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"results": [
{
"id": "jvasp-17288",
"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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"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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"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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"formula_full": "Li1 Fe2 Cl2 O2",
"formula_reduced": "LiFe2(ClO)2",
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{
"id": "jvasp-114563",
"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",
"nsites": 2,
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"elements": [
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"density": 3.4212559723231415,
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"volume": 83.86041332427061,
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"formula_full": "Ba1 Cl1",
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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",
"nsites": 5,
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"volume": 107.72483721471647,
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"formula_full": "Rb1 Li1 Zn1 S2",
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"formula_anonymous": "ABCD2",
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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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"formula_full": "Li1 Fe2 Cl2 O2",
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{
"id": "jvasp-46827",
"created_at": "2022-09-04T14:38:09.824345Z",
"updated_at": "2022-09-04T14:38:09.824372Z",
"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",
"nsites": 26,
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"elements": [
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"density": 3.420902055343902,
"density_atomic": 0.07962140103545762,
"volume": 326.5453717452357,
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"formula_anonymous": "ABCD3E7",
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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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"formula_full": "Li4 Mn1 Cr3 P4 O16",
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{
"id": "jvasp-22085",
"created_at": "2022-09-04T14:37:42.172946Z",
"updated_at": "2022-09-04T14:37:42.172976Z",
"structure_string": "Ca6 Mn2 N6\n1.0\n5.000764 0.000000 -0.000000\n-0.000000 6.432094 -1.272898\n0.000000 -0.006212 6.556833\nCa Mn N\n6 2 6\ndirect\n0.250000 0.905901 0.670021 Ca\n0.749999 0.608032 0.391967 Ca\n0.749999 0.670022 0.905901 Ca\n0.250000 0.391968 0.608032 Ca\n0.749999 0.094099 0.329978 Ca\n0.250000 0.329978 0.094098 Ca\n0.749999 0.197100 0.802899 Mn\n0.250000 0.802899 0.197100 Mn\n0.749999 0.934440 0.681353 N\n0.250000 0.626047 0.373953 N\n0.749999 0.373953 0.626047 N\n0.250000 0.681353 0.934440 N\n0.250000 0.065560 0.318647 N\n0.749999 0.318646 0.065560 N\n",
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],
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"formula_full": "Ca6 Mn2 N6",
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{
"id": "jvasp-120057",
"created_at": "2022-09-04T14:38:50.731697Z",
"updated_at": "2022-09-04T14:38:50.731737Z",
"structure_string": "Sn1 C1 S1\n1.0\n3.300721 0.000000 0.000000\n0.000000 3.300721 -0.000000\n-0.000000 -0.000000 7.253983\nSn C S\n1 1 1\ndirect\n0.000000 0.000000 0.718529 Sn\n0.000000 0.000000 0.009640 C\n0.000000 0.000000 0.222504 S\n",
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{
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"created_at": "2022-09-04T14:37:34.960054Z",
"updated_at": "2022-09-04T14:37:34.960077Z",
"structure_string": "K2 Fe4 S6\n1.0\n5.146426 0.000000 -0.000000\n0.000000 6.760028 -1.417473\n-0.000000 -0.063617 6.906748\nK Fe S\n2 4 6\ndirect\n0.250000 0.325239 0.674761 K\n0.750001 0.674761 0.325239 K\n0.000000 0.852801 0.852802 Fe\n0.500000 0.147199 0.147199 Fe\n0.000000 0.147199 0.147199 Fe\n0.500000 0.852801 0.852802 Fe\n0.750001 0.175015 0.395933 S\n0.250000 0.824985 0.604068 S\n0.250000 0.395933 0.175015 S\n0.750001 0.112832 0.887168 S\n0.250000 0.887168 0.112832 S\n0.750001 0.604067 0.824985 S\n",
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"volume": 239.8215705252164,
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{
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"created_at": "2022-09-04T14:37:05.657034Z",
"updated_at": "2022-09-04T14:37:05.657046Z",
"structure_string": "Rb4 Br2 O1\n1.0\n5.175028 -0.000000 -1.557487\n-0.468744 5.153755 -1.557487\n0.011949 0.013086 9.415925\nRb Br O\n4 2 1\ndirect\n0.843685 0.843684 0.687366 Rb\n0.156316 0.156316 0.312633 Rb\n0.000000 0.500000 -0.000000 Rb\n0.500000 0.000000 -0.000000 Rb\n0.641692 0.641691 0.283383 Br\n0.358309 0.358309 0.716616 Br\n0.000000 0.000000 0.000000 O\n",
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}
]
}