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{
"id": "jvasp-45927",
"created_at": "2022-09-04T14:38:09.289241Z",
"updated_at": "2022-09-04T14:38:09.289264Z",
"structure_string": "Li4 Mn1 Cr3 P4 O16\n1.0\n0.000000 4.733118 0.003197\n6.249272 0.000000 0.000000\n0.000000 -0.122726 -10.151600\nLi Mn Cr P O\n4 1 3 4 16\ndirect\n0.994202 0.253285 0.004575 Li\n0.994202 0.746714 0.004575 Li\n0.503149 0.747497 0.498301 Li\n0.503149 0.252502 0.498301 Li\n0.964896 0.500000 0.716535 Mn\n0.553893 0.500000 0.215130 Cr\n0.437514 0.000000 0.786568 Cr\n0.056254 0.000000 0.286227 Cr\n0.088079 0.500000 0.402798 P\n0.419270 0.500000 0.909506 P\n0.577371 0.000000 0.095243 P\n0.915141 0.000000 0.592890 P\n0.216317 0.699357 0.333479 O\n0.241864 0.000000 0.601594 O\n0.250647 0.000000 0.101972 O\n0.283504 0.303450 0.838026 O\n0.283504 0.696549 0.838026 O\n0.300201 0.500000 0.052270 O\n0.684651 0.000000 0.950458 O\n0.782566 0.201432 0.658044 O\n0.713019 0.199428 0.162430 O\n0.743809 0.500000 0.908373 O\n0.761025 0.500000 0.398691 O\n0.782566 0.798568 0.658044 O\n0.216317 0.300643 0.333479 O\n0.806984 0.000000 0.446767 O\n0.713019 0.800571 0.162430 O\n0.212880 0.500000 0.545265 O\n",
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{
"id": "jvasp-46827",
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"structure_string": "Na6 Cd2 P2 C2 O14\n1.0\n0.000000 5.181994 0.009687\n6.867283 0.000000 0.000000\n0.000000 -0.042858 -9.176255\nNa Cd P C O\n6 2 2 2 14\ndirect\n0.760236 0.250000 0.083227 Na\n0.241568 -0.002531 0.252228 Na\n0.241568 0.502531 0.252228 Na\n0.758431 0.497469 0.747772 Na\n0.758431 0.002531 0.747772 Na\n0.239763 0.750000 0.916773 Na\n0.767814 0.750000 0.370858 Cd\n0.232185 0.250000 0.629141 Cd\n0.297632 0.750000 0.594677 P\n0.702367 0.250000 0.405322 P\n0.736668 0.750000 0.059653 C\n0.263331 0.250000 0.940346 C\n0.468047 0.250000 0.858207 O\n0.202429 0.929155 0.682723 O\n0.202429 0.570844 0.682723 O\n0.599153 0.750000 0.592549 O\n0.798284 0.250000 0.565832 O\n0.201715 0.750000 0.434167 O\n0.289200 0.250000 0.080944 O\n0.797570 0.429156 0.317276 O\n0.797570 0.070844 0.317276 O\n0.531952 0.750000 0.141792 O\n0.965071 0.750000 0.118779 O\n0.034928 0.250000 0.881220 O\n0.400846 0.250000 0.407450 O\n0.710799 0.750000 0.919055 O\n",
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"formula_full": "Na6 Cd2 P2 C2 O14",
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{
"id": "jvasp-100467",
"created_at": "2022-09-04T14:36:34.832277Z",
"updated_at": "2022-09-04T14:36:34.832297Z",
"structure_string": "Li1 Fe2 Cl2 O2\n1.0\n3.429978 0.000000 0.000000\n0.000000 3.893071 0.000000\n0.000000 0.000000 8.052488\nLi Fe Cl O\n1 2 2 2\ndirect\n0.000000 0.500000 0.463749 Li\n0.500000 0.000000 0.062006 Fe\n0.000000 0.500000 0.902210 Fe\n0.000000 0.000000 0.303784 Cl\n0.500000 0.500000 0.659614 Cl\n0.000000 0.000000 0.918253 O\n0.500000 0.500000 0.050381 O\n",
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"elements": [
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"density_atomic": 0.06510049562988436,
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"formula_full": "Li1 Fe2 Cl2 O2",
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{
"id": "jvasp-100356",
"created_at": "2022-09-04T14:36:31.446462Z",
"updated_at": "2022-09-04T14:36:31.446482Z",
"structure_string": "Rb1 Li1 Zn1 S2\n1.0\n3.827374 -0.015962 -6.250551\n-0.317603 3.814207 -6.250551\n0.014749 0.015962 7.329253\nRb Li Zn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.750000 0.500001 Li\n0.749999 0.250000 0.500000 Zn\n0.650539 0.650540 0.000001 S\n0.349461 0.349461 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:38:41.938653Z",
"updated_at": "2022-09-04T14:38:41.938667Z",
"structure_string": "Ba1 Cl1\n1.0\n4.427708 0.000000 -0.000000\n0.000000 4.427708 0.000000\n-0.000000 -0.000000 4.277589\nBa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:35:44.836559Z",
"updated_at": "2022-09-04T14:35:44.836577Z",
"structure_string": "Li1 Fe2 Cl2 O2\n1.0\n3.892975 -0.000008 -0.000000\n-0.000017 8.052413 0.000034\n0.000000 0.000013 3.429971\nLi Fe Cl O\n1 2 2 2\ndirect\n0.500005 0.463752 0.000009 Li\n0.000000 0.062009 0.499995 Fe\n0.499999 0.902210 -0.000002 Fe\n0.000002 0.303783 -0.000004 Cl\n0.499995 0.659608 0.500004 Cl\n-0.000002 0.918250 0.999997 O\n0.500001 0.050382 0.499996 O\n",
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"density_atomic": 0.06510284022001103,
"volume": 107.5221906808356,
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"formula_full": "Li1 Fe2 Cl2 O2",
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{
"id": "jvasp-82068",
"created_at": "2022-09-04T14:37:13.771411Z",
"updated_at": "2022-09-04T14:37:13.771451Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-15.159398 4.229011 -1.846334\n-10.961847 1.135321 1.989965\n-9.095614 6.413821 -1.242443\nRb Na Hg\n2 1 1\ndirect\n0.749658 0.000263 0.000262 Rb\n0.250341 -0.000262 -0.000262 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000001 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:38:31.406934Z",
"updated_at": "2022-09-04T14:38:31.406957Z",
"structure_string": "Li3 Y3 Si3\n1.0\n3.510585 -6.080512 -0.000000\n3.510585 6.080512 0.000000\n-0.000000 -0.000000 4.226585\nLi Y Si\n3 3 3\ndirect\n0.232215 0.000000 0.500001 Li\n0.767786 0.767786 0.500001 Li\n0.000000 0.232215 0.500001 Li\n0.000000 0.574737 0.000000 Y\n0.574737 0.000000 0.000000 Y\n0.425264 0.425264 0.000000 Y\n0.333334 0.666668 0.500001 Si\n0.666668 0.333334 0.500001 Si\n0.000000 0.000000 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:36:44.819286Z",
"updated_at": "2022-09-04T14:36:44.819304Z",
"structure_string": "B2 C4 N2\n1.0\n3.602083 0.000000 0.000000\n0.000000 3.606755 0.000000\n0.000000 0.000000 3.648880\nB C N\n2 4 2\ndirect\n0.747221 0.499999 0.000000 B\n0.252778 0.000000 0.000000 B\n0.744950 0.000000 0.500000 C\n0.255049 0.499999 0.500000 C\n0.500000 0.749999 0.742671 C\n0.500000 0.250000 0.257329 C\n0.000000 0.250000 0.741972 N\n0.000000 0.749999 0.258028 N\n",
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{
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"structure_string": "Sr1 H1 Br3\n1.0\n4.512546 -0.041097 0.008450\n-0.405809 5.916494 0.138865\n-1.725729 -2.277773 5.914413\nSr H Br\n1 1 3\ndirect\n0.646481 0.209645 0.082689 Sr\n0.887643 0.803458 0.805642 H\n0.701319 0.686211 0.016345 Br\n0.283158 0.336630 0.400823 Br\n0.988131 0.974766 0.691994 Br\n",
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{
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{
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"created_at": "2022-09-04T14:36:12.543140Z",
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"structure_string": "Li2 V2 F8\n1.0\n0.000000 4.563715 -0.072222\n5.557818 0.000000 0.000000\n0.000000 -0.237007 -5.118682\nLi V F\n2 2 8\ndirect\n0.499999 0.365942 0.750000 Li\n0.499999 0.634058 0.250000 Li\n-0.000000 0.844688 0.750000 V\n-0.000000 0.155312 0.250000 V\n0.224291 0.115893 0.918386 F\n0.224291 0.884107 0.418386 F\n0.262230 0.626235 0.912303 F\n0.262231 0.373765 0.412304 F\n0.737768 0.626235 0.587696 F\n0.737768 0.373765 0.087696 F\n0.775707 0.115893 0.581613 F\n0.775707 0.884107 0.081613 F\n",
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}