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{
"id": "mp-1179627",
"created_at": "2022-09-04T14:39:26.052016Z",
"structure_string": "Zn16 N32 Cl64\n1.0\n12.813624 0.000000 -0.142605\n0.000000 8.823028 0.000000\n-0.394877 0.000000 37.197112\nZn N Cl\n16 32 64\ndirect\n0.236704 0.059897 0.479557 Zn\n0.236704 0.940103 0.979557 Zn\n0.247639 0.042423 0.721012 Zn\n0.247639 0.957577 0.221012 Zn\n0.650111 0.125127 0.600130 Zn\n0.650111 0.874873 0.100130 Zn\n0.564719 0.983620 0.854195 Zn\n0.564719 0.016380 0.354195 Zn\n0.853251 0.486824 0.011005 Zn\n0.853251 0.513176 0.511005 Zn\n0.773311 0.392120 0.779149 Zn\n0.773311 0.607880 0.279149 Zn\n0.079298 0.495481 0.898032 Zn\n0.079298 0.504519 0.398032 Zn\n0.233994 0.512820 0.598076 Zn\n0.233994 0.487180 0.098076 Zn\n0.126851 0.013012 0.820438 N\n0.126851 0.986988 0.320438 N\n0.089284 0.929097 0.582075 N\n0.089284 0.070903 0.082075 N\n0.813868 0.015279 0.927419 N\n0.813868 0.984721 0.427419 N\n0.825944 -0.005843 0.700278 N\n0.825944 0.005843 0.200278 N\n0.298886 0.968906 0.668435 N\n0.298886 0.031094 0.168434 N\n0.334121 0.078295 0.944395 N\n0.334121 0.921705 0.444395 N\n0.629271 0.062330 0.543223 N\n0.629271 0.937670 0.043223 N\n0.525528 0.951510 0.780983 N\n0.525528 0.048489 0.280983 N\n0.621774 0.502672 0.676219 N\n0.621774 0.497328 0.176219 N\n0.595362 0.499909 0.944444 N\n0.595362 0.500091 0.444444 N\n0.348993 0.538860 0.556381 N\n0.348993 0.461140 0.056381 N\n0.308521 0.531419 0.823179 N\n0.308521 0.468581 0.323179 N\n0.816593 0.571973 0.816748 N\n0.816593 0.428027 0.316748 N\n0.689983 0.540211 0.582775 N\n0.689983 0.459789 0.082775 N\n0.110858 0.509300 0.956496 N\n0.110858 0.490700 0.456496 N\n0.095298 0.422106 0.701548 N\n0.095298 0.577894 0.201548 N\n0.220124 0.967270 0.584999 Cl\n0.220124 0.032730 0.084999 Cl\n0.112228 0.910346 0.489034 Cl\n0.112228 0.089654 0.989034 Cl\n0.329759 0.257573 0.486215 Cl\n0.329759 0.742427 0.986215 Cl\n0.403804 0.778028 0.453721 Cl\n0.403804 0.221972 0.953721 Cl\n0.248901 0.001897 0.831235 Cl\n0.248901 -0.001897 0.331235 Cl\n0.135239 0.872964 0.729325 Cl\n0.135239 0.127036 0.229325 Cl\n0.347391 0.228382 0.729691 Cl\n0.347391 0.771618 0.229691 Cl\n0.473584 0.815414 0.758595 Cl\n0.473584 0.184586 0.258595 Cl\n0.701755 0.019743 0.703013 Cl\n0.701755 0.980257 0.203013 Cl\n0.813361 0.121108 0.604407 Cl\n0.813361 0.878892 0.104407 Cl\n0.611676 0.676553 0.591051 Cl\n0.611676 0.323447 0.091051 Cl\n0.491296 0.133741 0.613444 Cl\n0.491296 0.866259 0.113444 Cl\n0.691618 0.974837 0.941504 Cl\n0.691618 0.025163 0.441504 Cl\n0.814024 0.048666 0.882064 Cl\n0.814024 0.951334 0.382064 Cl\n0.588371 0.748864 0.854402 Cl\n0.588371 0.251136 0.354402 Cl\n0.529082 0.211533 0.863203 Cl\n0.529082 0.788467 0.363203 Cl\n0.713568 0.493288 0.925308 Cl\n0.713568 0.506712 0.425308 Cl\n0.605599 0.553430 0.988760 Cl\n0.605599 0.446570 0.488760 Cl\n0.890736 0.714330 0.003721 Cl\n0.890736 0.285670 0.503721 Cl\n0.825826 0.254817 0.015811 Cl\n0.825826 0.745183 0.515811 Cl\n0.746225 0.515838 0.682790 Cl\n0.746225 0.484162 0.182790 Cl\n0.609975 0.409015 0.772428 Cl\n0.609975 0.590985 0.272428 Cl\n0.861131 0.733182 0.806624 Cl\n0.861131 0.266818 0.306624 Cl\n0.920797 0.297887 0.767621 Cl\n0.920797 0.702113 0.267621 Cl\n0.188640 0.497515 0.805233 Cl\n0.188640 0.502485 0.305233 Cl\n0.305466 0.552610 0.869221 Cl\n0.305466 0.447390 0.369221 Cl\n0.088582 0.258689 0.891886 Cl\n0.088582 0.741311 0.391886 Cl\n0.032199 0.722803 0.890159 Cl\n0.032199 0.277197 0.390159 Cl\n0.114233 0.420049 0.565030 Cl\n0.114233 0.579951 0.065030 Cl\n0.321774 0.585300 0.643466 Cl\n0.321774 0.414700 0.143466 Cl\n0.057238 0.325126 0.666791 Cl\n0.057238 0.674874 0.166791 Cl\n0.053535 0.814559 0.616598 Cl\n0.053535 0.185441 0.116598 Cl\n",
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"elements": [
"Zn",
"N",
"Cl"
],
"chemical_system": "Cl-N-Zn",
"density": 1.4863543861459805,
"density_atomic": 0.026636090363464874,
"volume": 4204.821295906988,
"volume_molar": 22.60895153089062,
"formula_full": "Zn16 N32 Cl64",
"formula_reduced": "Zn(NCl2)2",
"formula_anonymous": "AB2C4",
"energy": -379.34325946,
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"updated_at": "2021-11-28T01:34:37.170000Z",
"spacegroup": 7
},
{
"id": "mp-1076891",
"created_at": "2022-09-04T14:46:12.716510Z",
"structure_string": "K16 Na16 Mo24 W8 O80\n1.0\n0.008383 0.003500 11.524679\n11.749514 -0.004568 0.008597\n-5.885207 15.459614 -5.762228\nK Na Mo W O\n16 16 24 8 80\ndirect\n0.305557 0.066357 0.109448 K\n0.304692 0.562928 0.108994 K\n0.806497 0.065222 0.111329 K\n0.805688 0.563257 0.109795 K\n0.199670 0.936001 0.394101 K\n0.193341 0.929204 0.883804 K\n0.699884 0.435742 0.394960 K\n0.693645 0.430532 0.885984 K\n0.698901 0.934359 0.394559 K\n0.057966 0.295761 0.109921 K\n0.055016 0.792521 0.107972 K\n0.554475 0.293481 0.108150 K\n0.555285 0.794501 0.107253 K\n0.450297 0.710217 0.395200 K\n0.442027 0.705816 0.884523 K\n0.943384 0.703862 0.884270 K\n0.298466 0.069813 0.602506 Na\n0.299972 0.562901 0.598862 Na\n0.801269 0.067006 0.602419 Na\n0.797364 0.566467 0.600353 Na\n0.201822 0.436783 0.402673 Na\n0.199200 0.435332 0.898483 Na\n0.697659 0.934896 0.897171 Na\n0.050480 0.282549 0.601217 Na\n0.049103 0.785388 0.599476 Na\n0.549687 0.285266 0.600427 Na\n0.550846 0.784313 0.601068 Na\n0.451589 0.214802 0.403607 Na\n0.448828 0.212152 0.897978 Na\n0.950863 0.216049 0.403100 Na\n0.947336 0.212750 0.897713 Na\n0.950361 0.715205 0.402256 Na\n0.006338 0.999072 0.996456 Mo\n0.014023 0.001635 0.504017 Mo\n0.005408 0.496475 0.996149 Mo\n0.013486 0.501146 0.501137 Mo\n0.505487 0.998711 0.994489 Mo\n0.513395 0.004880 0.505730 Mo\n0.506165 0.496838 0.996650 Mo\n0.514361 0.500860 0.504719 Mo\n0.255838 0.249134 0.995920 Mo\n0.263776 0.253346 0.503792 Mo\n0.255397 0.746451 0.995253 Mo\n0.262520 0.749299 0.503036 Mo\n0.756810 0.245582 0.994470 Mo\n0.766182 0.250931 0.504166 Mo\n0.755708 0.749738 0.996559 Mo\n0.764514 0.752521 0.505507 Mo\n0.098029 0.105754 0.257036 Mo\n0.096477 0.593336 0.256522 Mo\n0.597732 0.099673 0.254614 Mo\n0.599197 0.592584 0.251608 Mo\n0.345912 0.403300 0.257159 Mo\n0.348287 0.913933 0.252173 Mo\n0.853833 0.405964 0.253781 Mo\n0.851408 0.910370 0.254887 Mo\n0.088966 0.098272 0.748198 W\n0.088170 0.584462 0.739315 W\n0.586479 0.089695 0.746787 W\n0.588180 0.590739 0.743376 W\n0.337761 0.400148 0.748788 W\n0.337930 0.906543 0.740289 W\n0.842227 0.399260 0.744180 W\n0.835399 0.909989 0.746522 W\n0.128259 0.124330 0.489048 O\n0.123299 0.121752 0.985151 O\n0.126826 0.615637 0.482225 O\n0.124650 0.613842 0.983969 O\n0.630121 0.124540 0.492347 O\n0.624420 0.116406 0.981939 O\n0.631471 0.622745 0.493279 O\n0.624368 0.619271 0.986644 O\n0.133430 0.376880 0.003847 O\n0.146078 0.386600 0.519086 O\n0.135351 0.876870 0.007036 O\n0.144083 0.880596 0.518978 O\n0.633788 0.374451 0.005420 O\n0.646025 0.383187 0.520947 O\n0.635575 0.879428 0.005555 O\n0.647184 0.887266 0.524183 O\n0.381167 0.122266 0.488524 O\n0.374839 0.118993 0.982463 O\n0.378339 0.615961 0.490787 O\n0.372682 0.613806 0.985132 O\n0.882672 0.119641 0.488339 O\n0.874133 0.115306 0.982596 O\n0.882840 0.621555 0.489814 O\n0.874434 0.617367 0.986869 O\n0.383957 0.377956 0.004684 O\n0.395737 0.385224 0.518825 O\n0.384372 0.879481 0.006185 O\n0.396860 0.889753 0.525035 O\n0.886121 0.376581 0.006072 O\n0.897789 0.386046 0.520433 O\n0.882994 0.880245 0.005570 O\n0.896248 0.886004 0.521066 O\n0.075386 0.089503 0.138854 O\n0.091413 0.105895 0.638517 O\n0.077495 0.585620 0.141473 O\n0.092085 0.611259 0.638236 O\n0.574981 0.089002 0.137731 O\n0.587982 0.110572 0.641985 O\n0.577662 0.590161 0.137520 O\n0.593466 0.610731 0.638876 O\n0.447971 0.390959 0.364838 O\n0.439439 0.393659 0.858207 O\n0.445662 0.908763 0.364443 O\n0.444029 0.912557 0.855213 O\n0.951371 0.390492 0.362773 O\n0.938115 0.397105 0.856813 O\n0.944582 0.893040 0.364131 O\n0.943791 0.910478 0.858405 O\n0.325936 0.302728 0.139169 O\n0.338963 0.283400 0.638649 O\n0.330319 0.799937 0.139959 O\n0.338589 0.775515 0.639258 O\n0.833141 0.299422 0.138567 O\n0.847849 0.276563 0.638313 O\n0.833028 0.801817 0.140528 O\n0.839614 0.784715 0.642186 O\n0.204170 0.223587 0.364254 O\n0.191841 0.213105 0.857621 O\n0.202628 0.709646 0.365218 O\n0.188522 0.692621 0.856262 O\n0.708725 0.207638 0.364744 O\n0.702316 0.198015 0.856821 O\n0.700189 0.704034 0.365052 O\n0.683678 0.707466 0.857013 O\n0.441576 0.071209 0.267170 O\n0.418400 0.069181 0.750619 O\n0.440686 0.545815 0.253446 O\n0.417631 0.541738 0.730969 O\n0.943199 0.068300 0.269405 O\n0.922315 0.065267 0.750062 O\n0.938109 0.566149 0.266980 O\n0.916675 0.544707 0.729042 O\n0.188824 0.448582 0.267690 O\n0.171674 0.433297 0.751554 O\n0.186606 0.956234 0.251565 O\n0.166007 0.937841 0.729660 O\n0.692218 0.448210 0.252817 O\n0.671900 0.435521 0.733281 O\n0.688739 0.952410 0.252229 O\n0.665825 0.933473 0.746977 O\n",
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"formula_full": "K16 Na16 Mo24 W8 O80",
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"updated_at": "2021-11-28T01:37:23.841000Z",
"spacegroup": 1
},
{
"id": "mp-1076606",
"created_at": "2022-09-04T14:39:25.334699Z",
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"formula_full": "K16 Na16 Mo32 O80",
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"elements": [
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"density": 5.329960806493124,
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"updated_at": "2021-11-28T01:34:43.545000Z",
"spacegroup": 1
},
{
"id": "mp-868019",
"created_at": "2022-09-04T14:41:54.848713Z",
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"updated_at": "2021-11-28T01:35:36.193000Z",
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},
{
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{
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}