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{
"id": "jvasp-86155",
"created_at": "2022-09-04T14:35:55.407323Z",
"updated_at": "2022-09-04T14:35:55.407352Z",
"structure_string": "Tc4 Br12\n1.0\n11.285321 0.000000 0.000000\n0.000000 5.922743 0.000000\n0.000000 0.000000 6.532235\nTc Br\n4 12\ndirect\n0.250000 0.030186 0.239249 Tc\n0.250000 0.469814 0.239249 Tc\n0.750000 0.530185 0.760752 Tc\n0.750000 0.969814 0.760752 Tc\n0.750000 0.749999 0.093357 Br\n0.099504 0.749999 0.089092 Br\n0.400496 0.749999 0.089092 Br\n0.082552 0.249999 0.404024 Br\n0.417448 0.249999 0.404024 Br\n0.750000 0.249999 0.459949 Br\n0.250000 0.749999 0.540052 Br\n0.582552 0.749999 0.595976 Br\n0.917448 0.749999 0.595976 Br\n0.599504 0.249999 0.910909 Br\n0.900496 0.249999 0.910909 Br\n0.250000 0.249999 0.906643 Br\n",
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{
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"structure_string": "Sr3 B6 Rh8\n1.0\n5.330994 0.000000 1.735267\n2.665497 5.009000 0.867633\n0.002504 0.000000 9.048739\nSr B Rh\n3 6 8\ndirect\n0.316891 0.000000 0.366218 Sr\n0.500000 0.000000 0.000000 Sr\n0.683108 0.000000 0.633783 Sr\n0.333996 0.671069 0.660940 B\n0.666003 0.328931 0.339060 B\n0.835449 0.329102 0.000000 B\n0.005064 0.328931 0.660940 B\n0.994935 0.671069 0.339060 B\n0.164551 0.670898 -0.000000 B\n0.250000 0.500000 0.500000 Rh\n0.415744 0.500000 0.168512 Rh\n0.912701 0.000000 0.174598 Rh\n0.915744 0.500000 0.168512 Rh\n0.749999 0.500000 0.500000 Rh\n0.084255 0.500000 0.831488 Rh\n0.584255 0.500000 0.831489 Rh\n0.087298 0.000000 0.825403 Rh\n",
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{
"id": "jvasp-86157",
"created_at": "2022-09-04T14:35:52.854184Z",
"updated_at": "2022-09-04T14:35:52.854208Z",
"structure_string": "Dy1 P2 Pt8\n1.0\n3.897531 -0.000021 1.058188\n1.887134 6.011335 0.755933\n-0.023965 -0.010956 7.794455\nDy P Pt\n1 2 8\ndirect\n0.499999 0.499999 0.500000 Dy\n0.058140 0.173175 0.710569 P\n0.941859 0.826824 0.289431 P\n0.217679 0.147891 0.416735 Pt\n0.823050 0.509354 0.844574 Pt\n0.176948 0.490645 0.155425 Pt\n0.168369 0.817154 0.846140 Pt\n0.475198 0.178863 0.870785 Pt\n0.524800 0.821136 0.129215 Pt\n0.782320 0.852107 0.583265 Pt\n0.831629 0.182844 0.153860 Pt\n",
"nsites": 11,
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"elements": [
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"chemical_system": "Dy-P-Pt",
"density": 16.21744010814739,
"density_atomic": 0.06018088783452915,
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"formula_full": "Dy1 P2 Pt8",
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{
"id": "jvasp-86159",
"created_at": "2022-09-04T14:36:02.851669Z",
"updated_at": "2022-09-04T14:36:02.851691Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-8616",
"created_at": "2022-09-04T14:36:31.735215Z",
"updated_at": "2022-09-04T14:36:31.735229Z",
"structure_string": "Sr2 Co1 Br2 O2\n1.0\n3.813710 0.000000 -0.922195\n-0.222997 3.807186 -0.922195\n0.272452 0.288876 9.473551\nSr Co Br O\n2 1 2 2\ndirect\n0.596330 0.596329 0.192658 Sr\n0.403669 0.403672 0.807342 Sr\n0.000000 0.000000 0.000000 Co\n0.178426 0.178427 0.356851 Br\n0.821573 0.821574 0.643147 Br\n0.500001 0.000000 -0.000000 O\n0.999999 0.500001 -0.000001 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:36:07.191558Z",
"updated_at": "2022-09-04T14:36:07.191591Z",
"structure_string": "Ba5 Al5 Pb1\n1.0\n6.118209 -0.000000 0.000000\n-3.059105 5.298525 0.000000\n-0.000000 0.000000 11.157495\nBa Al Pb\n5 5 1\ndirect\n0.666667 0.333333 0.201770 Ba\n0.666667 0.333333 0.798230 Ba\n0.000000 0.000000 0.327831 Ba\n0.000000 0.000000 0.672169 Ba\n0.333333 0.666666 0.000000 Ba\n0.333333 0.666666 0.323694 Al\n0.513760 0.027518 0.500000 Al\n0.513760 0.486240 0.500000 Al\n0.333333 0.666666 0.676305 Al\n0.972482 0.486240 0.500000 Al\n0.000000 0.000000 0.000000 Pb\n",
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"formula_anonymous": "AB5C5",
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"spacegroup": 187
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{
"id": "jvasp-86162",
"created_at": "2022-09-04T14:36:10.989578Z",
"updated_at": "2022-09-04T14:36:10.989599Z",
"structure_string": "Ho2 Sn2 Au2\n1.0\n4.677003 0.000000 0.000000\n-2.338502 4.050404 -0.000000\n-0.000000 -0.000000 7.433530\nHo Sn Au\n2 2 2\ndirect\n0.000000 0.000000 0.748709 Ho\n0.000000 0.000000 0.248709 Ho\n0.333333 0.666666 0.475971 Sn\n0.666667 0.333333 0.975971 Sn\n0.333333 0.666666 0.081420 Au\n0.666667 0.333333 0.581420 Au\n",
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{
"id": "jvasp-86163",
"created_at": "2022-09-04T14:36:20.653673Z",
"updated_at": "2022-09-04T14:36:20.653712Z",
"structure_string": "K2 Fe1 Cu1 C6 N6\n1.0\n6.188275 0.093253 -3.180936\n-1.783955 5.718297 -3.298190\n0.076883 -0.043608 6.969543\nK Fe Cu C N\n2 1 1 6 6\ndirect\n0.211010 0.743700 0.488301 K\n0.788987 0.256300 0.511697 K\n0.500000 0.500001 0.000000 Fe\n0.000002 0.999999 0.000001 Cu\n0.719759 0.721548 0.067181 C\n0.280241 0.278451 0.932817 C\n0.409381 0.323778 0.646497 C\n0.719434 0.345245 0.066295 C\n0.590620 0.676223 0.353504 C\n0.280566 0.654755 0.933703 C\n0.645899 0.785041 0.571895 N\n0.129302 0.144226 0.878364 N\n0.129767 0.734710 0.879693 N\n0.870233 0.265287 0.120304 N\n0.870697 0.855773 0.121633 N\n0.354098 0.214960 0.428105 N\n",
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{
"id": "jvasp-86164",
"created_at": "2022-09-04T14:35:44.504127Z",
"updated_at": "2022-09-04T14:35:44.504145Z",
"structure_string": "Be12 W1\n1.0\n3.896653 0.000000 1.588643\n1.948327 5.094977 0.794321\n0.024847 0.000000 5.512268\nBe W\n12 1\ndirect\n0.000001 0.649350 0.350650 Be\n0.000000 0.500000 -0.000000 Be\n0.649350 0.350651 0.350650 Be\n0.500000 0.211337 0.788663 Be\n0.000001 0.350651 0.649350 Be\n0.500000 -0.000000 0.500000 Be\n0.350651 0.649350 0.649349 Be\n0.288664 0.211337 0.211336 Be\n0.500000 0.788664 0.211336 Be\n0.000000 -0.000000 0.500000 Be\n0.711337 0.788664 0.788663 Be\n0.500000 0.500000 -0.000000 Be\n0.000000 0.000000 0.000000 W\n",
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"created_at": "2022-09-04T14:35:52.567361Z",
"updated_at": "2022-09-04T14:35:52.567377Z",
"structure_string": "Os4 N8\n1.0\n4.934389 0.000000 0.000000\n0.000000 4.570926 -1.898545\n0.000000 0.037094 4.985573\nOs N\n4 8\ndirect\n0.497246 0.231632 0.720468 Os\n0.502755 0.768368 0.279530 Os\n0.997246 0.768367 0.779530 Os\n0.002754 0.231633 0.220469 Os\n0.401605 0.806329 0.694100 N\n0.098395 0.806329 0.194101 N\n0.089933 0.323335 0.673075 N\n0.410067 0.323336 0.173076 N\n0.910067 0.676665 0.326923 N\n0.589933 0.676664 0.826923 N\n0.901605 0.193671 0.805897 N\n0.598395 0.193671 0.305898 N\n",
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{
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"created_at": "2022-09-04T14:35:54.847412Z",
"updated_at": "2022-09-04T14:35:54.847434Z",
"structure_string": "Zr4 Te4\n1.0\n3.813784 -0.000000 0.000000\n0.000000 7.009831 0.000000\n0.000000 0.000000 7.452255\nZr Te\n4 4\ndirect\n0.749999 0.311697 0.991644 Zr\n0.749999 0.188303 0.491645 Zr\n0.250000 0.688303 0.008355 Zr\n0.250000 0.811697 0.508355 Zr\n0.250000 0.425844 0.708377 Te\n0.749999 0.574156 0.291622 Te\n0.250000 0.074156 0.208378 Te\n0.749999 0.925844 0.791622 Te\n",
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{
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"created_at": "2022-09-04T14:35:59.825975Z",
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"structure_string": "Na6 Zn1 Sn2\n1.0\n5.453021 0.000000 0.000000\n-2.726511 4.976357 -0.700338\n0.000000 0.012227 9.312465\nNa Zn Sn\n6 1 2\ndirect\n0.474358 0.948716 0.280173 Na\n0.171497 0.342994 0.594919 Na\n0.298769 0.597537 0.936390 Na\n0.828503 0.657007 0.405080 Na\n0.525643 0.051285 0.719826 Na\n0.701232 0.402464 0.063610 Na\n0.000000 0.000000 0.000000 Zn\n0.149247 0.298494 0.252574 Sn\n0.850754 0.701508 0.747426 Sn\n",
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}