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{
"id": "jvasp-85934",
"created_at": "2022-09-04T14:36:21.892093Z",
"updated_at": "2022-09-04T14:36:21.892114Z",
"structure_string": "Li2 U2 As2 O12\n1.0\n5.021007 -0.003429 -0.651124\n-1.397828 5.203560 0.009631\n0.015470 0.078432 10.107198\nLi U As O\n2 2 2 12\ndirect\n0.953809 0.561533 0.226626 Li\n0.046191 0.438467 0.773374 Li\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.411857 0.015847 0.741312 As\n0.588143 0.984153 0.258688 As\n0.183374 0.824821 0.836995 O\n0.538202 0.172897 0.382077 O\n0.273730 0.858074 0.164093 O\n0.461798 0.827103 0.617923 O\n0.280486 0.256338 0.669688 O\n0.726270 0.141925 0.835908 O\n0.719514 0.743662 0.330312 O\n0.823721 0.502572 0.606806 O\n0.235932 0.310587 0.972481 O\n0.176279 0.497427 0.393194 O\n0.816626 0.175178 0.163005 O\n0.764068 0.689412 0.027520 O\n",
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{
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"structure_string": "Sm2 Fe2 As2 O2\n1.0\n-2.793890 -2.793878 -0.000000\n-2.793890 2.793878 0.000000\n0.000000 -0.000000 -8.285860\nSm Fe As O\n2 2 2 2\ndirect\n0.250000 0.750000 0.141834 Sm\n0.750000 0.250000 0.858166 Sm\n0.250000 0.250000 0.500000 Fe\n0.750000 0.750000 0.500000 Fe\n0.250000 0.750000 0.649140 As\n0.750000 0.250000 0.350860 As\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n",
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"formula_full": "Sm2 Fe2 As2 O2",
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{
"id": "jvasp-56626",
"created_at": "2022-09-04T14:36:34.917717Z",
"updated_at": "2022-09-04T14:36:34.917745Z",
"structure_string": "Ca3 Fe2 Cl2 O5\n1.0\n3.774124 0.000000 -0.610271\n-0.098680 3.772833 -0.610271\n-0.027619 -0.028351 11.804551\nCa Fe Cl O\n3 2 2 5\ndirect\n0.346959 0.346960 0.693920 Ca\n0.653039 0.653040 0.306080 Ca\n0.499999 0.500000 0.000000 Ca\n0.081827 0.081827 0.163653 Fe\n0.918172 0.918172 0.836347 Fe\n0.203711 0.203711 0.407422 Cl\n0.796288 0.796289 0.592578 Cl\n0.410351 0.910351 0.820703 O\n0.910350 0.410351 0.820703 O\n0.589648 0.089648 0.179297 O\n0.089648 0.589648 0.179297 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
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"volume": 167.95605145320698,
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"formula_full": "Ca3 Fe2 Cl2 O5",
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{
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"updated_at": "2022-09-04T14:36:17.581502Z",
"structure_string": "Ce2 Fe1 Se2 O2\n1.0\n0.000000 -3.897523 0.000000\n4.723976 -1.948762 -2.941549\n4.727245 -1.948762 4.098946\nCe Fe Se O\n2 1 2 2\ndirect\n0.309470 0.139650 0.241410 Ce\n0.690529 0.860350 0.758591 Ce\n0.499999 0.500000 0.500000 Fe\n0.059852 0.699942 0.180352 Se\n0.940146 0.300057 0.819648 Se\n0.298391 0.818523 0.584695 O\n0.701608 0.181477 0.415305 O\n",
"nsites": 7,
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"formula_full": "Ce2 Fe1 Se2 O2",
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{
"id": "jvasp-63762",
"created_at": "2022-09-04T14:36:17.501124Z",
"updated_at": "2022-09-04T14:36:17.501151Z",
"structure_string": "Rb3 B12 H12 I1\n1.0\n4.827283 -5.143993 -0.001822\n4.827283 5.143993 -0.001822\n-0.651550 -0.000000 7.024159\nRb B H I\n3 12 12 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.121406 0.121406 0.841311 B\n0.121406 0.841310 0.121406 B\n0.841310 0.121406 0.121406 B\n0.878594 0.158689 0.878594 B\n0.233159 0.060309 0.060309 B\n0.158689 0.878594 0.878594 B\n0.939691 0.939691 0.766841 B\n0.939691 0.766840 0.939692 B\n0.766840 0.939691 0.939692 B\n0.060309 0.060309 0.233160 B\n0.060309 0.233159 0.060309 B\n0.878594 0.878594 0.158690 B\n0.208987 0.208987 0.729672 H\n0.208987 0.729672 0.208987 H\n0.729672 0.208987 0.208987 H\n0.791012 0.270328 0.791013 H\n0.102977 0.102977 0.398921 H\n0.270328 0.791012 0.791013 H\n0.102977 0.398921 0.102977 H\n0.398921 0.102977 0.102977 H\n0.897022 0.601079 0.897023 H\n0.601079 0.897022 0.897023 H\n0.791012 0.791012 0.270328 H\n0.897022 0.897022 0.601080 H\n0.500000 0.500000 0.500000 I\n",
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{
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"created_at": "2022-09-04T14:36:33.127241Z",
"updated_at": "2022-09-04T14:36:33.127262Z",
"structure_string": "Li1 Mg1 Sn1 Pd1\n1.0\n3.980988 -0.000000 2.298424\n1.326996 3.753311 2.298424\n0.000000 0.000000 4.596849\nLi Mg Sn Pd\n1 1 1 1\ndirect\n0.750001 0.750000 0.749998 Li\n0.500001 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.249999 Pd\n",
"nsites": 4,
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"spacegroup": 216
},
{
"id": "jvasp-29191",
"created_at": "2022-09-04T14:36:36.655508Z",
"updated_at": "2022-09-04T14:36:36.655518Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.442599 0.000000 -0.000000\n-1.721299 2.981381 -0.000023\n-0.000000 -0.000290 36.682376\nTe Mo W Se\n4 3 1 4\ndirect\n0.333343 0.666688 0.332381 Te\n0.333377 0.666754 0.707642 Te\n0.333328 0.666657 0.230985 Te\n0.333359 0.666719 0.606292 Te\n0.333310 0.666620 0.094907 Mo\n0.666670 0.333339 0.281686 Mo\n0.666702 0.333404 0.657003 Mo\n0.333318 0.666637 0.469316 W\n0.666640 0.333279 0.050366 Se\n0.666655 0.333307 0.424522 Se\n0.666648 0.333295 0.139537 Se\n0.666650 0.333300 0.514109 Se\n",
"nsites": 12,
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],
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{
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"created_at": "2022-09-04T14:36:21.916874Z",
"updated_at": "2022-09-04T14:36:21.916901Z",
"structure_string": "Li5 Ti2 Cu3 O10\n1.0\n5.063355 -0.020311 -0.003814\n-1.524534 5.323257 0.029322\n-1.745750 -2.262615 7.018643\nLi Ti Cu O\n5 2 3 10\ndirect\n0.214442 0.878867 0.381449 Li\n0.401843 0.318283 0.800311 Li\n0.500000 0.500000 0.500000 Li\n0.598156 0.681717 0.199689 Li\n0.785557 0.121133 0.618551 Li\n0.096207 0.698424 0.691451 Ti\n0.903793 0.301576 0.308549 Ti\n0.698830 0.887187 0.899720 Cu\n0.301169 0.112813 0.100280 Cu\n0.000000 0.500000 -0.000000 Cu\n0.648874 0.327722 0.066093 O\n0.061692 0.031835 0.838615 O\n0.351126 0.672278 0.933907 O\n0.129507 0.332142 0.548958 O\n0.220494 0.527716 0.245824 O\n0.460936 0.872789 0.660399 O\n0.539064 0.127211 0.339601 O\n0.779506 0.472284 0.754176 O\n0.870493 0.667858 0.451042 O\n0.938308 0.968165 0.161385 O\n",
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{
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"created_at": "2022-09-04T14:36:13.550645Z",
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"structure_string": "Li1 Cu1 P1 O4\n1.0\n4.965129 -0.000000 -0.000001\n-2.482564 3.313126 2.482565\n0.000001 -0.000000 4.965129\nLi Cu P O\n1 1 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.750001 0.500001 0.750000 P\n0.698111 0.763105 0.435553 O\n0.801344 0.236896 0.698110 O\n0.435553 0.236896 0.064995 O\n0.064995 0.763105 0.801344 O\n",
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{
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"created_at": "2022-09-04T14:36:33.107802Z",
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"structure_string": "Rb2 In1 Sb1 Cl6\n1.0\n6.796624 -0.000000 3.924033\n2.265542 6.407919 3.924033\n-0.000000 -0.000000 7.848065\nRb In Sb Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.760300 0.239700 0.239700 Cl\n0.239700 0.239700 0.760301 Cl\n0.239699 0.760300 0.760300 Cl\n0.239699 0.760300 0.239700 Cl\n0.760300 0.239700 0.760301 Cl\n0.760299 0.760300 0.239700 Cl\n",
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{
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"created_at": "2022-09-04T14:36:38.542636Z",
"updated_at": "2022-09-04T14:36:38.542653Z",
"structure_string": "K2 Na1 Tl1 Br6\n1.0\n6.808029 -0.000000 3.930617\n2.269343 6.418671 3.930617\n-0.000000 -0.000000 7.861235\nK Na Tl Br\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 Tl\n0.752678 0.247322 0.247322 Br\n0.247322 0.247322 0.752678 Br\n0.247321 0.752678 0.752678 Br\n0.247321 0.752678 0.247322 Br\n0.752678 0.247322 0.752678 Br\n0.752678 0.752678 0.247322 Br\n",
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{
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"created_at": "2022-09-04T14:36:17.534750Z",
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"structure_string": "Ba2 Dy2 Co8 O14\n1.0\n6.266960 -0.000000 0.000000\n-3.133480 5.427347 -0.000000\n-0.000000 -0.000000 10.302249\nBa Dy Co O\n2 2 8 14\ndirect\n0.666667 0.333333 0.507053 Ba\n0.333333 0.666667 0.007053 Ba\n0.666667 0.333333 0.880556 Dy\n0.333333 0.666667 0.380556 Dy\n0.000000 0.000000 0.426707 Co\n0.000000 0.000000 0.926707 Co\n0.173070 0.826931 0.685702 Co\n0.346139 0.173070 0.185701 Co\n0.826930 0.653862 0.185701 Co\n0.173070 0.346139 0.685702 Co\n0.653862 0.826931 0.685702 Co\n0.826930 0.173070 0.185701 Co\n0.999961 0.499980 0.251639 O\n0.840023 0.159978 0.002414 O\n0.499980 0.999961 0.751639 O\n0.000040 0.500021 0.751639 O\n0.500020 0.499980 0.251639 O\n0.000000 0.000000 0.246521 O\n0.000000 0.000000 0.746521 O\n0.159978 0.840023 0.502414 O\n0.319955 0.159978 0.002414 O\n0.840023 0.680045 0.002414 O\n0.159978 0.319955 0.502414 O\n0.680045 0.840023 0.502414 O\n0.500020 0.000039 0.251639 O\n0.499980 0.500021 0.751639 O\n",
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]
}