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{
"id": "jvasp-85436",
"created_at": "2022-09-04T14:35:53.042084Z",
"updated_at": "2022-09-04T14:35:53.042103Z",
"structure_string": "Eu3 As4 Pd4\n1.0\n4.045944 -0.000013 -0.017449\n-0.000065 4.279764 -0.000108\n-0.052620 -0.000003 12.779708\nEu As Pd\n3 4 4\ndirect\n-0.009646 0.000035 0.801779 Eu\n0.009636 -0.000024 0.198213 Eu\n0.000002 0.499991 0.500002 Eu\n0.498604 0.500026 0.877051 As\n0.419343 0.000037 0.598761 As\n0.501390 0.499990 0.122952 As\n0.580656 -0.000045 0.401247 As\n0.473135 0.499936 0.315149 Pd\n0.526871 0.500050 0.684855 Pd\n-0.000002 0.500001 0.000004 Pd\n0.500003 0.000007 -0.000013 Pd\n",
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{
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"structure_string": "Li2 Ni1 P4 O12\n1.0\n5.102090 0.189836 0.238407\n-2.265140 6.464248 0.182644\n-0.868523 -2.756539 6.462748\nLi Ni P O\n2 1 4 12\ndirect\n0.665048 0.726455 0.569896 Li\n0.334953 0.273546 0.430104 Li\n0.000000 0.000000 0.000000 Ni\n0.341565 0.795427 0.208670 P\n0.860887 0.420194 0.228114 P\n0.139114 0.579807 0.771887 P\n0.658436 0.204574 0.791330 P\n0.285465 0.995334 0.186212 O\n0.934873 0.339811 0.735298 O\n0.029415 0.266259 0.199312 O\n0.696090 0.438294 0.390093 O\n0.303911 0.561707 0.609907 O\n0.714535 0.004667 0.813788 O\n0.065128 0.660189 0.264702 O\n0.660602 0.360293 0.014488 O\n0.339399 0.639708 0.985512 O\n0.598516 0.833454 0.348683 O\n-0.029414 0.733741 0.800687 O\n0.401484 0.166547 0.651317 O\n",
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{
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"updated_at": "2022-09-04T14:36:18.953502Z",
"structure_string": "Ba4 Tl1 Ir1\n1.0\n-0.000000 4.800811 4.800811\n4.800811 0.000000 4.800811\n4.800811 4.800811 0.000000\nBa Tl Ir\n4 1 1\ndirect\n0.127749 0.624084 0.624084 Ba\n0.624084 0.624084 0.624084 Ba\n0.624084 0.127749 0.624084 Ba\n0.624084 0.624084 0.127749 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Ir\n",
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"density_atomic": 0.027112990891745063,
"volume": 221.29613158343167,
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"formula_full": "Ba4 Tl1 Ir1",
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"spacegroup": 216
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{
"id": "jvasp-119322",
"created_at": "2022-09-04T14:38:50.788261Z",
"updated_at": "2022-09-04T14:38:50.788297Z",
"structure_string": "Li1 Mn1 P3 H1 O10\n1.0\n5.883186 0.173034 1.906492\n0.068207 5.885335 1.906492\n0.069843 0.071099 6.439344\nLi Mn P H O\n1 1 3 1 10\ndirect\n0.104693 -0.104694 0.500000 Li\n0.321287 0.678712 -0.000000 Mn\n0.798207 0.559586 0.087641 P\n0.417676 0.582324 0.499999 P\n0.440413 0.201793 0.912357 P\n0.770735 0.229265 -0.000000 H\n0.644694 0.672398 0.933819 O\n0.299924 0.990024 0.000676 O\n0.380667 0.757772 0.627296 O\n0.674006 0.596893 0.338636 O\n0.696898 0.165035 0.876490 O\n0.834965 0.303101 0.123509 O\n0.403106 0.325994 0.661363 O\n0.242228 0.619333 0.372703 O\n0.009975 0.700076 -0.000677 O\n0.327601 0.355305 0.066180 O\n",
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{
"id": "jvasp-119489",
"created_at": "2022-09-04T14:38:51.407319Z",
"updated_at": "2022-09-04T14:38:51.407343Z",
"structure_string": "Na2 Ho2 Ti4 O12\n1.0\n5.291313 -0.000000 0.000000\n0.000000 5.514007 0.000000\n-0.000000 -0.000000 7.586207\nNa Ho Ti O\n2 2 4 12\ndirect\n0.494856 0.714372 0.500000 Na\n0.994855 0.285629 -0.000000 Na\n0.016600 0.177178 0.500000 Ho\n0.516600 0.822823 -0.000000 Ho\n0.511909 0.265309 0.752456 Ti\n0.011909 0.734692 0.252456 Ti\n0.511909 0.265309 0.247544 Ti\n0.011909 0.734692 0.747544 Ti\n0.602601 0.277365 0.500000 O\n0.919421 0.774161 0.500000 O\n0.282826 0.960434 0.708638 O\n0.188525 0.442430 0.303397 O\n0.688525 0.557571 0.196604 O\n0.282826 0.960434 0.291363 O\n0.688525 0.557571 0.803397 O\n0.782826 0.039567 0.208638 O\n0.102601 0.722635 -0.000000 O\n0.188525 0.442430 0.696604 O\n0.782826 0.039567 0.791363 O\n0.419421 0.225839 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:06.633367Z",
"updated_at": "2022-09-04T14:37:06.633392Z",
"structure_string": "Nb2 I4 O2\n1.0\n3.806913 -0.000123 -0.983843\n-0.507361 7.303628 -1.962362\n0.024215 0.012378 7.951207\nNb I O\n2 4 2\ndirect\n0.021378 0.291860 0.001135 Nb\n0.020265 0.708140 0.998865 Nb\n0.847855 0.413749 0.689644 I\n0.872649 0.932076 0.743782 I\n0.128903 0.067925 0.256220 I\n0.158240 0.586252 0.310357 I\n0.507308 0.286916 0.001914 O\n0.505404 0.713085 0.998088 O\n",
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"volume": 221.34971550798164,
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"formula_full": "Nb2 I4 O2",
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"spacegroup": 5
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{
"id": "jvasp-66088",
"created_at": "2022-09-04T14:36:16.813812Z",
"updated_at": "2022-09-04T14:36:16.813834Z",
"structure_string": "Ba4 Bi1 Ir1\n1.0\n-0.000000 4.801239 4.801239\n4.801239 -0.000000 4.801239\n4.801239 4.801239 -0.000000\nBa Bi Ir\n4 1 1\ndirect\n0.123548 0.625484 0.625484 Ba\n0.625484 0.625484 0.625484 Ba\n0.625484 0.123548 0.625484 Ba\n0.625484 0.625484 0.123548 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Ir\n",
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{
"id": "jvasp-52458",
"created_at": "2022-09-04T14:37:34.764180Z",
"updated_at": "2022-09-04T14:37:34.764205Z",
"structure_string": "Be4 P4 O14\n1.0\n3.373145 3.882118 -0.085485\n-3.373145 3.882118 0.085485\n-3.556331 0.000000 8.542766\nBe P O\n4 4 14\ndirect\n0.444975 0.339021 0.934987 Be\n0.339022 0.444974 0.565013 Be\n0.660979 0.555026 0.434987 Be\n0.555026 0.660979 0.065013 Be\n0.240909 0.871712 0.709740 P\n0.128289 0.759091 0.209740 P\n0.871712 0.240909 0.790261 P\n0.759091 0.128288 0.290261 P\n0.546873 0.314121 0.126307 O\n0.038415 0.038415 0.250000 O\n0.325257 0.130449 0.635685 O\n0.691939 0.180505 0.894645 O\n0.685880 0.453127 0.626307 O\n0.314121 0.546873 0.373694 O\n0.453128 0.685879 0.873694 O\n0.674744 0.869551 0.364316 O\n0.961586 0.961586 0.750000 O\n0.819495 0.308062 0.394645 O\n0.180505 0.691938 0.605356 O\n0.130449 0.325256 0.864316 O\n0.308062 0.819495 0.105356 O\n0.869552 0.674744 0.135684 O\n",
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{
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"created_at": "2022-09-04T14:36:12.255100Z",
"updated_at": "2022-09-04T14:36:12.255122Z",
"structure_string": "Y4 Cr4 O12\n1.0\n5.250824 0.000000 0.000000\n0.000000 5.576132 0.000000\n0.000000 0.000000 7.560802\nY Cr O\n4 4 12\ndirect\n0.980873 0.070271 0.250000 Y\n0.519126 0.570271 0.250000 Y\n0.019127 0.929729 0.750000 Y\n0.480873 0.429729 0.750000 Y\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.891120 0.537010 0.750000 O\n0.391121 0.962990 0.250000 O\n0.691431 0.302971 0.444691 O\n0.691431 0.302971 0.055309 O\n0.191432 0.197029 0.944691 O\n0.808568 0.802971 0.444691 O\n0.308568 0.697029 0.555309 O\n0.308568 0.697029 0.944691 O\n0.808568 0.802971 0.055309 O\n0.191432 0.197029 0.555309 O\n0.108879 0.462990 0.250000 O\n0.608879 0.037010 0.750000 O\n",
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{
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"structure_string": "Pb4 Br2 O2 F2\n1.0\n7.084853 0.032862 0.000000\n-4.690223 5.310181 -0.000000\n-0.000000 -0.000000 5.860352\nPb Br O F\n4 2 2 2\ndirect\n0.399671 0.600329 0.221049 Pb\n0.600329 0.399671 0.778950 Pb\n0.100329 0.899671 0.221049 Pb\n0.899670 0.100329 0.778950 Pb\n0.750000 0.250000 0.233882 Br\n0.250000 0.750000 0.766118 Br\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.750000 0.500000 F\n",
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{
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{
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"updated_at": "2022-09-04T14:38:05.436055Z",
"structure_string": "Yb3 Al6 Cu3\n1.0\n-2.735760 4.737776 0.000308\n-5.470915 0.000350 0.000308\n-0.000281 -3.158121 8.541588\nYb Al Cu\n3 6 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.289748 0.855113 0.434633 Yb\n0.710254 0.144885 0.565367 Yb\n0.658243 0.419989 0.238255 Al\n0.658266 0.921746 0.238255 Al\n0.160003 0.420013 0.238255 Al\n0.839999 0.579986 0.761746 Al\n0.341734 0.078251 0.761746 Al\n0.341757 0.580010 0.761746 Al\n0.669649 0.665145 0.004503 Cu\n0.000000 0.500001 0.500000 Cu\n0.330353 0.334853 0.995499 Cu\n",
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}