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"id": "jvasp-66721",
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{
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{
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"structure_string": "Mn6 O4 F8\n1.0\n4.658983 -0.017138 0.008153\n0.226990 5.713715 0.001745\n0.227254 0.375660 7.857675\nMn O F\n6 4 8\ndirect\n0.529034 0.511219 0.001062 Mn\n0.504312 0.829692 0.660076 Mn\n0.457806 0.191689 0.351832 Mn\n0.004704 0.338934 0.674570 Mn\n0.002754 0.648278 0.307234 Mn\n0.985053 0.988943 0.007135 Mn\n0.310087 0.472373 0.220400 O\n0.298904 0.123554 0.572981 O\n0.812618 0.700768 0.098495 O\n0.701093 0.546462 0.768214 O\n0.208878 0.972890 0.236049 F\n0.797368 0.356151 0.439140 F\n0.790181 0.050210 0.772503 F\n0.698671 0.190831 0.122846 F\n0.710401 0.854001 0.426128 F\n0.288122 0.805305 0.887490 F\n0.193935 0.625023 0.543371 F\n0.206065 0.293659 0.910486 F\n",
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"formula_full": "Mn6 O4 F8",
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{
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"updated_at": "2022-09-04T14:37:48.711113Z",
"structure_string": "Nb3 Fe3 B3\n1.0\n3.186214 -5.518685 0.000000\n3.186214 5.518685 0.000000\n0.000000 0.000000 2.974016\nNb Fe B\n3 3 3\ndirect\n-0.000000 0.333367 0.000000 Nb\n0.333367 -0.000000 0.000000 Nb\n0.666632 0.666632 0.000000 Nb\n0.333318 0.333318 0.500001 Fe\n0.666681 -0.000000 0.500001 Fe\n-0.000000 0.666681 0.500001 Fe\n0.000000 0.000000 0.500001 B\n0.666666 0.333332 0.500001 B\n0.333332 0.666666 0.500001 B\n",
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"volume": 104.58847813705839,
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},
{
"id": "jvasp-14907",
"created_at": "2022-09-04T14:36:54.204448Z",
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"structure_string": "Nb3 Fe3 B3\n1.0\n3.186212 -5.518680 -0.000000\n3.186212 5.518680 0.000000\n0.000000 0.000000 2.974018\nNb Fe B\n3 3 3\ndirect\n-0.000000 0.333367 -0.000000 Nb\n0.333367 -0.000000 0.000000 Nb\n0.666633 0.666633 0.000000 Nb\n0.333318 0.333318 0.500000 Fe\n0.666681 -0.000000 0.500000 Fe\n-0.000000 0.666681 0.500000 Fe\n0.000000 0.000000 0.500000 B\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
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{
"id": "jvasp-10498",
"created_at": "2022-09-04T14:36:49.161253Z",
"updated_at": "2022-09-04T14:36:49.161283Z",
"structure_string": "Li2 Ga2 Pd2 F12\n1.0\n2.556874 -4.428636 0.000000\n2.556874 4.428636 -0.000000\n-0.000000 -0.000000 9.235972\nLi Ga Pd F\n2 2 2 12\ndirect\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.333332 0.666666 0.750000 Ga\n0.666666 0.333332 0.250000 Ga\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.011721 0.360987 0.864618 F\n0.360987 0.011721 0.364618 F\n0.349264 0.988277 0.864618 F\n0.349265 0.360987 0.635382 F\n0.639011 0.988277 0.635382 F\n0.650734 0.011721 0.135382 F\n0.360987 0.349265 0.135382 F\n0.988277 0.349264 0.364618 F\n0.988277 0.639011 0.135382 F\n0.011721 0.650734 0.635382 F\n0.639011 0.650733 0.864618 F\n0.650733 0.639011 0.364618 F\n",
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{
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"created_at": "2022-09-04T14:36:21.322981Z",
"updated_at": "2022-09-04T14:36:21.323015Z",
"structure_string": "Li4 Be1 Os1\n1.0\n0.000000 3.266704 3.266704\n3.266704 -0.000000 3.266704\n3.266704 3.266704 -0.000000\nLi Be Os\n4 1 1\ndirect\n0.376013 0.376013 0.376013 Li\n0.376013 0.871959 0.376013 Li\n0.376013 0.376013 0.871959 Li\n0.871959 0.376013 0.376013 Li\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Os\n",
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"formula_full": "Li4 Be1 Os1",
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"spacegroup": 216
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{
"id": "jvasp-92372",
"created_at": "2022-09-04T14:36:12.074484Z",
"updated_at": "2022-09-04T14:36:12.074510Z",
"structure_string": "Mn3 Sn1 N1\n1.0\n3.873103 -0.000000 -0.000000\n0.000000 3.873103 -0.000000\n0.000000 0.000000 3.873103\nMn Sn N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 N\n",
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},
{
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"created_at": "2022-09-04T14:38:13.342676Z",
"updated_at": "2022-09-04T14:38:13.342711Z",
"structure_string": "V1 Ga1 Fe2\n1.0\n3.495086 0.000000 2.017889\n1.165029 3.295199 2.017889\n0.000000 0.000000 4.035779\nV Ga Fe\n1 1 2\ndirect\n0.500001 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n",
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{
"id": "jvasp-112429",
"created_at": "2022-09-04T14:38:40.154584Z",
"updated_at": "2022-09-04T14:38:40.154611Z",
"structure_string": "Li4 Mn6 F16\n1.0\n10.340685 0.000000 0.000000\n-0.000000 4.625428 2.371969\n-0.000000 0.021429 6.327465\nLi Mn F\n4 6 16\ndirect\n0.138921 0.093581 0.352417 Li\n0.638921 0.406419 0.647584 Li\n0.361079 0.593581 0.352417 Li\n0.861079 0.906419 0.647584 Li\n0.141671 0.865153 0.895768 Mn\n0.000000 0.500000 0.500000 Mn\n0.641671 0.634848 0.104233 Mn\n0.858328 0.134847 0.104233 Mn\n0.500000 0.000000 0.500000 Mn\n0.358329 0.365153 0.895768 Mn\n0.192195 0.421745 0.058764 F\n0.042570 0.751063 0.667840 F\n0.561072 0.630984 0.800297 F\n0.061072 0.869017 0.199704 F\n0.542570 0.748938 0.332161 F\n0.317846 0.761820 0.576654 F\n0.807804 0.578255 0.941237 F\n0.957430 0.248938 0.332161 F\n0.457430 0.251063 0.667840 F\n0.938928 0.130984 0.800297 F\n0.438928 0.369017 0.199704 F\n0.817845 0.738181 0.423346 F\n0.182154 0.261820 0.576654 F\n0.692195 0.078255 0.941237 F\n0.682154 0.238181 0.423346 F\n0.307804 0.921745 0.058764 F\n",
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{
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"created_at": "2022-09-04T14:38:16.371506Z",
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{
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}