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{
"id": "jvasp-99558",
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"structure_string": "Ca1 Nd1 Cr1 O4\n1.0\n3.677351 0.025698 -5.491796\n-0.318344 3.663636 -5.491796\n-0.023397 -0.025698 6.609250\nCa Nd Cr O\n1 1 1 4\ndirect\n0.641828 0.641829 0.000000 Ca\n0.359681 0.359681 0.000000 Nd\n0.006911 0.006911 0.000000 Cr\n0.995719 0.495720 0.499999 O\n0.495720 0.995720 0.500000 O\n0.830597 0.830598 0.000001 O\n0.169544 0.169544 0.000000 O\n",
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{
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{
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"structure_string": "Al1 Cu3 Hg1 Se4\n1.0\n5.910992 0.000000 0.000000\n0.000000 5.910992 0.000000\n-0.000000 -0.000000 5.910992\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.235733 0.235733 0.235733 Se\n0.764267 0.764267 0.235733 Se\n0.235733 0.764267 0.764267 Se\n0.764267 0.235733 0.764267 Se\n",
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{
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"created_at": "2022-09-04T14:36:31.828590Z",
"updated_at": "2022-09-04T14:36:31.828622Z",
"structure_string": "Ba1 Tb2 Ni1 O5\n1.0\n3.568672 0.000000 -1.054968\n-0.746499 5.178840 -2.525203\n0.050119 0.031343 6.732946\nTb Ba Ni O\n2 1 1 5\ndirect\n0.201629 0.701629 0.403258 Tb\n0.798370 0.298371 0.596742 Tb\n0.000000 0.000000 0.000000 Ba\n0.500001 0.500001 0.000001 Ni\n-0.000000 0.500001 0.000000 O\n0.350431 0.591889 0.700864 O\n0.649567 0.408111 0.299137 O\n0.649569 0.891026 0.299137 O\n0.350432 0.108974 0.700864 O\n",
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{
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"created_at": "2022-09-04T14:36:33.506392Z",
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"structure_string": "Ce1 Si1 B1 Ir3\n1.0\n5.546452 0.000000 0.000000\n-2.773225 4.803369 -0.000000\n0.000000 0.000000 3.487812\nCe Si B Ir\n1 1 1 3\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.000000 B\n0.160206 0.320410 0.500000 Ir\n0.679590 0.839795 0.500000 Ir\n0.160206 0.839795 0.500000 Ir\n",
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{
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"structure_string": "Rb2 Tl1 In1 Br6\n1.0\n7.056454 0.000000 4.074045\n2.352151 6.652889 4.074045\n0.000000 0.000000 8.148091\nRb Tl In Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 In\n0.766447 0.233553 0.233554 Br\n0.233553 0.233553 0.766447 Br\n0.233553 0.766447 0.766448 Br\n0.233553 0.766447 0.233554 Br\n0.766447 0.233553 0.766448 Br\n0.766446 0.766447 0.233554 Br\n",
"nsites": 10,
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"density_atomic": 0.026142513263199857,
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"formula_full": "Rb2 Tl1 In1 Br6",
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{
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"created_at": "2022-09-04T14:36:38.029552Z",
"updated_at": "2022-09-04T14:36:38.029572Z",
"structure_string": "K2 Na1 Tm1 Cl6\n1.0\n6.406977 -0.000000 3.699070\n2.135659 6.040556 3.699070\n-0.000000 -0.000000 7.398140\nK Na Tm Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tm\n0.754191 0.245809 0.245809 Cl\n0.245809 0.245809 0.754191 Cl\n0.245809 0.754191 0.754191 Cl\n0.245809 0.754191 0.245809 Cl\n0.754191 0.245809 0.754191 Cl\n0.754191 0.754191 0.245809 Cl\n",
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{
"id": "jvasp-48903",
"created_at": "2022-09-04T14:36:12.332484Z",
"updated_at": "2022-09-04T14:36:12.332504Z",
"structure_string": "Li5 Mn1 Cr3 O8\n1.0\n-2.900396 -1.694998 -4.820333\n-5.875406 -0.018954 -0.013465\n2.900396 5.109642 0.013465\nLi Mn Cr O\n5 1 3 8\ndirect\n0.930373 0.930377 0.069625 Li\n0.999997 0.500000 0.000002 Li\n0.499998 1.000000 0.000002 Li\n0.069626 0.069624 0.930375 Li\n0.999997 1.000000 0.500001 Li\n0.500000 0.500001 0.500000 Mn\n-0.000000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.499999 0.500001 -0.000000 Cr\n0.729185 0.258464 0.741535 O\n0.744002 0.744005 0.255997 O\n0.270814 0.741537 0.258465 O\n0.741535 0.741536 0.729185 O\n0.741535 0.270815 0.258464 O\n0.258464 0.729186 0.741536 O\n0.258464 0.258465 0.270815 O\n0.255997 0.255996 0.744003 O\n",
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"structure_string": "Cu4 H6 Cl2 O6\n1.0\n5.766728 0.016922 0.000000\n-0.287365 5.679112 0.000000\n0.000000 0.000000 6.147312\nCu H Cl O\n4 6 2 6\ndirect\n0.995749 0.520617 0.750000 Cu\n0.500001 0.500000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.004252 0.479383 0.250000 Cu\n0.799421 0.191628 0.534980 H\n0.200581 0.808371 0.465020 H\n0.799421 0.191628 0.965020 H\n0.452259 0.165003 0.750000 H\n0.200581 0.808371 0.034980 H\n0.547742 0.834997 0.250000 H\n0.279278 0.113569 0.250000 Cl\n0.720723 0.886430 0.750000 Cl\n0.189592 0.636152 0.005177 O\n0.810410 0.363848 0.505177 O\n0.611104 0.676277 0.250000 O\n0.388897 0.323722 0.750000 O\n0.189592 0.636152 0.494823 O\n0.810410 0.363848 0.994823 O\n",
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"structure_string": "Li14 V2 O10 F2\n1.0\n5.498529 -0.014894 0.012804\n2.705614 4.794354 0.006311\n0.262444 0.077571 10.615456\nLi V O F\n14 2 10 2\ndirect\n0.362847 0.984192 0.756893 Li\n0.368118 0.026849 0.128300 Li\n0.612666 0.384244 0.128123 Li\n0.313163 0.345221 0.933908 Li\n0.345465 0.312874 0.409043 Li\n0.007574 0.349610 0.257984 Li\n0.268708 0.686378 0.266156 Li\n0.702554 0.001075 0.261071 Li\n0.706976 0.290544 0.768847 Li\n0.955231 0.727805 0.758427 Li\n0.668905 0.648877 0.908179 Li\n0.652811 0.669915 0.433139 Li\n0.394241 0.626764 0.630799 Li\n0.996356 0.384907 0.626605 Li\n0.002137 0.985353 0.996236 V\n0.988121 -0.001315 0.496890 V\n0.001372 0.030581 0.169278 O\n0.681815 0.298313 0.952083 O\n0.317048 -0.006576 0.948165 O\n0.357406 0.320191 0.220438 O\n0.987918 0.316405 0.447516 O\n0.302509 0.679986 0.452968 O\n0.679253 0.634684 0.719426 O\n0.697658 0.985674 0.438448 O\n0.032470 -0.000332 0.669668 O\n0.989929 0.694943 0.937053 O\n0.634885 0.681013 0.216892 F\n0.319493 0.355589 0.717221 F\n",
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"structure_string": "Li2 P4 W2 O14\n1.0\n6.469583 -0.048375 -0.000913\n0.951253 6.414168 0.012728\n0.801588 2.621125 6.254191\nLi P W O\n2 4 2 14\ndirect\n0.981487 0.301442 0.174947 Li\n0.018512 0.698558 0.825054 Li\n0.864368 0.778588 0.237905 P\n0.605720 0.646690 0.657608 P\n0.394280 0.353310 0.342393 P\n0.135631 0.221412 0.762095 P\n0.653677 0.094087 0.775099 W\n0.346322 0.905913 0.224901 W\n0.228679 0.376973 0.532187 O\n0.288502 0.224459 0.243579 O\n0.328346 0.057717 0.878046 O\n0.415144 0.595986 0.190312 O\n0.401985 0.772707 0.554220 O\n0.598014 0.227293 0.445780 O\n0.771320 0.623027 0.467814 O\n0.671653 0.942283 0.121955 O\n0.711498 0.775541 0.756421 O\n0.039914 0.376928 0.868981 O\n0.960085 0.623073 0.131020 O\n0.985393 0.072476 0.732695 O\n0.584856 0.404014 0.809688 O\n0.014606 0.927524 0.267306 O\n",
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}