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{
"id": "mp-764817",
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"structure_string": "Li4 Mg22 W24 O96\n1.0\n10.791981 0.000000 0.000000\n0.000000 10.513398 0.000000\n0.000000 0.160851 17.847396\nLi Mg W O\n4 22 24 96\ndirect\n0.500000 0.381098 0.708528 Li\n0.000000 0.622695 0.293262 Li\n0.500000 0.877910 0.708785 Li\n0.000000 0.949400 0.750865 Li\n0.500000 0.050530 0.250507 Mg\n0.171632 0.129222 0.471442 Mg\n0.828368 0.129222 0.471442 Mg\n0.676478 0.120168 0.968505 Mg\n0.323522 0.120168 0.968505 Mg\n0.000000 0.211847 0.749741 Mg\n0.500000 0.300359 0.248798 Mg\n0.171455 0.377982 0.028204 Mg\n0.828545 0.377982 0.028204 Mg\n0.676810 0.370258 0.531713 Mg\n0.323190 0.370258 0.531713 Mg\n0.500000 0.550279 0.250391 Mg\n0.173580 0.628554 0.471888 Mg\n0.826420 0.628554 0.471888 Mg\n0.323157 0.620384 0.968487 Mg\n0.676843 0.620384 0.968487 Mg\n0.000000 0.683284 0.751983 Mg\n0.500000 0.801005 0.249236 Mg\n0.827160 0.880116 0.028038 Mg\n0.172840 0.880116 0.028038 Mg\n0.677233 0.871823 0.530735 Mg\n0.322767 0.871823 0.530735 Mg\n0.000000 0.110496 0.943590 W\n0.723199 0.110036 0.657856 W\n0.276801 0.110036 0.657856 W\n0.226980 0.137863 0.156691 W\n0.773020 0.137863 0.156691 W\n0.500000 0.140197 0.443622 W\n0.000000 0.360469 0.555066 W\n0.274558 0.362813 0.842999 W\n0.725442 0.362813 0.842999 W\n0.225823 0.391930 0.343711 W\n0.774177 0.391930 0.343711 W\n0.500000 0.389914 0.056779 W\n0.000000 0.611774 0.946346 W\n0.718970 0.611778 0.657086 W\n0.281030 0.611778 0.657086 W\n0.227103 0.639207 0.156575 W\n0.772897 0.639207 0.156575 W\n0.500000 0.640419 0.442997 W\n0.000000 0.858526 0.556723 W\n0.271653 0.861311 0.841722 W\n0.728347 0.861311 0.841722 W\n0.223860 0.889646 0.342301 W\n0.776140 0.889646 0.342301 W\n0.500000 0.890015 0.056787 W\n0.142664 0.024381 0.379976 O\n0.857336 0.024381 0.379976 O\n0.500000 0.031911 0.995534 O\n0.735621 0.038325 0.072569 O\n0.264379 0.038325 0.072569 O\n0.633019 0.041001 0.465036 O\n0.366981 0.041001 0.465036 O\n0.137266 0.038670 0.214570 O\n0.862734 0.038670 0.214570 O\n0.869966 0.079330 0.705337 O\n0.130034 0.079330 0.705337 O\n0.000000 0.076366 0.845456 O\n0.500000 0.176038 0.343232 O\n0.625669 0.176157 0.206171 O\n0.374331 0.176157 0.206171 O\n0.134461 0.208145 0.966359 O\n0.865539 0.208145 0.966359 O\n0.238865 0.205866 0.571231 O\n0.761135 0.205866 0.571231 O\n0.629914 0.215992 0.709022 O\n0.370086 0.215992 0.709022 O\n0.000000 0.218879 0.493190 O\n0.639377 0.228600 0.880194 O\n0.360623 0.228600 0.880194 O\n0.142672 0.273909 0.121456 O\n0.857328 0.273909 0.121456 O\n0.500000 0.281787 0.503882 O\n0.632957 0.291262 0.035772 O\n0.367043 0.291262 0.035772 O\n0.737346 0.291170 0.427742 O\n0.262654 0.291170 0.427742 O\n0.135066 0.293157 0.288423 O\n0.864934 0.293157 0.288423 O\n0.000000 0.312881 0.650242 O\n0.134957 0.311930 0.798008 O\n0.865043 0.311930 0.798008 O\n0.500000 0.426844 0.156940 O\n0.626338 0.425932 0.293550 O\n0.373662 0.425932 0.293550 O\n0.136699 0.458338 0.534316 O\n0.863301 0.458338 0.534316 O\n0.634012 0.457636 0.780674 O\n0.365988 0.457636 0.780674 O\n0.235569 0.462946 0.927840 O\n0.764431 0.462946 0.927840 O\n0.000000 0.465900 0.006483 O\n0.635065 0.470686 0.622489 O\n0.364935 0.470686 0.622489 O\n0.138530 0.530235 0.376657 O\n0.861470 0.530235 0.376657 O\n0.500000 0.532511 0.995786 O\n0.737060 0.537820 0.073961 O\n0.262940 0.537820 0.073961 O\n0.633621 0.541062 0.463629 O\n0.366379 0.541062 0.463629 O\n0.131751 0.547154 0.216491 O\n0.868249 0.547154 0.216491 O\n0.135641 0.580597 0.702487 O\n0.864359 0.580597 0.702487 O\n0.000000 0.577836 0.849278 O\n0.500000 0.676325 0.342670 O\n0.625849 0.676492 0.206044 O\n0.374151 0.676492 0.206044 O\n0.135213 0.710146 0.967631 O\n0.864787 0.710146 0.967631 O\n0.240643 0.707637 0.570460 O\n0.759357 0.707637 0.570460 O\n0.628875 0.719764 0.709692 O\n0.371125 0.719764 0.709692 O\n0.000000 0.717535 0.494225 O\n0.642326 0.727537 0.878842 O\n0.357674 0.727537 0.878842 O\n0.144510 0.775417 0.121503 O\n0.855490 0.775417 0.121503 O\n0.500000 0.781372 0.503688 O\n0.632757 0.790601 0.035686 O\n0.367243 0.790601 0.035686 O\n0.735732 0.791167 0.426631 O\n0.264268 0.791167 0.426631 O\n0.129511 0.784210 0.291223 O\n0.870489 0.784210 0.291223 O\n0.000000 0.817012 0.653859 O\n0.127981 0.816837 0.795244 O\n0.872019 0.816837 0.795244 O\n0.500000 0.925947 0.156964 O\n0.627273 0.924926 0.293130 O\n0.372727 0.924926 0.293130 O\n0.135125 0.957694 0.535511 O\n0.864875 0.957694 0.535511 O\n0.635093 0.957331 0.781615 O\n0.364907 0.957331 0.781615 O\n0.764266 0.961688 0.926419 O\n0.235734 0.961688 0.926419 O\n0.000000 0.966163 0.004809 O\n0.637617 0.970903 0.623155 O\n0.362383 0.970903 0.623155 O\n",
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"elements": [
"Li",
"Mg",
"W",
"O"
],
"chemical_system": "Li-Mg-O-W",
"density": 5.33887065735543,
"density_atomic": 0.0720997432567459,
"volume": 2024.972536727303,
"volume_molar": 8.352513459798692,
"formula_full": "Li4 Mg22 W24 O96",
"formula_reduced": "Li2Mg11(WO4)12",
"formula_anonymous": "A2B11C12D48",
"energy": -1186.04443424,
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"total_magnetization": 0.0043234,
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"updated_at": "2021-11-28T01:34:43.088000Z",
"spacegroup": 6
},
{
"id": "mp-559829",
"created_at": "2022-09-04T14:46:55.378702Z",
"structure_string": "Si48 O96\n1.0\n-10.471158 10.471158 10.471158\n10.471158 -10.471158 10.471158\n10.471158 10.471158 -10.471158\nSi O\n48 96\ndirect\n0.168114 0.154616 0.857913 Si\n0.154616 0.857913 0.168114 Si\n0.703297 0.857913 0.189799 Si\n0.513499 0.703297 0.345384 Si\n0.689799 0.831886 0.486501 Si\n0.345384 0.513499 0.703297 Si\n0.845384 0.203297 0.013499 Si\n0.203297 0.013499 0.845384 Si\n0.986501 0.331886 0.189799 Si\n0.831886 0.845384 0.142087 Si\n0.857913 0.168114 0.154616 Si\n0.845384 0.142087 0.831886 Si\n0.654616 0.486501 0.296703 Si\n0.296703 0.142087 0.810201 Si\n0.654616 0.668114 0.357913 Si\n0.986501 0.154616 0.796703 Si\n0.642087 0.796703 0.310201 Si\n0.331886 0.642087 0.345384 Si\n0.810201 0.013499 0.668114 Si\n0.513499 0.310201 0.168114 Si\n0.310201 0.168114 0.513499 Si\n0.296703 0.654616 0.486501 Si\n0.013499 0.845384 0.203297 Si\n0.331886 0.189799 0.986501 Si\n0.357913 0.203297 0.689799 Si\n0.154616 0.796703 0.986501 Si\n0.203297 0.689799 0.357913 Si\n0.689799 0.357913 0.203297 Si\n0.703297 0.345384 0.513499 Si\n0.345384 0.331886 0.642087 Si\n0.486501 0.689799 0.831886 Si\n0.189799 0.986501 0.331886 Si\n0.168114 0.513499 0.310201 Si\n0.810201 0.296703 0.142087 Si\n0.831886 0.486501 0.689799 Si\n0.857913 0.189799 0.703297 Si\n0.142087 0.831886 0.845384 Si\n0.668114 0.357913 0.654616 Si\n0.796703 0.310201 0.642087 Si\n0.357913 0.654616 0.668114 Si\n0.642087 0.345384 0.331886 Si\n0.310201 0.642087 0.796703 Si\n0.486501 0.296703 0.654616 Si\n0.796703 0.986501 0.154616 Si\n0.013499 0.668114 0.810201 Si\n0.668114 0.810201 0.013499 Si\n0.142087 0.810201 0.296703 Si\n0.189799 0.703297 0.857913 Si\n0.783706 0.452921 0.580604 O\n0.830785 0.127683 0.047079 O\n0.750000 0.964886 0.214886 O\n0.214886 0.964886 0.250000 O\n0.372317 0.669215 0.452921 O\n0.035114 0.785114 0.250000 O\n0.250000 0.035114 0.785114 O\n0.169215 0.796898 0.216294 O\n0.591605 0.750000 0.908395 O\n0.080604 0.952921 0.283706 O\n0.330785 0.547079 0.627683 O\n0.535114 0.750000 0.285114 O\n0.183210 0.841605 0.091605 O\n0.203102 0.783706 0.830785 O\n0.964886 0.250000 0.214886 O\n0.580604 0.296898 0.127683 O\n0.952921 0.283706 0.080604 O\n0.669215 0.716294 0.296898 O\n0.785114 0.250000 0.035114 O\n0.047079 0.716294 0.919396 O\n0.250000 0.091605 0.408395 O\n0.283706 0.080604 0.952921 O\n0.872317 0.419396 0.703102 O\n0.547079 0.419396 0.216294 O\n0.158395 0.750000 0.341605 O\n0.216294 0.169215 0.796898 O\n0.658395 0.316790 0.408395 O\n0.964886 0.214886 0.750000 O\n0.716294 0.919396 0.047079 O\n0.841605 0.250000 0.658395 O\n0.047079 0.830785 0.127683 O\n0.419396 0.216294 0.547079 O\n0.285114 0.535114 0.750000 O\n0.919396 0.372317 0.203102 O\n0.464886 0.714886 0.750000 O\n0.330785 0.283706 0.703102 O\n0.785114 0.035114 0.750000 O\n0.214886 0.750000 0.964886 O\n0.341605 0.683210 0.591605 O\n0.750000 0.785114 0.035114 O\n0.591605 0.341605 0.683210 O\n0.250000 0.535114 0.285114 O\n0.408395 0.658395 0.316790 O\n0.452921 0.372317 0.669215 O\n0.547079 0.627683 0.330785 O\n0.250000 0.214886 0.964886 O\n0.464886 0.250000 0.714886 O\n0.830785 0.203102 0.783706 O\n0.816790 0.158395 0.908395 O\n0.216294 0.547079 0.419396 O\n0.908395 0.816790 0.158395 O\n0.452921 0.580604 0.783706 O\n0.158395 0.908395 0.816790 O\n0.250000 0.658395 0.841605 O\n0.714886 0.750000 0.464886 O\n0.783706 0.830785 0.203102 O\n0.283706 0.703102 0.330785 O\n0.580604 0.783706 0.452921 O\n0.419396 0.703102 0.872317 O\n0.203102 0.919396 0.372317 O\n0.250000 0.714886 0.464886 O\n0.127683 0.047079 0.830785 O\n0.296898 0.669215 0.716294 O\n0.127683 0.580604 0.296898 O\n0.372317 0.203102 0.919396 O\n0.750000 0.908395 0.591605 O\n0.919396 0.047079 0.716294 O\n0.796898 0.216294 0.169215 O\n0.669215 0.452921 0.372317 O\n0.796898 0.080604 0.627683 O\n0.750000 0.341605 0.158395 O\n0.750000 0.285114 0.535114 O\n0.908395 0.591605 0.750000 O\n0.091605 0.183210 0.841605 O\n0.952921 0.169215 0.872317 O\n0.872317 0.952921 0.169215 O\n0.627683 0.330785 0.547079 O\n0.035114 0.750000 0.785114 O\n0.169215 0.872317 0.952921 O\n0.285114 0.250000 0.535114 O\n0.296898 0.127683 0.580604 O\n0.627683 0.796898 0.080604 O\n0.341605 0.158395 0.750000 O\n0.316790 0.408395 0.658395 O\n0.703102 0.872317 0.419396 O\n0.841605 0.091605 0.183210 O\n0.683210 0.591605 0.341605 O\n0.703102 0.330785 0.283706 O\n0.080604 0.627683 0.796898 O\n0.408395 0.250000 0.091605 O\n0.750000 0.464886 0.714886 O\n0.658395 0.841605 0.250000 O\n0.716294 0.296898 0.669215 O\n0.535114 0.285114 0.250000 O\n0.091605 0.408395 0.250000 O\n0.714886 0.464886 0.250000 O\n",
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"elements": [
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],
"chemical_system": "O-Si",
"density": 1.042814859958526,
"density_atomic": 0.03135583442992674,
"volume": 4592.44675251133,
"volume_molar": 19.205806094741742,
"formula_full": "Si48 O96",
"formula_reduced": "SiO2",
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"updated_at": "2021-11-28T01:37:45.935000Z",
"spacegroup": 230
},
{
"id": "mp-1199453",
"created_at": "2022-09-04T14:41:57.835796Z",
"structure_string": "K24 Li24 Mo24 O96\n1.0\n0.000000 0.000000 -9.114670\n-9.664131 -16.738768 0.000000\n-9.664202 16.738809 0.000000\nK Li Mo O\n24 24 24 96\ndirect\n0.230696 1.000000 1.000000 K\n0.730696 0.000000 0.000000 K\n0.239830 0.333386 0.666693 K\n0.739830 0.666614 0.333307 K\n0.168104 0.666637 0.333319 K\n0.668104 0.333363 0.666681 K\n0.175420 0.154387 0.325371 K\n0.175417 0.674631 0.829019 K\n0.175417 0.170982 0.845610 K\n0.675420 0.845613 0.674628 K\n0.675417 0.325369 0.170981 K\n0.675417 0.829018 0.154390 K\n0.199405 0.000827 0.496934 K\n0.199405 0.503066 0.503892 K\n0.199405 0.496107 0.999173 K\n0.699405 0.999173 0.503066 K\n0.699405 0.496934 0.496108 K\n0.699405 0.503893 0.000827 K\n0.242827 0.837855 0.176446 K\n0.242825 0.823557 0.661410 K\n0.242827 0.338588 0.162145 K\n0.742826 0.162145 0.823554 K\n0.742825 0.176443 0.338590 K\n0.742827 0.661412 0.837855 K\n0.378360 0.171683 0.161105 Li\n0.378360 0.838896 0.010578 Li\n0.378359 0.989421 0.828315 Li\n0.878360 0.828317 0.838895 Li\n0.878360 0.161104 0.989422 Li\n0.878359 0.010579 0.171685 Li\n0.540830 0.989299 0.327641 Li\n0.540831 0.672362 0.661659 Li\n0.540832 0.338338 0.010698 Li\n0.040830 0.010701 0.672359 Li\n0.040831 0.327638 0.338341 Li\n0.040832 0.661662 0.989302 Li\n0.543476 0.171527 0.661718 Li\n0.543472 0.338276 0.509802 Li\n0.543470 0.490200 0.828481 Li\n0.043476 0.828473 0.338282 Li\n0.043472 0.661724 0.490198 Li\n0.043470 0.509800 0.171519 Li\n0.538846 0.490966 0.329308 Li\n0.538850 0.670695 0.161661 Li\n0.538854 0.838340 0.509030 Li\n0.038846 0.509034 0.670692 Li\n0.038850 0.329305 0.838339 Li\n0.038854 0.161660 0.490970 Li\n0.495388 0.013228 0.166965 Mo\n0.495387 0.833034 0.846262 Mo\n0.495387 0.153735 0.986770 Mo\n0.995388 0.986772 0.833035 Mo\n0.995387 0.166966 0.153738 Mo\n0.995387 0.846265 0.013230 Mo\n0.425757 0.333417 0.345169 Mo\n0.425756 0.654831 0.988248 Mo\n0.425761 0.011752 0.666582 Mo\n0.925757 0.666583 0.654831 Mo\n0.925756 0.345169 0.011752 Mo\n0.925761 0.988248 0.333418 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{
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"created_at": "2022-09-04T14:40:05.675607Z",
"structure_string": "Ca32 Mn24 Al8 O92\n1.0\n10.782240 -0.007032 -0.031843\n-0.009700 15.094284 0.016490\n-0.031176 0.011651 10.678460\nCa Mn Al O\n32 24 8 92\ndirect\n0.020902 0.122781 0.496873 Ca\n0.018440 0.120924 0.996877 Ca\n0.022352 0.624480 0.495418 Ca\n0.025414 0.623606 0.996399 Ca\n0.513599 0.131083 0.502292 Ca\n0.525706 0.124875 0.979167 Ca\n0.524071 0.624127 0.499314 Ca\n0.516225 0.621931 0.994730 Ca\n0.486361 0.375373 0.998220 Ca\n0.477237 0.380510 0.510208 Ca\n0.484071 0.871975 0.990921 Ca\n0.479525 0.871291 0.512087 Ca\n0.975325 0.380705 0.003922 Ca\n0.981449 0.374692 0.501109 Ca\n0.979024 0.876382 0.008279 Ca\n0.975512 0.876564 0.503639 Ca\n0.233401 0.382761 0.252601 Ca\n0.228659 0.373513 0.736105 Ca\n0.228121 0.878146 0.245621 Ca\n0.234687 0.876595 0.751222 Ca\n0.735968 0.380310 0.246556 Ca\n0.728082 0.375940 0.747837 Ca\n0.738355 0.868022 0.244411 Ca\n0.723550 0.874750 0.744908 Ca\n0.244055 0.122744 0.260431 Ca\n0.272450 0.123180 0.734252 Ca\n0.272197 0.625092 0.251664 Ca\n0.268589 0.622224 0.757641 Ca\n0.773037 0.122060 0.256518 Ca\n0.767752 0.123474 0.755560 Ca\n0.774233 0.623728 0.255263 Ca\n0.773673 0.624741 0.754459 Ca\n-0.000104 0.001435 0.250857 Mn\n0.997629 0.999092 0.751943 Mn\n0.002432 0.499097 0.247508 Mn\n0.003284 0.498930 0.750855 Mn\n0.499222 0.501253 0.250789 Mn\n0.498623 0.499937 0.752541 Mn\n0.254682 0.007162 0.003045 Mn\n0.251232 0.499995 0.499862 Mn\n0.749143 0.998540 0.995990 Mn\n0.742463 0.000854 0.501512 Mn\n0.748856 0.501077 0.000639 Mn\n0.752066 0.499467 0.500796 Mn\n0.250601 0.749428 0.003998 Mn\n0.250761 0.751734 0.499273 Mn\n0.752793 0.247764 0.001371 Mn\n0.751896 0.249068 0.502436 Mn\n0.750041 0.748777 0.999151 Mn\n0.750604 0.749696 0.500304 Mn\n0.999039 0.248977 0.743863 Mn\n0.001813 0.749546 0.250103 Mn\n0.001612 0.750764 0.750490 Mn\n0.500629 0.248797 0.743625 Mn\n0.501105 0.749231 0.252171 Mn\n0.498612 0.749597 0.750732 Mn\n0.514664 0.981721 0.234015 Al\n0.497016 0.999501 0.744830 Al\n0.233528 0.995766 0.514452 Al\n0.250494 0.495969 0.003859 Al\n0.254949 0.245641 0.962253 Al\n0.247131 0.247017 0.489651 Al\n0.987303 0.249615 0.270167 Al\n0.520754 0.262110 0.268164 Al\n0.105134 0.263751 0.601807 O\n0.105853 0.770827 0.104260 O\n0.104661 0.773064 0.602645 O\n0.576952 0.251962 0.111560 O\n0.602630 0.270302 0.598469 O\n0.606785 0.772483 0.105158 O\n0.604934 0.766943 0.603896 O\n0.394209 0.217065 0.349131 O\n0.398586 0.233663 0.886414 O\n0.396864 0.727693 0.397693 O\n0.397036 0.732992 0.898728 O\n0.894581 0.230355 0.406139 O\n0.898392 0.231391 0.902693 O\n0.896371 0.730886 0.396579 O\n0.896312 0.727643 0.896085 O\n0.141484 0.240525 0.346858 O\n0.140158 0.228496 0.847106 O\n0.147398 0.730269 0.352584 O\n0.148745 0.732636 0.853506 O\n0.653716 0.230646 0.355511 O\n0.648051 0.230258 0.854435 O\n0.647798 0.727490 0.353605 O\n0.645031 0.729664 0.853624 O\n0.359743 0.263611 0.632062 O\n0.355755 0.772770 0.148298 O\n0.353120 0.770173 0.646865 O\n0.863535 0.269246 0.144909 O\n0.850478 0.270812 0.650480 O\n0.857118 0.768001 0.143890 O\n0.855241 0.772410 0.646601 O\n0.357115 0.484514 0.145845 O\n0.354735 0.479563 0.646452 O\n0.364424 0.004913 0.171698 O\n0.359408 0.986508 0.633479 O\n0.855334 0.481720 0.144952 O\n0.855785 0.479108 0.647329 O\n0.854297 0.980430 0.146185 O\n0.851239 0.977180 0.645664 O\n0.140105 0.013078 0.362964 O\n0.146353 0.027851 0.859713 O\n0.148179 0.518309 0.352557 O\n0.147558 0.510569 0.857380 O\n0.607391 0.033231 0.353109 O\n0.643401 0.016144 0.853749 O\n0.647268 0.519888 0.353723 O\n0.645104 0.520612 0.854761 O\n0.391872 0.021145 0.894766 O\n0.395992 0.522018 0.397496 O\n0.392403 0.509194 0.897100 O\n0.886298 0.022996 0.392711 O\n0.895144 0.019708 0.897157 O\n0.898176 0.517148 0.395928 O\n0.896248 0.517943 0.897965 O\n0.106127 0.485206 0.104662 O\n0.105369 0.478444 0.603502 O\n0.108659 0.984706 0.107992 O\n0.100938 0.981825 0.613558 O\n0.605668 0.478030 0.106297 O\n0.605780 0.482286 0.604618 O\n0.605998 0.981615 0.097927 O\n0.604175 0.981224 0.603706 O\n0.012583 0.372664 0.272977 O\n0.011121 0.373371 0.788309 O\n0.006400 0.875148 0.287436 O\n0.013032 0.875981 0.794398 O\n0.501568 0.377629 0.288126 O\n0.510054 0.374517 0.783844 O\n0.509830 0.872384 0.293238 O\n0.504062 0.875084 0.778862 O\n0.496580 0.124784 0.717930 O\n0.491344 0.625802 0.209251 O\n0.486339 0.624450 0.715016 O\n0.998497 0.129664 0.215867 O\n0.983628 0.124074 0.709230 O\n0.992165 0.625123 0.211947 O\n0.993702 0.625004 0.712027 O\n0.240041 0.146556 0.050523 O\n0.253341 0.120666 0.511127 O\n0.245512 0.626019 0.032926 O\n0.238765 0.625286 0.540896 O\n0.741148 0.123924 0.040061 O\n0.735164 0.124823 0.542207 O\n0.736769 0.624740 0.040244 O\n0.744623 0.625014 0.539789 O\n0.260677 0.373183 0.466325 O\n0.251313 0.357257 0.010198 O\n0.263822 0.879107 0.460884 O\n0.264509 0.882267 0.970950 O\n0.761458 0.374764 0.460700 O\n0.750855 0.373997 0.966739 O\n0.754804 0.876374 0.458474 O\n0.761404 0.873919 0.959099 O\n",
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"elements": [
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],
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"density": 4.097885543787144,
"density_atomic": 0.0897633193875844,
"volume": 1737.9036455460794,
"volume_molar": 6.708910500510024,
"formula_full": "Ca32 Mn24 Al8 O92",
"formula_reduced": "Ca8Mn6Al2O23",
"formula_anonymous": "A2B6C8D23",
"energy": -1186.94329162,
"energy_per_atom": -7.608610843717949,
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"updated_at": "2021-11-28T01:34:48.098000Z",
"spacegroup": 1
},
{
"id": "mp-1214425",
"created_at": "2022-09-04T14:40:06.741739Z",
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"elements": [
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],
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"density": 2.1591606533275036,
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"volume": 2430.3624385627586,
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"formula_full": "C96 Br8 F72",
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"updated_at": "2021-11-28T01:34:49.376000Z",
"spacegroup": 61
},
{
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"created_at": "2022-09-04T14:42:26.262776Z",
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},
{
"id": "mp-1247577",
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O\n0.504769 0.708321 0.115844 O\n0.708321 0.115844 0.504769 O\n0.615844 0.208321 0.004769 O\n0.208321 0.004769 0.615844 O\n0.004769 0.615844 0.208321 O\n0.884244 0.495228 0.291672 O\n0.495228 0.291672 0.884244 O\n0.291672 0.884244 0.495228 O\n0.384244 0.791672 0.995228 O\n0.791672 0.995228 0.384244 O\n0.995228 0.384244 0.791672 O\n0.367794 0.207855 0.818431 O\n0.207855 0.818431 0.367794 O\n0.818431 0.367794 0.207855 O\n0.867794 0.318431 0.707855 O\n0.318431 0.707855 0.867794 O\n0.707855 0.867794 0.318431 O\n0.632117 0.792454 0.181713 O\n0.792454 0.181713 0.632117 O\n0.181713 0.632117 0.792454 O\n0.132117 0.681713 0.292454 O\n0.681713 0.292454 0.132117 O\n0.292454 0.132117 0.681713 O\n",
"nsites": 216,
"nelements": 5,
"elements": [
"Co",
"H",
"C",
"S",
"O"
],
"chemical_system": "C-Co-H-O-S",
"density": 1.4551365196762904,
"density_atomic": 0.09883316503169372,
"volume": 2185.5011921426712,
"volume_molar": 6.093238801032857,
"formula_full": "Co6 H120 C24 S6 O60",
"formula_reduced": "CoH20C4SO10",
"formula_anonymous": "ABC4D10E20",
"energy": -1188.19735372,
"energy_per_atom": -5.500913674629629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1137.14935372,
"band_gap": 2.5478,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.305000Z",
"spacegroup": 167
}
]
}