032565401230158594,
"volume": 368.4892415477713,
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"formula_full": "Te2 Mo1 W3 Se4 S2",
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{
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"created_at": "2022-09-04T14:36:45.061675Z",
"updated_at": "2022-09-04T14:36:45.061703Z",
"structure_string": "Ge1 Sb2 Te4\n1.0\n4.263871 -0.013424 12.699717\n2.063903 3.731097 12.699717\n-0.022848 -0.013424 13.396376\nGe Sb Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ge\n0.858775 0.858780 0.858778 Sb\n0.141222 0.141223 0.141222 Sb\n0.569929 0.569932 0.569931 Te\n0.430068 0.430070 0.430069 Te\n0.708262 0.708266 0.708264 Te\n0.291736 0.291737 0.291736 Te\n",
"nsites": 7,
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"density": 6.385234118928449,
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"volume": 214.95455692378445,
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:38:53.581022Z",
"updated_at": "2022-09-04T14:38:53.581035Z",
"structure_string": "Sn7 C1\n1.0\n6.263036 -0.000000 0.000000\n-0.000000 6.263036 0.000000\n-0.000000 0.000000 6.263036\nSn C\n7 1\ndirect\n0.214456 0.214456 0.714456 Sn\n0.000000 0.500000 0.000000 Sn\n0.214456 0.785545 0.285545 Sn\n0.500000 0.000000 0.000000 Sn\n0.785545 0.214456 0.285545 Sn\n0.500000 0.500000 0.500000 Sn\n0.785545 0.785545 0.714456 Sn\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-78673",
"created_at": "2022-09-04T14:37:08.922447Z",
"updated_at": "2022-09-04T14:37:08.922468Z",
"structure_string": "In2 Bi2\n1.0\n5.225977 -0.000000 -0.000000\n0.000000 4.848228 -0.000000\n0.000000 0.000000 4.848228\nIn Bi\n2 2\ndirect\n0.499787 0.750000 0.750000 In\n0.500214 0.250000 0.250000 In\n0.000000 0.250000 0.750000 Bi\n0.000000 0.750000 0.250000 Bi\n",
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"elements": [
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"volume": 122.83823420891737,
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{
"id": "jvasp-28947",
"created_at": "2022-09-04T14:38:08.689394Z",
"updated_at": "2022-09-04T14:38:08.689411Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348727 -0.000000 0.000002\n-1.674364 2.900075 0.000000\n0.000019 0.000015 37.947006\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333357 0.666712 0.331846 Te\n0.333355 0.666708 0.231654 Te\n0.333317 0.666631 0.469707 Mo\n0.666688 0.333374 0.281759 Mo\n0.333315 0.666627 0.093937 W\n0.666687 0.333373 0.657525 W\n0.333352 0.666701 0.701535 Se\n0.666648 0.333293 0.425774 Se\n0.666647 0.333292 0.513661 Se\n0.333355 0.666708 0.613334 Se\n0.666647 0.333291 0.053888 S\n0.666648 0.333292 0.134126 S\n",
"nsites": 12,
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"elements": [
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{
"id": "jvasp-78852",
"created_at": "2022-09-04T14:36:36.488702Z",
"updated_at": "2022-09-04T14:36:36.488727Z",
"structure_string": "Ce1 Se2\n1.0\n-4.130270 -0.000000 1.143485\n-2.223424 3.663752 -0.000000\n-3.643593 0.295350 -5.129654\nCe Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.749778 0.749777 0.750666 Se\n0.250222 0.250222 0.249332 Se\n",
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},
{
"id": "jvasp-123709",
"created_at": "2022-09-04T14:38:55.311437Z",
"updated_at": "2022-09-04T14:38:55.311455Z",
"structure_string": "Sm1 Se2\n1.0\n2.201075 -3.723806 -0.607701\n2.124375 3.679523 -0.000000\n-0.732682 0.423014 5.892105\nSm Se\n1 2\ndirect\n-0.000000 0.333354 0.166667 Sm\n0.771350 0.718997 0.431895 Se\n0.228653 -0.052351 0.901440 Se\n",
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{
"id": "jvasp-54807",
"created_at": "2022-09-04T14:37:44.897678Z",
"updated_at": "2022-09-04T14:37:44.897705Z",
"structure_string": "K1 Br1\n1.0\n3.945907 -0.000000 0.000000\n-0.000000 3.945907 -0.000000\n-0.000000 0.000000 3.945907\nK Br\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Br\n",
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{
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"created_at": "2022-09-04T14:38:43.747309Z",
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"structure_string": "Pb1 S2\n1.0\n5.174990 0.000000 0.000000\n0.000000 5.500238 0.000000\n0.000000 0.000000 3.237803\nPb S\n1 2\ndirect\n0.000000 0.450693 0.000000 Pb\n0.195974 0.950654 0.000000 S\n0.804026 0.950654 0.000000 S\n",
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