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{
"id": "jvasp-44274",
"created_at": "2022-09-04T14:36:14.209748Z",
"updated_at": "2022-09-04T14:36:14.209769Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.633984 0.007584 -0.020796\n0.159607 5.460461 -0.052812\n0.154616 0.464820 7.462481\nMn O F\n6 7 5\ndirect\n0.447077 0.488133 0.007353 Mn\n0.522251 0.843878 0.672736 Mn\n0.544416 0.180103 0.323451 Mn\n0.990090 0.319435 0.666542 Mn\n0.984867 0.656305 0.339963 Mn\n-0.001038 0.002004 0.987036 Mn\n0.179300 0.291337 0.896803 O\n0.307891 0.793883 0.904894 O\n0.304399 0.481920 0.240438 O\n0.684789 0.199773 0.092555 O\n0.823536 0.014718 0.767263 O\n0.816418 0.380259 0.433109 O\n0.712126 0.869814 0.432727 O\n0.195216 0.648738 0.569046 F\n0.807086 0.692320 0.104736 F\n0.672314 0.506060 0.778129 F\n0.325171 0.159615 0.551293 F\n0.184097 0.971698 0.231921 F\n",
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{
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"updated_at": "2022-09-04T14:36:14.208567Z",
"structure_string": "Zr1 Be1 Zn1\n1.0\n-1.464899 1.464899 5.276082\n1.464899 -1.464899 5.276082\n1.464899 1.464899 -5.276082\nZr Be Zn\n1 1 1\ndirect\n0.656192 0.656192 0.000000 Zr\n0.982434 0.982434 0.000000 Be\n0.361374 0.361374 0.000000 Zn\n",
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{
"id": "jvasp-92516",
"created_at": "2022-09-04T14:36:14.207850Z",
"updated_at": "2022-09-04T14:36:14.207867Z",
"structure_string": "Ce1 Al1 O3\n1.0\n3.777759 0.000000 0.000000\n0.000000 3.777759 -0.000000\n0.000000 -0.000000 3.777741\nCe Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.6249137180543025,
"density_atomic": 0.09274047734845553,
"volume": 53.913891139608936,
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"formula_full": "Ce1 Al1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-70101",
"created_at": "2022-09-04T14:36:14.205384Z",
"updated_at": "2022-09-04T14:36:14.205404Z",
"structure_string": "Be1 Hg1 Ge4\n1.0\n-0.000000 3.958489 3.958489\n3.958489 -0.000000 3.958489\n3.958489 3.958489 -0.000000\nBe Hg Ge\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Hg\n0.122006 0.625999 0.625999 Ge\n0.625999 0.625999 0.625999 Ge\n0.625999 0.122006 0.625999 Ge\n0.625999 0.625999 0.122006 Ge\n",
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"density": 6.694861939188559,
"density_atomic": 0.04836519324904844,
"volume": 124.05615685445538,
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"formula_full": "Be1 Hg1 Ge4",
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},
{
"id": "jvasp-68676",
"created_at": "2022-09-04T14:36:14.203221Z",
"updated_at": "2022-09-04T14:36:14.203242Z",
"structure_string": "Be1 Cr1 Sn2\n1.0\n-1.960166 1.960166 4.727575\n1.960166 -1.960166 4.727575\n1.960166 1.960166 -4.727575\nBe Cr Sn\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cr\n0.000000 0.000000 0.000000 Sn\n0.250000 0.750001 0.500001 Sn\n",
"nsites": 4,
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"formula_full": "Be1 Cr1 Sn2",
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"spacegroup": 119
},
{
"id": "jvasp-70115",
"created_at": "2022-09-04T14:36:14.199728Z",
"updated_at": "2022-09-04T14:36:14.199757Z",
"structure_string": "Hf1 Be1 Cu1\n1.0\n1.987773 -3.442923 -0.000000\n1.987773 3.442923 0.000000\n0.000000 -0.000000 3.125312\nHf Be Cu\n1 1 1\ndirect\n0.333332 0.666666 0.666664 Hf\n0.000000 0.000000 0.166653 Be\n0.666666 0.333332 0.166681 Cu\n",
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{
"id": "jvasp-51455",
"created_at": "2022-09-04T14:36:14.199234Z",
"updated_at": "2022-09-04T14:36:14.199245Z",
"structure_string": "Ti1 Ga1 Fe2\n1.0\n3.560657 0.000082 2.055872\n1.186930 3.357018 2.055928\n0.000067 0.000117 4.111626\nTi Ga Fe\n1 1 2\ndirect\n0.500001 0.500000 0.500000 Ti\n1.000000 -0.000001 -0.000001 Ga\n0.250004 0.250004 0.250005 Fe\n0.749997 0.749996 0.749993 Fe\n",
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"spacegroup": 225
},
{
"id": "jvasp-92624",
"created_at": "2022-09-04T14:36:14.197965Z",
"updated_at": "2022-09-04T14:36:14.197996Z",
"structure_string": "Tb2 In1 Ni2\n1.0\n0.000000 0.000000 -3.668718\n-3.911399 0.000000 0.000000\n1.955700 7.131062 0.000000\nTb In Ni\n2 1 2\ndirect\n0.500000 0.637926 0.275851 Tb\n0.500000 0.362074 0.724148 Tb\n0.000000 0.000000 0.000000 In\n0.000000 0.801266 0.602530 Ni\n0.000000 0.198734 0.397470 Ni\n",
"nsites": 5,
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],
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"density": 8.925960193639131,
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"volume": 102.32945551326796,
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"formula_full": "Tb2 In1 Ni2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 65
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{
"id": "jvasp-75650",
"created_at": "2022-09-04T14:36:14.188506Z",
"updated_at": "2022-09-04T14:36:14.188527Z",
"structure_string": "As1 Ir2 Rh1\n1.0\n0.000000 3.123354 3.123354\n3.123354 0.000000 3.123354\n3.123354 3.123354 -0.000000\nAs Ir Rh\n1 2 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n0.749999 0.749999 0.749999 Rh\n",
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"formula_full": "As1 Ir2 Rh1",
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},
{
"id": "jvasp-48482",
"created_at": "2022-09-04T14:36:14.180538Z",
"updated_at": "2022-09-04T14:36:14.180563Z",
"structure_string": "Mn6 O8 F4\n1.0\n-4.787887 4.787887 3.008752\n-0.172985 4.550065 -2.913903\n-4.550065 0.172985 -2.913903\nMn O F\n6 8 4\ndirect\n0.838827 0.671085 0.671085 Mn\n0.666667 0.333333 0.333333 Mn\n0.318098 0.641877 0.641877 Mn\n0.166667 0.333333 0.333333 Mn\n0.494505 0.995580 0.995580 Mn\n0.015235 0.024789 0.024789 Mn\n0.014053 0.702709 0.313038 O\n0.014053 0.313038 0.702709 O\n0.666667 0.634155 0.032511 O\n0.319280 0.963955 0.353628 O\n0.953292 0.249774 0.249774 O\n0.319280 0.353628 0.963955 O\n0.666667 0.032511 0.634155 O\n0.380041 0.416892 0.416892 O\n0.692771 0.109225 0.109225 F\n0.314380 0.869984 0.869984 F\n0.640562 0.557442 0.557442 F\n0.018953 0.796680 0.796680 F\n",
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"formula_full": "Mn6 O8 F4",
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{
"id": "jvasp-48396",
"created_at": "2022-09-04T14:36:14.179936Z",
"updated_at": "2022-09-04T14:36:14.179967Z",
"structure_string": "Li5 Ti1 V3 O8\n1.0\n4.074848 -0.000959 -0.000130\n-2.035734 6.156949 0.074127\n-0.000183 -1.991987 6.118572\nLi Ti V O\n5 1 3 8\ndirect\n0.941759 0.896709 0.641720 Li\n0.810490 0.634184 0.008995 Li\n0.172283 0.357839 0.004826 Li\n0.495911 0.005061 0.003768 Li\n0.047109 0.107485 0.359686 Li\n0.277858 0.568841 0.678264 Ti\n0.710746 0.434833 0.338801 V\n0.611806 0.236883 0.674129 V\n0.379121 0.771431 0.325827 V\n0.651604 0.316472 0.005523 O\n0.880205 0.773605 0.324655 O\n0.440567 0.894343 0.664277 O\n0.784203 0.581548 0.682849 O\n0.333421 0.680039 0.997850 O\n0.209230 0.431791 0.333336 O\n0.545302 0.103860 0.336657 O\n0.108557 0.230378 0.679281 O\n",
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{
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"created_at": "2022-09-04T14:36:14.179210Z",
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"structure_string": "Be2 P1 Pd1\n1.0\n3.058115 0.000000 0.000000\n-0.000000 3.058115 -0.000000\n0.000000 0.000000 4.860971\nBe P Pd\n2 1 1\ndirect\n0.000000 0.000000 0.770058 Be\n0.000000 0.000000 0.229941 Be\n0.499999 0.499999 0.000000 P\n0.499999 0.499999 0.500000 Pd\n",
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}