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{
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"results": [
{
"id": "jvasp-119265",
"created_at": "2022-09-04T14:38:28.838754Z",
"updated_at": "2022-09-04T14:38:28.838776Z",
"structure_string": "Li6 Ni4 Sn2 O12\n1.0\n5.873405 0.002175 1.361734\n3.240652 5.799416 -0.597930\n0.000067 0.054989 6.658022\nLi Ni Sn O\n6 4 2 12\ndirect\n0.750220 0.833392 0.335060 Li\n0.249779 0.833279 0.331609 Li\n0.753466 0.500009 0.974805 Li\n0.243256 0.525991 0.981061 Li\n0.756740 0.140679 0.685605 Li\n0.246525 0.166658 0.691860 Li\n0.510563 0.984298 0.993158 Ni\n0.489438 0.682370 0.673508 Ni\n0.005651 0.990377 0.994001 Ni\n0.994349 0.676292 0.672665 Ni\n0.000000 0.333334 0.333333 Sn\n0.500002 0.333333 0.333332 Sn\n0.864748 0.095906 0.351027 O\n0.647976 0.229454 0.006755 O\n0.121245 0.225521 0.006405 O\n0.878758 0.441147 0.660260 O\n0.352024 0.437216 0.659910 O\n0.646937 0.895431 0.675084 O\n0.122147 0.893959 0.669230 O\n0.877852 0.772711 -0.002564 O\n0.353066 0.771236 0.991581 O\n0.628365 0.578036 0.330468 O\n0.135251 0.570765 0.315639 O\n0.371634 0.088633 0.336198 O\n",
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"formula_full": "Li6 Ni4 Sn2 O12",
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{
"id": "jvasp-117279",
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"updated_at": "2022-09-04T14:38:47.256494Z",
"structure_string": "Li4 Ni6 Sn2 O16\n1.0\n5.806654 0.000000 0.000000\n-2.903327 5.028710 0.000000\n-0.000000 -0.000000 9.476511\nLi Ni Sn O\n4 6 2 16\ndirect\n0.333333 0.666667 0.893032 Li\n0.000000 0.000000 0.995125 Li\n0.000000 0.000000 0.495125 Li\n0.666666 0.333333 0.393032 Li\n0.830307 0.660617 0.715004 Ni\n0.339383 0.169692 0.715004 Ni\n0.830307 0.169692 0.715004 Ni\n0.169692 0.339383 0.215004 Ni\n0.169692 0.830308 0.215004 Ni\n0.660616 0.830308 0.215004 Ni\n0.333333 0.666667 0.493425 Sn\n0.666666 0.333333 0.993425 Sn\n0.312689 0.156344 0.102418 O\n0.843655 0.687311 0.102418 O\n0.666666 0.333333 0.611160 O\n0.515582 0.031165 0.833308 O\n0.515582 0.484417 0.833308 O\n0.687310 0.843656 0.602418 O\n0.484417 0.515583 0.333308 O\n0.031165 0.515583 0.333308 O\n0.156344 0.312689 0.602418 O\n0.000000 0.000000 0.806256 O\n0.000000 0.000000 0.306256 O\n0.333333 0.666667 0.111160 O\n0.968834 0.484417 0.833308 O\n0.156344 0.843656 0.602418 O\n0.484417 0.968835 0.333308 O\n0.843655 0.156344 0.102418 O\n",
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"formula_full": "Li4 Ni6 Sn2 O16",
"formula_reduced": "Li2Ni3SnO8",
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},
{
"id": "jvasp-119273",
"created_at": "2022-09-04T14:38:47.019479Z",
"updated_at": "2022-09-04T14:38:47.019509Z",
"structure_string": "Li4 Ni6 Sn2 O16\n1.0\n5.810193 0.042623 -0.011131\n-0.044806 5.952090 0.210269\n0.015788 -0.004513 8.315877\nLi Ni Sn O\n4 6 2 16\ndirect\n0.000026 0.238422 0.119194 Li\n0.500020 0.738425 0.619192 Li\n-0.000020 0.761577 0.880808 Li\n0.499973 0.261576 0.380807 Li\n0.250000 0.750000 0.250002 Ni\n-0.000003 0.499999 0.500000 Ni\n0.749997 0.250000 0.750001 Ni\n0.750000 0.749999 0.250001 Ni\n0.500002 0.000002 -0.000000 Ni\n0.250001 0.250002 0.750001 Ni\n-0.000000 -0.000005 0.500001 Sn\n0.500000 0.500002 -0.000001 Sn\n0.000015 0.966410 0.251791 O\n0.731339 0.764906 0.016730 O\n0.231334 0.264902 0.516731 O\n0.499985 0.533591 0.248209 O\n-0.000012 0.033592 0.748211 O\n0.500010 0.466408 0.751790 O\n0.268666 0.235097 0.983270 O\n0.500073 0.029455 0.764758 O\n0.731347 0.235202 0.983304 O\n0.231343 0.735199 0.483306 O\n0.499937 0.970551 0.235243 O\n-0.000076 0.470545 0.735245 O\n0.768650 0.264795 0.516697 O\n0.000064 0.529451 0.264756 O\n0.768660 0.735094 0.483269 O\n0.268658 0.764805 0.016693 O\n",
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"formula_full": "Li4 Ni6 Sn2 O16",
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{
"id": "jvasp-43315",
"created_at": "2022-09-04T14:35:55.699393Z",
"updated_at": "2022-09-04T14:35:55.699418Z",
"structure_string": "Li4 Ni4 Sn2 O12\n1.0\n5.150018 0.102134 0.000000\n-2.499768 4.503806 0.000000\n0.000000 0.000000 9.932264\nLi Ni Sn O\n4 4 2 12\ndirect\n0.135326 0.635326 0.750000 Li\n0.364674 0.864674 0.250000 Li\n0.635326 0.135326 0.750000 Li\n0.864674 0.364674 0.250000 Li\n0.162447 0.837554 0.500000 Ni\n0.337553 0.662447 0.000000 Ni\n0.662447 0.337553 0.000000 Ni\n0.837553 0.162446 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.538446 0.173239 0.390038 O\n0.852694 0.852694 0.400812 O\n0.326761 0.961555 0.890038 O\n0.647306 0.647306 0.900811 O\n0.352694 0.352694 0.099189 O\n0.038446 0.673240 0.109962 O\n0.461554 0.826761 0.609962 O\n0.173239 0.538446 0.390038 O\n0.961554 0.326760 0.890038 O\n0.826761 0.461554 0.609962 O\n0.147306 0.147306 0.599189 O\n0.673239 0.038445 0.109962 O\n",
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"formula_full": "Li4 Ni4 Sn2 O12",
"formula_reduced": "Li2Ni2SnO6",
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},
{
"id": "jvasp-47955",
"created_at": "2022-09-04T14:37:18.610476Z",
"updated_at": "2022-09-04T14:37:18.610500Z",
"structure_string": "Li4 Ni2 Sn2 O8\n1.0\n6.060154 -0.104947 -0.038320\n0.264113 6.055306 -0.038320\n-3.187312 -2.998870 4.379833\nLi Ni Sn O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000001 0.500000 Ni\n-0.000000 -0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.242902 0.757080 0.013046 O\n0.238737 0.240126 0.489443 O\n0.242919 0.757098 0.486954 O\n0.759872 0.761262 0.010557 O\n0.240126 0.238737 0.989443 O\n0.757079 0.242902 0.513045 O\n0.761261 0.759873 0.510556 O\n0.757097 0.242919 0.986954 O\n",
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"spacegroup": 74
},
{
"id": "jvasp-44736",
"created_at": "2022-09-04T14:37:08.369329Z",
"updated_at": "2022-09-04T14:37:08.369357Z",
"structure_string": "Li2 Ni1 Sn1 O4\n1.0\n5.301577 -0.200329 -0.000000\n2.140106 4.854564 0.000000\n-3.720841 -2.327118 2.981059\nLi Ni Sn O\n2 1 1 4\ndirect\n0.250001 0.749999 0.500000 Li\n0.500001 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Ni\n0.750001 0.250000 0.500000 Sn\n0.517187 0.017187 0.500000 O\n0.240474 0.240474 -0.000000 O\n0.982815 0.482813 0.500000 O\n0.759528 0.759526 -0.000000 O\n",
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"formula_full": "Li2 Ni1 Sn1 O4",
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"spacegroup": 119
},
{
"id": "jvasp-45241",
"created_at": "2022-09-04T14:38:04.402067Z",
"updated_at": "2022-09-04T14:38:04.402086Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n5.885014 -0.003529 -0.002864\n2.939478 5.281449 -0.100999\n2.939165 1.665391 5.012573\nLi Ni Sn O\n2 2 2 8\ndirect\n0.119992 0.126570 0.126548 Li\n0.880007 0.873431 0.873450 Li\n0.000004 0.500000 0.500001 Ni\n0.499998 0.500000 0.499999 Ni\n0.499997 0.000001 0.500002 Sn\n0.499997 0.500004 0.000000 Sn\n0.267311 0.249612 0.249564 O\n0.245098 0.281965 0.705485 O\n0.245185 0.705391 0.282084 O\n0.719443 0.270051 0.270082 O\n0.280557 0.729948 0.729920 O\n0.754901 0.718036 0.294511 O\n0.754816 0.294605 0.717916 O\n0.732690 0.750389 0.750437 O\n",
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"formula_full": "Li2 Ni2 Sn2 O8",
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"spacegroup": 12
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{
"id": "jvasp-45898",
"created_at": "2022-09-04T14:38:05.091431Z",
"updated_at": "2022-09-04T14:38:05.091457Z",
"structure_string": "Li2 Ni2 Sn2 O8\n1.0\n2.889782 -2.839497 -4.505193\n3.033306 2.916084 4.460654\n2.723463 -2.999391 4.505193\nLi Ni Sn O\n2 2 2 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.500000 -0.000001 0.500000 Li\n-0.000000 -0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Sn\n0.500000 0.499999 0.500000 Sn\n0.229434 0.007661 0.745779 O\n0.204360 0.441516 0.292171 O\n0.245779 0.492338 0.729434 O\n0.207830 0.941516 0.295641 O\n0.792170 0.058483 0.704360 O\n0.754221 0.507661 0.270566 O\n0.795641 0.558483 0.707830 O\n0.770566 0.992338 0.254222 O\n",
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"spacegroup": 15
},
{
"id": "jvasp-44724",
"created_at": "2022-09-04T14:38:11.892423Z",
"updated_at": "2022-09-04T14:38:11.892449Z",
"structure_string": "Li4 Si4 Ni2 O12\n1.0\n2.890643 4.821822 0.097187\n-2.890643 4.821822 -0.097187\n-0.275950 0.000000 9.093854\nLi Si Ni O\n4 4 2 12\ndirect\n0.613307 0.716759 0.882677 Li\n0.283241 0.386693 0.382678 Li\n0.716759 0.613307 0.617322 Li\n0.386693 0.283241 0.117322 Li\n0.135849 0.793202 0.636557 Si\n0.206798 0.864150 0.136557 Si\n0.793202 0.135849 0.863443 Si\n0.864150 0.206798 0.363443 Si\n0.244229 0.244229 0.750000 Ni\n0.755770 0.755770 0.250000 Ni\n0.756332 0.519711 0.410665 O\n0.480288 0.243668 0.910664 O\n0.000000 0.000000 0.000000 O\n0.126397 0.126397 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.364756 0.853962 0.713505 O\n0.519711 0.756332 0.089335 O\n0.243668 0.480288 0.589335 O\n0.146038 0.635244 0.213505 O\n0.853962 0.364756 0.786495 O\n0.873602 0.873602 0.750000 O\n0.635244 0.146038 0.286495 O\n",
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"formula_full": "Li4 Si4 Ni2 O12",
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"spacegroup": 15
},
{
"id": "jvasp-47261",
"created_at": "2022-09-04T14:38:09.460626Z",
"updated_at": "2022-09-04T14:38:09.460650Z",
"structure_string": "Li4 Si2 Ni1 O7\n1.0\n4.433264 -0.002966 0.012460\n-2.180897 4.779417 -0.024209\n-0.133505 -1.133168 6.646994\nLi Si Ni O\n4 2 1 7\ndirect\n0.134366 0.298071 0.435774 Li\n0.705329 0.430968 0.144033 Li\n0.283853 0.583103 0.852770 Li\n0.839953 0.705529 0.566383 Li\n0.587631 0.152139 0.709148 Si\n0.430473 0.850049 0.286949 Si\n0.009790 0.023239 0.005197 Ni\n0.766281 0.106893 0.226569 O\n0.405146 0.268734 0.887418 O\n0.915583 0.408672 0.652364 O\n0.501312 0.589407 0.343188 O\n0.129481 0.737577 0.104745 O\n0.670069 0.895264 0.774603 O\n0.311160 0.999370 0.498038 O\n",
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"volume": 140.7134028862091,
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"formula_full": "Li4 Si2 Ni1 O7",
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"formula_anonymous": "AB2C4D7",
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"spacegroup": 1
},
{
"id": "jvasp-112806",
"created_at": "2022-09-04T14:38:42.722593Z",
"updated_at": "2022-09-04T14:38:42.722620Z",
"structure_string": "Li6 Si2 Ni6 O16\n1.0\n5.029030 -0.012362 0.000002\n-1.301772 9.463353 0.000007\n-0.000000 -0.000000 5.551767\nLi Si Ni O\n6 2 6 16\ndirect\n0.000000 0.000000 0.499999 Li\n0.500000 0.499999 0.500000 Li\n0.500001 0.000000 0.244124 Li\n-0.000002 0.500000 0.244123 Li\n0.500001 0.000000 0.755876 Li\n-0.000001 0.500000 0.755877 Li\n0.750000 0.250000 -0.000000 Si\n0.250000 0.750000 0.000000 Si\n0.250000 0.250000 0.753918 Ni\n0.250000 0.250000 0.246084 Ni\n0.250001 0.749999 0.500001 Ni\n0.750000 0.750000 0.753917 Ni\n0.750000 0.750000 0.246084 Ni\n0.750001 0.250000 0.500000 Ni\n0.140712 0.858140 0.760139 O\n0.640712 0.358141 0.760141 O\n0.359287 0.641859 0.239862 O\n0.859288 0.141860 0.239860 O\n0.140712 0.858140 0.239862 O\n0.640712 0.358140 0.239860 O\n0.623495 0.860331 0.500001 O\n0.420244 0.148465 0.000001 O\n0.876505 0.639669 0.500000 O\n0.376501 0.139670 0.500001 O\n0.579756 0.851534 0.000000 O\n0.079758 0.351535 0.000000 O\n0.920243 0.648465 0.000000 O\n0.859289 0.141860 0.760140 O\n0.123499 0.360330 0.500000 O\n0.359288 0.641860 0.760138 O\n",
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"formula_full": "Li6 Si2 Ni6 O16",
"formula_reduced": "Li3SiNi3O8",
"formula_anonymous": "AB3C3D8",
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},
{
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"created_at": "2022-09-04T14:38:42.570726Z",
"updated_at": "2022-09-04T14:38:42.570753Z",
"structure_string": "Li4 Si4 Ni2 O12\n1.0\n4.656917 0.000000 0.000000\n0.000000 5.318425 0.274083\n0.000000 0.137835 9.539309\nLi Si Ni O\n4 4 2 12\ndirect\n0.195900 0.670559 0.674598 Li\n0.708173 0.839120 0.517845 Li\n0.208172 0.160878 0.482155 Li\n0.695900 0.329439 0.325402 Li\n0.218730 0.134332 0.824587 Si\n0.715339 0.309601 0.656737 Si\n0.215339 0.690397 0.343263 Si\n0.718730 0.865666 0.175413 Si\n0.620390 0.618092 0.889107 Ni\n0.120390 0.381906 0.110893 Ni\n0.368331 0.850802 0.206325 O\n0.857567 0.728432 0.325953 O\n0.278750 0.394977 0.318976 O\n0.301326 0.802076 0.490095 O\n0.801326 0.197923 0.509905 O\n0.323352 0.328970 0.941501 O\n0.357566 0.271566 0.674047 O\n0.868331 0.149196 0.793675 O\n0.307847 0.842823 0.838203 O\n0.807847 0.157175 0.161797 O\n0.778750 0.605021 0.681023 O\n0.823353 0.671028 0.058499 O\n",
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"elements": [
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],
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"density": 3.16147634602758,
"density_atomic": 0.09318537069461078,
"volume": 236.0885602107964,
"volume_molar": 6.462538824614323,
"formula_full": "Li4 Si4 Ni2 O12",
"formula_reduced": "Li2Si2NiO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.338239145454545,
"spacegroup": 4
}
]
}