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"structure_string": "Li2 Mn4 F12\n1.0\n4.680163 0.000000 0.000000\n0.000000 4.680163 0.000000\n-0.000000 -0.000000 9.474983\nLi Mn F\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.165671 Mn\n0.000000 0.000000 0.334329 Mn\n0.000000 0.000000 0.665670 Mn\n0.500000 0.500000 0.834329 Mn\n0.202453 0.202453 0.828820 F\n0.702452 0.297547 0.671179 F\n0.297547 0.702452 0.671179 F\n0.801414 0.801414 0.500000 F\n0.198585 0.198585 0.500000 F\n0.797547 0.797547 0.171179 F\n0.297547 0.702452 0.328820 F\n0.797547 0.797547 0.828820 F\n0.202453 0.202453 0.171179 F\n0.301415 0.698585 -0.000000 F\n0.702452 0.297547 0.328820 F\n0.698585 0.301415 -0.000000 F\n",
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"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.923511 -0.017912 1.696167\n4.627728 3.697627 1.696167\n-0.000402 -0.000140 6.262673\nLi V Fe O\n2 3 1 8\ndirect\n0.941727 0.941729 0.321508 Li\n0.058082 0.058082 0.653796 Li\n0.718130 0.718132 0.704631 V\n0.609811 0.609813 0.294559 V\n0.385019 0.385020 0.724308 V\n0.285956 0.285956 0.303887 Fe\n0.889057 0.889059 0.676025 O\n0.767889 0.767891 0.353674 O\n0.655737 0.655739 0.994104 O\n0.559699 0.559700 0.646817 O\n0.442471 0.442472 0.354318 O\n0.344350 0.344351 0.006148 O\n0.226720 0.226720 0.653359 O\n0.115350 0.115351 0.312868 O\n",
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{
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"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.836661 -0.066219 -2.848705\n1.601207 4.679338 -2.831413\n0.103826 0.047036 5.613284\nLi Co Ni O\n2 3 1 8\ndirect\n0.500007 0.500001 0.999989 Li\n0.000001 0.500000 0.499998 Li\n0.500000 1.000000 0.500002 Co\n0.499998 0.000002 0.000001 Co\n-0.000000 0.000001 0.500001 Co\n0.000001 0.999998 0.000002 Ni\n0.765115 0.210912 0.234897 O\n0.234886 0.789089 0.765106 O\n0.264858 0.210395 0.735127 O\n0.735141 0.789609 0.264877 O\n0.264942 0.205502 0.237105 O\n0.763023 0.205423 0.735172 O\n0.236978 0.794577 0.264834 O\n0.735058 0.794497 0.762900 O\n",
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"structure_string": "Li8 Cr4 O8\n1.0\n5.468772 0.166204 0.000019\n1.464047 6.344712 0.000015\n-0.000020 -0.000009 5.684857\nLi Cr O\n8 4 8\ndirect\n0.634730 0.326527 0.499998 Li\n0.634731 0.826526 0.750000 Li\n0.634730 0.326527 -0.000003 Li\n0.634731 0.826526 0.250000 Li\n0.365271 0.673472 0.499997 Li\n0.365270 0.173473 0.750000 Li\n0.365271 0.673472 -0.000003 Li\n0.365270 0.173473 0.250000 Li\n0.000000 -0.000000 -0.000029 Cr\n0.000000 0.500000 0.750031 Cr\n0.000000 -0.000000 0.499971 Cr\n0.000000 0.500000 0.250030 Cr\n0.263506 0.400447 0.500023 O\n0.263508 0.900447 0.749978 O\n0.263506 0.400448 0.000023 O\n0.263508 0.900447 0.249978 O\n0.736495 0.599551 0.500023 O\n0.736492 0.099552 0.749979 O\n0.736495 0.599551 0.000023 O\n0.736492 0.099552 0.249979 O\n",
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{
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"created_at": "2022-09-04T14:38:47.256472Z",
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"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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{
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"structure_string": "Li2 V4 Si4 O16\n1.0\n4.787865 -0.011703 -0.000027\n0.027185 5.715154 0.000013\n0.000033 0.000010 10.028113\nLi V Si O\n2 4 4 16\ndirect\n0.250000 0.250056 0.298208 Li\n0.750006 0.749952 0.798216 Li\n0.753031 0.490789 0.063957 V\n0.246971 0.509210 0.563957 V\n0.746959 0.009205 0.532483 V\n0.253043 0.990794 0.032484 V\n0.689169 0.508383 0.390550 Si\n0.310833 0.491618 0.890550 Si\n0.189160 0.008401 0.705885 Si\n0.810842 0.991600 0.205886 Si\n0.466360 0.279732 0.977996 O\n0.416056 0.501009 0.736593 O\n0.583941 0.498989 0.236594 O\n0.476325 0.712044 0.969074 O\n0.523678 0.287954 0.469075 O\n0.533642 0.720266 0.477995 O\n0.966373 0.779713 0.118439 O\n0.916025 0.000984 0.359845 O\n0.023676 0.787965 0.627359 O\n0.976325 0.212035 0.127360 O\n0.083974 -0.000984 0.859845 O\n0.975411 0.504266 0.905503 O\n0.475419 0.004255 0.190923 O\n0.524581 0.995745 0.690924 O\n0.033629 0.220285 0.618439 O\n0.024588 0.495735 0.405503 O\n",
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"structure_string": "Li4 Al4 Ni4 O12\n1.0\n5.328401 -0.040994 -1.664262\n2.201105 5.095653 -1.922470\n0.083142 -0.024111 8.757941\nLi Al Ni O\n4 4 4 12\ndirect\n0.941552 0.132511 0.376855 Li\n0.441551 0.632512 0.876860 Li\n0.558447 0.367490 0.123142 Li\n0.058447 0.867490 0.623144 Li\n0.627185 0.786450 0.376085 Al\n0.127186 0.286452 0.876085 Al\n0.872813 0.713550 0.123915 Al\n0.372813 0.213549 0.623915 Al\n0.281497 0.463974 0.370296 Ni\n0.218503 0.036029 0.129705 Ni\n0.781495 0.963971 0.870295 Ni\n0.718502 0.536027 0.629704 Ni\n0.860841 0.021190 0.115897 O\n0.942504 0.789643 0.359341 O\n0.442503 0.289643 0.859342 O\n0.557494 0.710357 0.140658 O\n0.057496 0.210357 0.640658 O\n0.327636 0.095749 0.385180 O\n0.827634 0.595749 0.885180 O\n0.172364 0.404253 0.114819 O\n0.672362 0.904252 0.614819 O\n0.639159 0.478810 0.384102 O\n0.139159 0.978810 0.884102 O\n0.360838 0.521192 0.615898 O\n",
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"formula_full": "Li4 Ni2 P4 O14",
"formula_reduced": "Li2NiP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.387877325,
"spacegroup": 15
}
]
}