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{
"id": "jvasp-36807",
"created_at": "2022-09-04T14:38:08.239103Z",
"updated_at": "2022-09-04T14:38:08.239124Z",
"structure_string": "Cu2 Br2 O4\n1.0\n-3.655872 0.110594 -0.003382\n0.194481 6.492100 -0.008295\n-0.067041 -2.206923 -6.105297\nCu Br O\n2 2 4\ndirect\n0.479682 0.102107 0.311849 Cu\n0.979315 0.740796 0.672723 Cu\n0.479154 0.591802 0.821881 Br\n-0.020160 0.251212 0.162843 Br\n0.179828 0.101644 0.554910 O\n0.779312 0.859048 0.312024 O\n0.278637 0.983869 0.672547 O\n0.680270 0.741271 0.429671 O\n",
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{
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"structure_string": "V1 Cu1 O2\n1.0\n1.472526 2.462302 0.755876\n1.493354 -2.440798 -0.780981\n-1.546917 2.563688 -5.337783\nV Cu O\n1 1 2\ndirect\n0.500001 0.000000 -0.000000 V\n-0.000000 -0.000001 0.500000 Cu\n0.105645 0.211289 0.817040 O\n0.894354 0.788708 0.182959 O\n",
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{
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"structure_string": "Ho2 Ni2 Ge4\n1.0\n2.024710 8.360345 0.000000\n-2.024710 8.360345 0.000000\n0.000000 0.000000 4.198606\nHo Ni Ge\n2 2 4\ndirect\n0.891905 0.891905 0.750001 Ho\n0.108094 0.108094 0.250000 Ho\n0.677231 0.677231 0.750001 Ni\n0.322769 0.322769 0.250000 Ni\n0.747532 0.747532 0.250000 Ge\n0.540470 0.540470 0.750001 Ge\n0.459530 0.459530 0.250000 Ge\n0.252468 0.252468 0.750001 Ge\n",
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{
"id": "jvasp-54951",
"created_at": "2022-09-04T14:38:08.234513Z",
"updated_at": "2022-09-04T14:38:08.234542Z",
"structure_string": "Fe8 Ni4 P4\n1.0\n4.133371 0.000000 1.440290\n2.066686 6.367871 0.720144\n-0.028658 -0.000000 6.733406\nFe Ni P\n8 4 4\ndirect\n0.876977 0.816281 0.972540 Fe\n0.345642 0.667832 0.609179 Fe\n0.306742 0.027460 0.816281 Fe\n0.150484 0.972540 0.183719 Fe\n0.622651 0.332168 0.390821 Fe\n0.665798 0.183719 0.027460 Fe\n0.986526 0.390821 0.667832 Fe\n0.045181 0.609179 0.332168 Fe\n0.923690 0.044215 0.606830 Ni\n0.032095 0.393170 0.044214 Ni\n0.469479 0.606830 0.955785 Ni\n0.574736 0.955785 0.393170 Ni\n0.195725 0.248500 0.334336 P\n0.469939 0.334336 0.751501 P\n0.778560 0.751500 0.665664 P\n0.555777 0.665664 0.248499 P\n",
"nsites": 16,
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{
"id": "jvasp-18268",
"created_at": "2022-09-04T14:38:08.323047Z",
"updated_at": "2022-09-04T14:38:08.323075Z",
"structure_string": "Dy1 In1 Cu2\n1.0\n4.058411 0.000000 2.343125\n1.352804 3.826307 2.343125\n-0.000000 -0.000000 4.686250\nDy In Cu\n1 1 2\ndirect\n0.499999 0.500000 0.499999 Dy\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.749999 0.750001 0.749999 Cu\n",
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"elements": [
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{
"id": "jvasp-38851",
"created_at": "2022-09-04T14:38:04.608388Z",
"updated_at": "2022-09-04T14:38:04.608419Z",
"structure_string": "Li1 Tb1 Tl2\n1.0\n0.000000 3.655711 3.655711\n3.655711 -0.000000 3.655711\n3.655711 3.655711 0.000000\nTb Li Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tb\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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{
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"created_at": "2022-09-04T14:38:04.609529Z",
"updated_at": "2022-09-04T14:38:04.609550Z",
"structure_string": "Li1 N1 O2\n1.0\n3.852807 0.024667 -0.674601\n-1.089624 2.690744 -2.621533\n0.008305 -0.024667 3.911411\nLi N O\n1 1 2\ndirect\n0.583555 -0.000000 0.583554 Li\n0.133916 -0.000000 0.133916 N\n0.203847 0.209093 0.994751 O\n0.785660 0.790905 0.994752 O\n",
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"volume": 40.401667504075746,
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"formula_full": "Li1 N1 O2",
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"spacegroup": 44
},
{
"id": "jvasp-37530",
"created_at": "2022-09-04T14:38:04.609913Z",
"updated_at": "2022-09-04T14:38:04.609933Z",
"structure_string": "Yb1 Pr1 Rh2\n1.0\n0.000000 3.446854 3.446854\n3.446854 -0.000000 3.446854\n3.446854 3.446854 -0.000000\nYb Pr Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250001 0.250001 0.250001 Pr\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
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{
"id": "jvasp-97804",
"created_at": "2022-09-04T14:38:08.186446Z",
"updated_at": "2022-09-04T14:38:08.186473Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.695616 0.000000 0.000000\n0.000000 8.684696 -0.000000\n0.000000 0.000000 9.495653\nTi Mn Si\n12 12 24\ndirect\n0.239634 0.828146 0.453141 Ti\n0.239634 0.171855 0.546859 Ti\n0.760366 0.328146 0.046859 Ti\n0.760366 0.671855 0.953140 Ti\n0.760366 0.171855 0.546859 Ti\n0.760366 0.828146 0.453141 Ti\n0.239634 0.671855 0.953140 Ti\n0.239634 0.328146 0.046859 Ti\n0.000000 0.331107 0.320638 Ti\n0.000000 0.668893 0.679362 Ti\n0.000000 0.831107 0.179362 Ti\n0.000000 0.168893 0.820638 Ti\n0.243692 0.500000 0.500000 Mn\n0.248167 0.584415 0.246861 Mn\n0.248167 0.415586 0.753139 Mn\n0.751833 0.084415 0.253139 Mn\n0.751833 0.915586 0.746861 Mn\n0.751833 0.415586 0.753139 Mn\n0.751833 0.584415 0.246861 Mn\n0.248167 0.915586 0.746861 Mn\n0.243692 0.000000 0.000000 Mn\n0.756309 0.500000 0.500000 Mn\n0.248167 0.084415 0.253139 Mn\n0.756309 0.000000 0.000000 Mn\n0.500000 0.037001 0.377065 Si\n0.654969 0.331777 0.317725 Si\n0.000000 0.462269 0.879224 Si\n0.000000 0.537731 0.120776 Si\n0.000000 0.962270 0.620776 Si\n0.000000 0.037731 0.379224 Si\n0.000000 0.370433 0.602715 Si\n0.000000 0.629567 0.397285 Si\n0.000000 0.870434 0.897285 Si\n0.500000 0.374357 0.595715 Si\n0.500000 0.625644 0.404285 Si\n0.345031 0.168223 0.817724 Si\n0.500000 0.874357 0.904285 Si\n0.500000 0.462999 0.877065 Si\n0.500000 0.537001 0.122935 Si\n0.500000 0.962999 0.622935 Si\n0.000000 0.129567 0.102715 Si\n0.345031 0.331777 0.317725 Si\n0.654969 0.831778 0.182275 Si\n0.345031 0.831778 0.182275 Si\n0.654969 0.168223 0.817724 Si\n0.654969 0.668223 0.682275 Si\n0.500000 0.125643 0.095715 Si\n0.345031 0.668223 0.682275 Si\n",
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"volume": 634.6332844113552,
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"formula_full": "Ti12 Mn12 Si24",
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{
"id": "jvasp-41409",
"created_at": "2022-09-04T14:38:08.837369Z",
"updated_at": "2022-09-04T14:38:08.837390Z",
"structure_string": "Lu1 Mg1 Cd2\n1.0\n-0.000000 3.538095 3.538095\n3.538095 -0.000000 3.538095\n3.538095 3.538095 -0.000000\nLu Mg Cd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Lu\n0.749998 0.749998 0.749998 Mg\n0.499998 0.499998 0.499998 Cd\n0.000000 0.000000 0.000000 Cd\n",
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],
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{
"id": "jvasp-37792",
"created_at": "2022-09-04T14:38:14.903523Z",
"updated_at": "2022-09-04T14:38:14.903542Z",
"structure_string": "Li2 Pm1 Ge1\n1.0\n0.000000 3.279433 3.279433\n3.279433 -0.000000 3.279433\n3.279433 3.279433 0.000000\nLi Pm Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.500001 0.500001 Li\n0.749999 0.749999 0.749999 Pm\n0.250001 0.250001 0.250001 Ge\n",
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{
"id": "jvasp-109565",
"created_at": "2022-09-04T14:38:28.214713Z",
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"structure_string": "Mg1 Mn1 Pd2\n1.0\n3.833401 -0.000000 2.213215\n1.277800 3.614165 2.213215\n-0.000000 -0.000000 4.426431\nMg Mn Pd\n1 1 2\ndirect\n0.500000 0.500001 0.500001 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.750001 Pd\n",
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}