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{
"id": "jvasp-41200",
"created_at": "2022-09-04T14:37:36.954239Z",
"updated_at": "2022-09-04T14:37:36.954265Z",
"structure_string": "Mn1 V2 Cr1\n1.0\n0.000000 2.885844 2.885844\n2.885844 0.000000 2.885844\n2.885844 2.885844 -0.000000\nMn V Cr\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.250000 0.250000 0.250000 Cr\n",
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{
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"formula_full": "Na6 V2 P2 C2 O14",
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{
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"updated_at": "2022-09-04T14:36:43.957235Z",
"structure_string": "Mn2 Cr2 Si4\n1.0\n4.562257 0.000000 0.000000\n0.000000 4.593507 0.051033\n0.000000 -0.010846 4.587364\nMn Cr Si\n2 2 4\ndirect\n0.363146 0.862244 0.385240 Mn\n0.863147 0.137756 0.614758 Mn\n0.636435 0.632704 0.891238 Cr\n0.136435 0.367296 0.108761 Cr\n0.345651 0.342870 0.591450 Si\n0.845652 0.657130 0.408548 Si\n0.654770 0.149114 0.097292 Si\n0.154769 0.850886 0.902706 Si\n",
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"density": 5.634404412053481,
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"volume": 96.1388091548963,
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"formula_full": "Mn2 Cr2 Si4",
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"spacegroup": 4
},
{
"id": "jvasp-42367",
"created_at": "2022-09-04T14:37:11.523956Z",
"updated_at": "2022-09-04T14:37:11.523981Z",
"structure_string": "Mn8 O4 F12\n1.0\n0.000000 -0.000000 -6.301990\n4.946084 4.946084 -0.000000\n4.626622 -4.626622 3.150996\nMn O F\n8 4 12\ndirect\n-0.000278 -0.000000 -0.000514 Mn\n0.499766 0.000000 -0.000514 Mn\n0.500630 0.000000 0.501262 Mn\n0.751650 0.500000 0.003301 Mn\n0.998349 0.000000 0.496699 Mn\n0.249368 0.500000 0.998737 Mn\n0.750278 0.500000 0.500514 Mn\n0.250234 0.500000 0.500514 Mn\n0.906275 0.500000 0.312550 O\n0.594905 0.500000 0.689810 O\n0.843724 0.000000 0.187450 O\n0.155094 -0.000000 0.810189 O\n0.249702 0.800836 0.499019 F\n0.350332 0.000000 0.200662 F\n0.000684 0.300836 0.000981 F\n0.500297 0.300836 0.000981 F\n0.249702 0.199163 0.499019 F\n0.000684 0.699163 0.000981 F\n0.500297 0.699163 0.000981 F\n0.749315 0.199163 0.499019 F\n0.399668 0.500000 0.299337 F\n0.650031 0.000000 0.800065 F\n0.099967 0.500000 0.699934 F\n0.749315 0.800836 0.499019 F\n",
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"formula_full": "Mn8 O4 F12",
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{
"id": "jvasp-47929",
"created_at": "2022-09-04T14:37:08.880297Z",
"updated_at": "2022-09-04T14:37:08.880317Z",
"structure_string": "Mn6 O3 F9\n1.0\n4.778855 -0.134389 0.000000\n-0.134389 4.778855 0.000000\n0.000000 0.000000 9.480133\nMn O F\n6 3 9\ndirect\n0.955874 0.955874 0.000000 Mn\n0.028942 0.028942 0.332651 Mn\n0.028942 0.028942 0.667349 Mn\n0.492160 0.492160 0.833498 Mn\n0.492160 0.492160 0.166502 Mn\n0.492421 0.492421 0.500000 Mn\n0.320846 0.320846 0.668274 O\n0.663815 0.663815 0.000000 O\n0.320846 0.320846 0.331725 O\n0.823387 0.215324 0.500000 F\n0.192527 0.789868 0.167317 F\n0.215324 0.823387 0.500000 F\n0.192527 0.789868 0.832683 F\n0.268412 0.268412 0.000000 F\n0.716044 0.716044 0.340696 F\n0.716044 0.716044 0.659303 F\n0.789868 0.192527 0.167317 F\n0.789868 0.192527 0.832683 F\n",
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"formula_full": "Mn6 O3 F9",
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{
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"created_at": "2022-09-04T14:37:19.314716Z",
"updated_at": "2022-09-04T14:37:19.314747Z",
"structure_string": "Ca2 V3 O8\n1.0\n4.739230 -0.024394 -1.525509\n-0.876182 5.207472 -2.805266\n-0.030937 -0.014703 6.355201\nCa V O\n2 3 8\ndirect\n0.667668 0.729637 0.459271 Ca\n0.332332 0.270365 0.540728 Ca\n0.500000 0.999999 -0.000001 V\n0.999999 0.726851 -0.000000 V\n0.999999 0.273150 -0.000000 V\n0.040839 0.390968 0.781937 O\n0.959161 0.609032 0.218063 O\n0.095856 0.903437 0.806874 O\n0.904144 0.096563 0.193125 O\n0.393022 0.325003 0.204945 O\n0.393022 0.879944 0.204945 O\n0.606979 0.120056 0.795055 O\n0.606979 0.674998 0.795055 O\n",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:37:10.763936Z",
"updated_at": "2022-09-04T14:37:10.763956Z",
"structure_string": "Na1 Cu2 O3\n1.0\n3.756928 0.000000 0.000000\n-1.878465 5.804219 0.000000\n0.000000 0.000000 3.307033\nNa Cu O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Na\n0.341936 0.683871 0.000000 Cu\n0.658066 0.316130 0.000000 Cu\n0.179414 0.358828 0.000000 O\n0.500000 -0.000000 0.000000 O\n0.820587 0.641172 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:09.185710Z",
"updated_at": "2022-09-04T14:38:09.185726Z",
"structure_string": "Zn1 N1\n1.0\n2.290634 2.290634 0.000000\n2.290634 0.000000 -2.290634\n0.000000 2.290634 -2.290634\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 N\n",
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{
"id": "jvasp-117204",
"created_at": "2022-09-04T14:38:51.472323Z",
"updated_at": "2022-09-04T14:38:51.472342Z",
"structure_string": "Lu1 Ti1 Fe11 C1\n1.0\n4.389552 0.000000 -1.752516\n2.207105 5.966694 -0.845375\n0.017636 0.004025 6.417716\nLu Ti Fe C\n1 1 11 1\ndirect\n0.008418 0.991581 0.008417 Lu\n0.631851 0.368148 0.631851 Ti\n0.724654 0.775345 0.224653 Fe\n0.277117 0.222883 0.777117 Fe\n0.498223 0.781321 0.777768 Fe\n0.498222 0.222232 0.218677 Fe\n0.501416 0.997268 0.500431 Fe\n0.001746 0.997268 0.500431 Fe\n0.501416 0.499568 0.002730 Fe\n0.001746 0.499568 0.002731 Fe\n0.353401 0.646598 0.353401 Fe\n0.000286 0.356376 0.356948 Fe\n0.000286 0.643051 0.643623 Fe\n0.501216 0.998783 0.001215 C\n",
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{
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"created_at": "2022-09-04T14:37:00.743700Z",
"updated_at": "2022-09-04T14:37:00.743728Z",
"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
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{
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"structure_string": "Cu4\n1.0\n2.568258 0.000000 0.000000\n-1.284129 2.224177 0.000000\n0.000000 -0.000000 8.416813\nCu\n4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.333335 0.666668 0.250001 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333335 0.750001 Cu\n",
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{
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"structure_string": "Fe4 O1 F7\n1.0\n0.056711 4.838766 3.080656\n0.056711 4.838766 -3.080656\n-4.838766 -0.056711 -3.080656\nFe O F\n4 1 7\ndirect\n0.743439 0.750001 0.493439 Fe\n0.273614 0.250000 0.523614 Fe\n0.511786 0.479864 0.991651 Fe\n0.971515 0.020136 0.991651 Fe\n0.549093 0.250000 0.799093 O\n0.046217 0.750001 0.796218 F\n0.502841 0.792722 0.701668 F\n0.994389 0.301174 0.701668 F\n0.994389 0.707279 0.295563 F\n0.502841 0.198827 0.295563 F\n0.970746 0.250000 0.220746 F\n0.439135 0.750001 0.189135 F\n",
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"formula_full": "Fe4 O1 F7",
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]
}