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{
"id": "jvasp-114086",
"created_at": "2022-09-04T14:38:48.198592Z",
"updated_at": "2022-09-04T14:38:48.198626Z",
"structure_string": "Ba2 Te1\n1.0\n4.033238 0.000000 2.301454\n0.000000 4.429012 0.000000\n1.709262 0.000000 10.879712\nBa Te\n2 1\ndirect\n0.045092 0.000000 -0.143701 Ba\n0.221574 0.000000 0.410368 Ba\n0.133334 0.000000 0.133333 Te\n",
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{
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"structure_string": "Pu1 Zr4 C5\n1.0\n3.339541 0.002780 13.577898\n1.647604 2.904814 13.577898\n0.004768 0.002780 13.982554\nPu Zr C\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.596828 0.596827 0.596829 Zr\n0.198960 0.198959 0.198960 Zr\n0.801040 0.801039 0.801041 Zr\n0.403172 0.403171 0.403173 Zr\n0.701771 0.701771 0.701773 C\n0.500000 0.499999 0.500001 C\n0.101030 0.101030 0.101030 C\n0.298228 0.298228 0.298229 C\n0.898970 0.898969 0.898972 C\n",
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{
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"structure_string": "Li2 Br2\n1.0\n3.952426 -0.321994 -0.803995\n-2.005360 -3.421489 0.954184\n0.069554 -0.162816 -6.924498\nLi Br\n2 2\ndirect\n0.924372 0.006467 0.919606 Li\n0.424029 0.505860 0.419653 Li\n0.553675 0.383886 0.044953 Br\n0.053405 0.883326 0.544938 Br\n",
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{
"id": "jvasp-115677",
"created_at": "2022-09-04T14:38:48.209462Z",
"updated_at": "2022-09-04T14:38:48.209498Z",
"structure_string": "Br1 Cl1 O1\n1.0\n4.392251 -0.000000 -0.000000\n-2.196125 3.803801 0.000000\n0.000000 0.000000 3.608165\nBr Cl O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.333332 0.666667 0.000000 Cl\n0.666666 0.333333 0.000000 O\n",
"nsites": 3,
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"elements": [
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"density": 3.618336947587677,
"density_atomic": 0.049765678161883105,
"volume": 60.28251017179511,
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"formula_full": "Br1 Cl1 O1",
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{
"id": "jvasp-114089",
"created_at": "2022-09-04T14:38:48.212154Z",
"updated_at": "2022-09-04T14:38:48.212179Z",
"structure_string": "Ba1 Te2\n1.0\n5.993372 -0.000000 0.000000\n-2.996686 5.190413 0.000000\n-0.000000 0.000000 4.679237\nBa Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Te\n0.666665 0.333333 0.000000 Te\n",
"nsites": 3,
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"elements": [
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"volume": 145.56205994959225,
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"formula_full": "Ba1 Te2",
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{
"id": "jvasp-113667",
"created_at": "2022-09-04T14:38:48.214282Z",
"updated_at": "2022-09-04T14:38:48.214310Z",
"structure_string": "Li2 Br2\n1.0\n3.865781 0.000000 -0.000000\n0.000000 3.865781 0.000000\n-0.000000 0.000000 5.474660\nLi Br\n2 2\ndirect\n0.000000 0.000000 0.249904 Li\n0.500000 0.500000 0.750096 Li\n0.000000 0.000000 0.750030 Br\n0.500000 0.500000 0.249970 Br\n",
"nsites": 4,
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"volume": 81.81475745195489,
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{
"id": "jvasp-117813",
"created_at": "2022-09-04T14:38:48.214825Z",
"updated_at": "2022-09-04T14:38:48.214853Z",
"structure_string": "Rb2 In1 Br1\n1.0\n-2.398984 9.881084 2.321139\n2.398984 -9.881084 2.321139\n2.398984 9.881084 -2.321139\nRb In Br\n2 1 1\ndirect\n0.162440 -0.000000 0.162440 Rb\n0.837559 -0.000000 0.837559 Rb\n0.500000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 Br\n",
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{
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"created_at": "2022-09-04T14:38:48.215073Z",
"updated_at": "2022-09-04T14:38:48.215098Z",
"structure_string": "Ca1 Ge1 O1\n1.0\n6.393160 1.077170 0.000000\n1.568636 3.345798 0.000000\n0.000000 0.000000 3.462254\nCa Ge O\n1 1 1\ndirect\n-0.137409 -0.001023 0.000000 Ca\n0.417465 -0.055699 0.000000 Ge\n0.074415 0.287474 0.000000 O\n",
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"spacegroup": 25
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{
"id": "jvasp-116468",
"created_at": "2022-09-04T14:38:48.216349Z",
"updated_at": "2022-09-04T14:38:48.216365Z",
"structure_string": "Dy2 Ga8 Co1\n1.0\n4.230971 -0.000000 0.000000\n0.000000 4.230971 0.000000\n-0.000000 -0.000000 11.117439\nDy Ga Co\n2 8 1\ndirect\n0.000000 0.000000 0.694623 Dy\n0.000000 0.000000 0.305377 Dy\n0.500000 0.000000 0.883880 Ga\n-0.000000 0.500000 0.883880 Ga\n0.500000 0.000000 0.116120 Ga\n-0.000000 0.500000 0.116120 Ga\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.695601 Ga\n0.500000 0.500000 0.304399 Ga\n0.000000 0.000000 0.000000 Co\n",
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{
"id": "jvasp-116947",
"created_at": "2022-09-04T14:38:48.220266Z",
"updated_at": "2022-09-04T14:38:48.220291Z",
"structure_string": "Li8 Lu8 Sn8\n1.0\n9.235095 0.000000 0.000000\n-4.617548 7.997826 0.000000\n-0.000000 0.000000 7.075681\nLi Lu Sn\n8 8 8\ndirect\n0.166810 0.333621 0.287909 Li\n0.166810 0.833190 0.287909 Li\n0.666378 0.833190 0.287909 Li\n0.833189 0.666379 0.787909 Li\n0.833189 0.166810 0.787909 Li\n0.333621 0.166810 0.787909 Li\n0.333333 0.666667 0.678001 Li\n0.666666 0.333333 0.178001 Li\n0.000000 0.000000 -0.000611 Lu\n0.000000 0.000000 0.499389 Lu\n0.022282 0.511141 0.993376 Lu\n0.488859 0.511141 0.993376 Lu\n0.488859 0.977718 0.993376 Lu\n0.977717 0.488859 0.493376 Lu\n0.511141 0.488859 0.493376 Lu\n0.511141 0.022282 0.493376 Lu\n0.166684 0.333369 0.730933 Sn\n0.166684 0.833316 0.730933 Sn\n0.666631 0.833316 0.730933 Sn\n0.833315 0.666631 0.230933 Sn\n0.833315 0.166684 0.230933 Sn\n0.333369 0.166684 0.230933 Sn\n0.333333 0.666667 0.256954 Sn\n0.666666 0.333333 0.756954 Sn\n",
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{
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"structure_string": "La4 Cu4 I2\n1.0\n4.262148 -0.000000 0.000000\n-2.131075 3.691128 0.000000\n0.000000 0.000000 17.346782\nLa Cu I\n4 4 2\ndirect\n0.000000 0.000000 0.106344 La\n0.000000 0.000000 0.893656 La\n0.000000 0.000000 0.606344 La\n0.000000 0.000000 0.393656 La\n0.333334 0.666667 0.500915 Cu\n0.666667 0.333334 0.499085 Cu\n0.666667 0.333334 0.000915 Cu\n0.333334 0.666667 0.999085 Cu\n0.333334 0.666667 0.250000 I\n0.666667 0.333334 0.750000 I\n",
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{
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"structure_string": "Sr6 Zr6 N10\n1.0\n5.908171 0.008828 -1.194319\n-2.515188 7.449002 -2.904621\n0.028110 -0.035135 9.021639\nSr Zr N\n6 6 10\ndirect\n0.746612 0.438958 0.591817 Sr\n0.253387 0.561042 0.408184 Sr\n0.645801 0.800642 0.898589 Sr\n0.354199 0.199358 0.101412 Sr\n0.728857 0.687080 0.253361 Sr\n0.271142 0.312921 0.746640 Sr\n0.891442 0.132783 0.297614 Zr\n0.332124 0.013292 0.358981 Zr\n0.108557 0.867218 0.702387 Zr\n0.123589 0.684122 0.005614 Zr\n0.876410 0.315879 0.994387 Zr\n0.667876 0.986708 0.641019 Zr\n0.180700 0.666295 0.776528 N\n0.995282 0.093601 0.843779 N\n0.004717 0.906399 0.156222 N\n0.731040 0.737493 0.562928 N\n0.268960 0.262508 0.437072 N\n0.763872 0.502117 0.913325 N\n0.236128 0.497884 0.086675 N\n0.271320 0.899055 0.524413 N\n0.728680 0.100945 0.475587 N\n0.819300 0.333705 0.223472 N\n",
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