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{
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{
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"formula_full": "Na8 Li8 Mo8 H32 O48",
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},
{
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"structure_string": "Ca18 La10 Br66\n1.0\n11.811547 0.000000 0.000000\n-4.086624 11.204253 0.000000\n-4.225327 -5.024737 21.250846\nCa La Br\n18 10 66\ndirect\n0.910670 0.235867 0.927425 Ca\n0.317630 0.081190 0.971106 Ca\n0.479368 0.018167 0.193998 Ca\n0.867330 0.262157 0.334347 Ca\n0.236535 0.145507 0.382221 Ca\n0.687638 0.402120 0.542844 Ca\n0.068732 0.257752 0.560540 Ca\n0.763701 0.348200 0.119659 Ca\n0.132502 0.202543 0.152897 Ca\n0.867498 0.797457 0.847103 Ca\n0.236299 0.651800 0.880341 Ca\n0.931268 0.742248 0.439460 Ca\n0.312362 0.597880 0.457156 Ca\n0.763465 0.854493 0.617779 Ca\n0.132670 0.737843 0.665653 Ca\n0.520632 0.981833 0.806002 Ca\n0.682370 0.918810 0.028894 Ca\n0.089330 0.764133 0.072575 Ca\n0.378529 0.047383 0.584363 La\n0.173985 0.136490 0.762785 La\n0.862609 0.356327 0.735360 La\n0.632258 0.455528 0.930069 La\n0.466354 0.544087 0.683957 La\n0.533646 0.455913 0.316043 La\n0.367742 0.544472 0.069931 La\n0.137391 0.643673 0.264640 La\n0.826015 0.863510 0.237215 La\n0.621471 0.952617 0.415637 La\n0.767348 0.137950 0.790883 Br\n0.933430 0.138016 0.669768 Br\n0.629457 0.199024 0.916298 Br\n0.734602 0.049110 0.193431 Br\n0.149088 0.992259 0.634594 Br\n0.048094 0.064021 0.875247 Br\n0.657451 0.196600 0.621235 Br\n0.446399 0.187996 0.737505 Br\n0.815385 0.224655 0.482678 Br\n0.599275 0.122189 0.331118 Br\n0.469559 0.117239 0.464534 Br\n0.149278 0.051734 0.486196 Br\n0.356513 0.276611 0.889279 Br\n0.883905 0.176891 0.057942 Br\n0.829115 0.457247 0.859790 Br\n0.558289 0.107366 0.070140 Br\n0.959667 0.442600 0.626080 Br\n0.253247 0.046958 0.093834 Br\n0.395496 0.308039 0.585145 Br\n0.972430 0.366218 0.220195 Br\n0.341387 0.193252 0.265180 Br\n0.660733 0.321225 0.233574 Br\n0.040346 0.133016 0.275875 Br\n0.233106 0.350186 0.697843 Br\n0.710816 0.504799 0.685004 Br\n0.091457 0.360351 0.826338 Br\n0.755407 0.460424 0.415247 Br\n0.589563 0.572446 0.820959 Br\n0.441858 0.386492 0.430203 Br\n0.813685 0.723830 0.974900 Br\n0.458802 0.607310 0.953909 Br\n0.117021 0.322165 0.435704 Br\n0.138989 0.537214 0.977023 Br\n0.861011 0.462786 0.022977 Br\n0.882979 0.677835 0.564296 Br\n0.541198 0.392690 0.046091 Br\n0.186315 0.276170 0.025100 Br\n0.558142 0.613508 0.569797 Br\n0.410437 0.427554 0.179041 Br\n0.244593 0.539576 0.584753 Br\n0.908543 0.639649 0.173662 Br\n0.289184 0.495201 0.314996 Br\n0.766894 0.649814 0.302157 Br\n0.959654 0.866984 0.724125 Br\n0.339267 0.678775 0.766426 Br\n0.658613 0.806748 0.734820 Br\n0.027570 0.633782 0.779805 Br\n0.604504 0.691961 0.414855 Br\n0.746753 0.953042 0.906166 Br\n0.040333 0.557400 0.373920 Br\n0.441711 0.892634 0.929860 Br\n0.170885 0.542753 0.140210 Br\n0.116095 0.823109 0.942058 Br\n0.643487 0.723389 0.110721 Br\n0.850722 0.948266 0.513804 Br\n0.530441 0.882761 0.535466 Br\n0.400725 0.877811 0.668882 Br\n0.184615 0.775345 0.517322 Br\n0.553601 0.812004 0.262495 Br\n0.342549 0.803400 0.378765 Br\n0.951906 0.935979 0.124753 Br\n0.850912 0.007741 0.365406 Br\n0.265398 0.950890 0.806569 Br\n0.370543 0.800976 0.083702 Br\n0.066570 0.861984 0.330232 Br\n0.232652 0.862050 0.209117 Br\n",
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"nelements": 3,
"elements": [
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"La",
"Br"
],
"chemical_system": "Br-Ca-La",
"density": 4.359955821382001,
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"volume": 2812.327628593088,
"volume_molar": 18.017268981515507,
"formula_full": "Ca18 La10 Br66",
"formula_reduced": "Ca9La5Br33",
"formula_anonymous": "A5B9C33",
"energy": -411.20801741,
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"updated_at": "2021-11-28T01:37:30.593000Z",
"spacegroup": 2
},
{
"id": "mp-1228433",
"created_at": "2022-09-04T14:46:20.783982Z",
"structure_string": "Ba2 Na1 Sn6 As6\n1.0\n6.331293 3.660300 0.000000\n-6.331293 3.660300 0.000000\n0.000000 2.452742 9.507377\nBa Na Sn As\n2 1 6 6\ndirect\n0.666582 0.333418 0.000000 Ba\n0.333418 0.666582 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.540491 0.875158 0.374285 Sn\n0.209947 0.209947 0.373665 Sn\n0.875158 0.540491 0.374285 Sn\n0.459509 0.124842 0.625715 Sn\n0.124842 0.459509 0.625715 Sn\n0.790053 0.790053 0.626335 Sn\n0.405384 0.405384 0.769404 As\n0.076690 0.748378 0.769801 As\n0.748378 0.076690 0.769801 As\n0.594616 0.594616 0.230596 As\n0.251622 0.923310 0.230199 As\n0.923310 0.251622 0.230199 As\n",
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],
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"formula_full": "Ba2 Na1 Sn6 As6",
"formula_reduced": "Ba2Na(SnAs)6",
"formula_anonymous": "AB2C6D6",
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"updated_at": "2021-11-28T01:37:25.200000Z",
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}
]
}