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{
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{
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{
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{
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{
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F\n0.300251 0.667269 0.625594 F\n0.183203 0.533744 0.064703 F\n0.683203 0.466256 0.435297 F\n0.816797 0.466256 0.935297 F\n0.316797 0.533744 0.564703 F\n0.301128 0.575562 0.172339 F\n0.801128 0.424438 0.327661 F\n0.698872 0.424438 0.827661 F\n0.198872 0.575562 0.672339 F\n0.444311 0.919777 0.495547 F\n0.944311 0.080223 0.004453 F\n0.555689 0.080223 0.504453 F\n0.055689 0.919777 0.995547 F\n0.350373 0.948807 0.390955 F\n0.850373 0.051193 0.109045 F\n0.649627 0.051193 0.609045 F\n0.149627 0.948807 0.890955 F\n0.245809 0.918017 0.489830 F\n0.745809 0.081983 0.010170 F\n0.754191 0.081983 0.510170 F\n0.254191 0.918017 0.989830 F\n0.339250 0.668916 0.430606 F\n0.839250 0.331084 0.069394 F\n0.660750 0.331084 0.569394 F\n0.160750 0.668916 0.930606 F\n0.339098 0.779862 0.533845 F\n0.839098 0.220138 0.966155 F\n0.660902 0.220138 0.466155 F\n0.160902 0.779862 0.033845 F\n0.506193 0.740684 0.465156 F\n0.006193 0.259316 0.034844 F\n0.493807 0.259316 0.534844 F\n0.993807 0.740684 0.965156 F\n0.380652 0.812630 0.258360 F\n0.880652 0.187370 0.241640 F\n0.619348 0.187370 0.741640 F\n0.119348 0.812630 0.758360 F\n0.542364 0.825963 0.336417 F\n0.042364 0.174037 0.163583 F\n0.457636 0.174037 0.663583 F\n0.957636 0.825963 0.836417 F\n0.457010 0.703301 0.291544 F\n0.957010 0.296699 0.208456 F\n0.542990 0.296699 0.708456 F\n0.042990 0.703301 0.791544 F\n0.025102 0.983378 0.198872 F\n0.525102 0.016622 0.301128 F\n0.974898 0.016622 0.801128 F\n0.474898 0.983378 0.698872 F\n0.113854 0.989422 0.316931 F\n0.613854 0.010578 0.183069 F\n0.886146 0.010578 0.683069 F\n0.386146 0.989422 0.816931 F\n0.145561 0.882060 0.212668 F\n0.645561 0.117940 0.287332 F\n0.854439 0.117940 0.787332 F\n0.354439 0.882060 0.712668 F\n0.937566 0.809473 0.139737 F\n0.437566 0.190527 0.360263 F\n0.062434 0.190527 0.860263 F\n0.562434 0.809473 0.639737 F\n0.791707 0.898743 0.184343 F\n0.291707 0.101257 0.315657 F\n0.208293 0.101257 0.815657 F\n0.708293 0.898743 0.684343 F\n0.804118 0.782702 0.225897 F\n0.304118 0.217298 0.274103 F\n0.195882 0.217298 0.774103 F\n0.695882 0.782702 0.725897 F\n0.937885 0.964328 0.423576 F\n0.437885 0.035672 0.076424 F\n0.062115 0.035672 0.576424 F\n0.562115 0.964328 0.923576 F\n0.769834 0.912893 0.363672 F\n0.269834 0.087107 0.136328 F\n0.230166 0.087107 0.636328 F\n0.730166 0.912893 0.863672 F\n0.851104 0.022616 0.333550 F\n0.351104 0.977384 0.166450 F\n0.148896 0.977384 0.666450 F\n0.648896 0.022616 0.833550 F\n",
"nsites": 240,
"nelements": 4,
"elements": [
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"C",
"O",
"F"
],
"chemical_system": "C-F-Li-O",
"density": 2.1566060399992555,
"density_atomic": 0.08051069143268427,
"volume": 2980.9705484974775,
"volume_molar": 7.47992676852759,
"formula_full": "Li16 C64 O16 F144",
"formula_reduced": "LiC4OF9",
"formula_anonymous": "ABC4D9",
"energy": -1424.18946572,
"energy_per_atom": -5.934122773833334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1346.66946572,
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"total_magnetization": 2.35e-05,
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"updated_at": "2021-11-28T01:35:11.503000Z",
"spacegroup": 14
},
{
"id": "mp-1190838",
"created_at": "2022-09-04T14:41:45.843811Z",
"structure_string": "Rb4 La4 F16\n1.0\n3.888315 0.000000 0.000000\n0.000000 6.526506 0.000000\n0.000000 0.000000 16.425449\nRb La F\n4 4 16\ndirect\n0.750000 0.275649 0.799580 Rb\n0.750000 0.775649 0.700420 Rb\n0.250000 0.724351 0.200420 Rb\n0.250000 0.224351 0.299580 Rb\n0.250000 0.251638 0.558425 La\n0.250000 0.751638 0.941575 La\n0.750000 0.748362 0.441575 La\n0.750000 0.248362 0.058425 La\n0.250000 0.131128 0.964036 F\n0.250000 0.631128 0.535964 F\n0.750000 0.868872 0.035964 F\n0.750000 0.368872 0.464036 F\n0.750000 0.001120 0.555196 F\n0.750000 0.501120 0.944804 F\n0.250000 0.998880 0.444804 F\n0.250000 0.498880 0.055196 F\n0.750000 0.389115 0.629753 F\n0.750000 0.889115 0.870247 F\n0.250000 0.610885 0.370247 F\n0.250000 0.110885 0.129753 F\n0.250000 0.095539 0.687384 F\n0.250000 0.595539 0.812616 F\n0.750000 0.904461 0.312616 F\n0.750000 0.404461 0.187384 F\n",
"nsites": 24,
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"elements": [
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"La",
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],
"chemical_system": "F-La-Rb",
"density": 4.7863197009019975,
"density_atomic": 0.0575773681221967,
"volume": 416.8304454115495,
"volume_molar": 10.45921506384103,
"formula_full": "Rb4 La4 F16",
"formula_reduced": "RbLaF4",
"formula_anonymous": "ABC4",
"energy": -150.34617322,
"energy_per_atom": -6.264423884166667,
"energy_above_hull": null,
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"energy_uncorrected": -142.95417322,
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"updated_at": "2021-11-28T01:35:20.150000Z",
"spacegroup": 62
},
{
"id": "mp-4077",
"created_at": "2022-09-04T14:48:05.309237Z",
"structure_string": "Cd2 C4 N4\n1.0\n6.462631 0.000000 0.000000\n0.000000 6.462631 0.000000\n0.000000 0.000000 6.462631\nCd C N\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.199700 0.800300 0.800300 C\n0.800300 0.800300 0.199700 C\n0.199700 0.199700 0.199700 C\n0.800300 0.199700 0.800300 C\n0.696008 0.696008 0.303992 N\n0.303992 0.696008 0.696008 N\n0.303992 0.303992 0.303992 N\n0.696008 0.303992 0.696008 N\n",
"nsites": 10,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-Cd-N",
"density": 2.0233629836579303,
"density_atomic": 0.03704861024231845,
"volume": 269.9156576884924,
"volume_molar": 16.254700839280773,
"formula_full": "Cd2 C4 N4",
"formula_reduced": "Cd(CN)2",
"formula_anonymous": "AB2C2",
"energy": -69.95198089,
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"updated_at": "2021-11-28T01:38:23.890000Z",
"spacegroup": 215
}
]
}