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{
"id": "jvasp-16107",
"created_at": "2022-09-04T14:36:47.608325Z",
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"structure_string": "Cr1 Si2\n1.0\n2.898512 0.000000 -1.104509\n-0.420884 2.867792 -1.104509\n0.006002 0.006947 4.371222\nCr Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.662626 0.662626 0.325251 Si\n0.337374 0.337375 0.674748 Si\n",
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{
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"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
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{
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"updated_at": "2022-09-04T14:36:57.640303Z",
"structure_string": "Li3 Ir1 F6\n1.0\n4.811754 -0.000000 2.778068\n1.603918 4.536565 2.778068\n-0.000000 -0.000000 5.556135\nLi Ir F\n3 1 6\ndirect\n0.749999 0.750001 0.750001 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500001 0.500001 Li\n0.000000 0.000000 0.000000 Ir\n0.744055 0.255944 0.255945 F\n0.255944 0.255944 0.744057 F\n0.255944 0.744057 0.744057 F\n0.255944 0.744057 0.255944 F\n0.744055 0.255944 0.744057 F\n0.744055 0.744057 0.255945 F\n",
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"formula_full": "Li3 Ir1 F6",
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{
"id": "jvasp-73398",
"created_at": "2022-09-04T14:35:55.763961Z",
"updated_at": "2022-09-04T14:35:55.763987Z",
"structure_string": "Be2 Ru1 Se1\n1.0\n3.098265 0.000000 0.000000\n0.000000 3.098265 -0.000000\n0.000000 -0.000000 5.053963\nBe Ru Se\n2 1 1\ndirect\n0.000000 0.000000 0.784428 Be\n0.000000 0.000000 0.215571 Be\n0.499999 0.499999 0.000000 Ru\n0.499999 0.499999 0.500000 Se\n",
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{
"id": "jvasp-96665",
"created_at": "2022-09-04T14:35:41.365769Z",
"updated_at": "2022-09-04T14:35:41.365787Z",
"structure_string": "Ta6 Fe16 Si7\n1.0\n6.861847 -0.000000 3.961689\n2.287282 6.469410 3.961689\n-0.000000 -0.000000 7.923377\nTa Fe Si\n6 16 7\ndirect\n0.796826 0.796826 0.203174 Ta\n0.203174 0.796826 0.796826 Ta\n0.203174 0.796826 0.203174 Ta\n0.796826 0.203174 0.796826 Ta\n0.203174 0.203174 0.796826 Ta\n0.796826 0.203174 0.203174 Ta\n0.172923 0.172923 0.481232 Fe\n0.827077 0.827077 0.827077 Fe\n0.827077 0.827077 0.518768 Fe\n0.380257 0.380257 0.380257 Fe\n0.619743 0.619743 0.140772 Fe\n0.140772 0.619743 0.619743 Fe\n0.619743 0.140772 0.619743 Fe\n0.859228 0.380257 0.380257 Fe\n0.380257 0.859228 0.380257 Fe\n0.172923 0.481232 0.172923 Fe\n0.481232 0.172923 0.172923 Fe\n0.619743 0.619743 0.619743 Fe\n0.518768 0.827077 0.827077 Fe\n0.380257 0.380257 0.859228 Fe\n0.172923 0.172923 0.172923 Fe\n0.827077 0.518768 0.827077 Fe\n0.500000 0.000000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 -0.000000 Si\n0.500000 0.500000 0.500000 Si\n",
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"volume": 351.7353568012426,
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{
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"updated_at": "2022-09-04T14:37:08.140425Z",
"structure_string": "Y2 Fe4 O8\n1.0\n5.414823 0.046991 3.056677\n1.806350 5.104862 3.056677\n0.065866 0.046991 6.217656\nY Fe O\n2 4 8\ndirect\n0.627336 0.627335 0.627337 Y\n0.372664 0.372664 0.372665 Y\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.205118 0.774233 0.774235 O\n0.225767 0.225766 0.794884 O\n0.225766 0.794882 0.225767 O\n0.235151 0.235151 0.235151 O\n0.774234 0.774233 0.205119 O\n0.794883 0.225766 0.225767 O\n0.774234 0.205117 0.774235 O\n0.764849 0.764848 0.764851 O\n",
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{
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"created_at": "2022-09-04T14:35:41.032764Z",
"updated_at": "2022-09-04T14:35:41.032791Z",
"structure_string": "Mn2 Nb6 O12\n1.0\n5.823825 0.000000 3.072916\n1.910220 5.884311 3.434879\n-0.011095 0.007959 7.076176\nMn Nb O\n2 6 12\ndirect\n0.747997 -0.000000 0.000000 Mn\n0.252003 -0.000000 0.000000 Mn\n0.223603 0.497376 0.055417 Nb\n0.201068 0.500000 0.500001 Nb\n0.798932 0.500000 0.500001 Nb\n0.223603 0.055417 0.497377 Nb\n0.776397 0.944583 0.502625 Nb\n0.776397 0.502624 0.944584 Nb\n0.646418 0.853581 0.853582 O\n0.353582 0.146419 0.146419 O\n0.143771 0.829841 0.439014 O\n0.412626 0.560987 0.170159 O\n0.143771 0.439013 0.829842 O\n0.587374 0.829841 0.439014 O\n0.856229 0.170159 0.560987 O\n0.587374 0.439013 0.829842 O\n0.856229 0.560987 0.170159 O\n0.412626 0.170159 0.560987 O\n0.858017 0.141984 0.141984 O\n0.141983 0.858016 0.858017 O\n",
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{
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"created_at": "2022-09-04T14:35:50.321314Z",
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"structure_string": "Ca1 Ni5 H1\n1.0\n0.000000 0.000000 -3.955429\n-2.522031 -4.255436 0.000000\n-2.522157 4.255564 0.000000\nCa Ni H\n1 5 1\ndirect\n0.000000 0.002278 0.997728 Ca\n0.000000 0.660683 0.339342 Ni\n0.000000 0.338382 0.661610 Ni\n0.500000 0.502928 0.497069 Ni\n0.500000 0.007842 0.505671 Ni\n0.500000 0.494358 0.992166 Ni\n0.500000 0.857635 0.142413 H\n",
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{
"id": "jvasp-9603",
"created_at": "2022-09-04T14:37:58.149874Z",
"updated_at": "2022-09-04T14:37:58.149907Z",
"structure_string": "Si4 N4 O2\n1.0\n4.893879 -0.000000 0.000000\n0.000000 4.712626 -2.349608\n0.000000 -0.013274 5.265865\nSi N O\n4 4 2\ndirect\n0.728762 0.024405 0.671499 Si\n0.228762 0.975597 0.328500 Si\n0.228762 0.328502 0.975595 Si\n0.728762 0.671500 0.024404 Si\n0.383528 0.092728 0.658982 N\n0.883528 0.907274 0.341017 N\n0.883528 0.341018 0.907272 N\n0.383528 0.658983 0.092727 N\n0.782700 0.783899 0.783897 O\n0.282699 0.216103 0.216102 O\n",
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{
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"created_at": "2022-09-04T14:35:58.156736Z",
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"structure_string": "Be2 Si1 P1\n1.0\n3.209629 0.000000 0.000000\n0.000000 3.209629 0.000000\n0.000000 0.000000 4.710019\nBe Si P\n2 1 1\ndirect\n0.000000 -0.000000 0.751461 Be\n0.000000 -0.000000 0.248540 Be\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 P\n",
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{
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]
}