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{
"id": "mp-729018",
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"structure_string": "V4 Cu2 H12 N4 O12\n1.0\n5.713789 0.000000 0.000000\n0.000000 5.645539 0.000000\n0.000000 0.274087 11.601254\nV Cu H N O\n4 2 12 4 12\ndirect\n0.050350 0.996989 0.500615 V\n0.949650 0.996989 0.000615 V\n0.048283 0.531025 0.322502 V\n0.951717 0.531025 0.822501 V\n0.501059 0.761339 0.160520 Cu\n0.498941 0.761339 0.660520 Cu\n0.664734 0.152405 0.239874 H\n0.335266 0.152405 0.739874 H\n0.638673 0.945130 0.342550 H\n0.361327 0.945130 0.842550 H\n0.403780 0.093611 0.296297 H\n0.596220 0.093611 0.796297 H\n0.506647 0.557393 0.467633 H\n0.493353 0.557393 0.967633 H\n0.734030 0.464713 0.544592 H\n0.265970 0.464713 0.044592 H\n0.473699 0.347527 0.567793 H\n0.526301 0.347527 0.067793 H\n0.558606 0.019596 0.271436 N\n0.441394 0.019596 0.771436 N\n0.559163 0.503136 0.548610 N\n0.440837 0.503136 0.048610 N\n0.930688 0.760062 0.414080 O\n0.069312 0.760062 0.914080 O\n0.336940 0.945445 0.537845 O\n0.663060 0.945445 0.037845 O\n0.883295 0.025544 0.615391 O\n0.116705 0.025544 0.115391 O\n0.334509 0.588189 0.286790 O\n0.665491 0.588189 0.786790 O\n0.030951 0.259947 0.408557 O\n0.969049 0.259947 0.908557 O\n0.879527 0.515361 0.206973 O\n0.120473 0.515361 0.706973 O\n",
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"spacegroup": 7
},
{
"id": "mp-531302",
"created_at": "2022-09-04T14:40:19.444578Z",
"structure_string": "La20 Si12 O54\n1.0\n7.305950 0.000000 0.000000\n0.000000 9.963603 0.000000\n0.000000 9.934849 16.914535\nLa Si O\n20 12 54\ndirect\n0.489130 0.757741 0.996317 La\n0.502712 0.994553 0.611012 La\n0.751461 0.661525 0.834441 La\n0.252252 0.667834 0.834039 La\n0.998309 0.760657 0.615637 La\n0.510870 0.757741 0.496317 La\n0.495656 0.221595 0.895717 La\n0.497288 0.994553 0.111012 La\n0.755742 0.327247 0.671504 La\n0.254878 0.337558 0.669640 La\n0.747748 0.667834 0.334039 La\n0.248539 0.661525 0.334441 La\n0.003895 0.999938 0.881404 La\n0.001691 0.760657 0.115637 La\n0.043085 0.229423 0.502668 La\n0.504344 0.221595 0.395717 La\n0.745122 0.337558 0.169640 La\n0.244258 0.327247 0.171504 La\n0.996105 0.999938 0.381404 La\n0.956915 0.229423 0.002668 La\n0.001841 0.966791 0.701797 Si\n0.996876 0.623340 0.985922 Si\n0.505740 0.591172 0.689720 Si\n0.002186 0.407312 0.814025 Si\n0.998159 0.966791 0.201797 Si\n0.003124 0.623340 0.485922 Si\n0.495490 0.383879 0.518741 Si\n0.498557 0.030360 0.797791 Si\n0.494260 0.591172 0.189720 Si\n0.997814 0.407312 0.314025 Si\n0.504510 0.383879 0.018741 Si\n0.501443 0.030360 0.297791 Si\n0.175030 0.743558 0.952899 O\n0.814010 0.736412 0.955001 O\n0.996844 0.865084 0.799742 O\n0.498881 0.840831 0.834015 O\n0.824787 0.907638 0.671480 O\n0.186679 0.911113 0.674271 O\n0.585275 0.967103 0.499981 O\n0.006847 0.987823 0.498663 O\n0.005726 0.529453 0.936606 O\n0.499488 0.662704 0.749033 O\n0.500731 0.504044 0.922320 O\n0.018811 0.599758 0.764288 O\n0.327225 0.651709 0.628807 O\n0.693161 0.646016 0.635954 O\n0.809831 0.374420 0.863744 O\n0.173859 0.337420 0.876566 O\n0.185990 0.736412 0.455001 O\n0.824970 0.743558 0.452899 O\n0.003156 0.865084 0.299742 O\n0.501119 0.840831 0.334015 O\n0.501605 0.398727 0.737761 O\n0.997044 0.515413 0.582729 O\n0.813321 0.911113 0.174271 O\n0.175213 0.907638 0.171480 O\n0.998809 0.329555 0.757455 O\n0.550618 0.475757 0.567123 O\n0.414725 0.967103 0.999981 O\n0.994274 0.529453 0.436606 O\n0.500512 0.662704 0.249033 O\n0.310241 0.089118 0.821596 O\n0.676206 0.081875 0.832345 O\n0.499269 0.504044 0.422320 O\n0.981189 0.599758 0.264288 O\n0.998638 0.154861 0.668430 O\n0.508282 0.130395 0.700397 O\n0.651873 0.248355 0.543543 O\n0.283496 0.336812 0.551286 O\n0.306839 0.646016 0.135954 O\n0.672775 0.651709 0.128807 O\n0.826141 0.337420 0.376566 O\n0.190169 0.374420 0.363744 O\n0.326606 0.143123 0.503590 O\n0.498395 0.398727 0.237761 O\n0.002956 0.515413 0.082729 O\n0.001191 0.329555 0.257455 O\n0.449382 0.475757 0.067123 O\n0.323794 0.081875 0.332345 O\n0.689759 0.089118 0.321596 O\n0.001362 0.154861 0.168430 O\n0.491718 0.130395 0.200397 O\n0.716504 0.336812 0.051286 O\n0.348127 0.248355 0.043543 O\n0.673394 0.143123 0.003590 O\n0.993153 0.987823 0.998663 O\n",
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"formula_full": "La20 Si12 O54",
"formula_reduced": "La10(Si2O9)3",
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"energy": -751.5753609699999,
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{
"id": "mp-763246",
"created_at": "2022-09-04T14:40:19.865769Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n5.384042 0.000000 0.000000\n0.000000 5.546263 0.000000\n0.000000 5.213538 6.184616\nLi Co Si O\n2 2 2 8\ndirect\n0.827221 0.394903 0.278304 Li\n0.172779 0.394903 0.778304 Li\n0.670772 0.008837 0.996338 Co\n0.329228 0.008837 0.496338 Co\n0.181378 0.743665 0.260153 Si\n0.818622 0.743665 0.760153 Si\n0.202069 0.408788 0.305602 O\n0.712517 0.702649 0.966932 O\n0.669779 0.024663 0.535781 O\n0.118945 0.811856 0.735209 O\n0.797931 0.408788 0.805602 O\n0.287483 0.702649 0.466932 O\n0.330221 0.024663 0.035781 O\n0.881055 0.811856 0.235209 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 2.840515363545804,
"density_atomic": 0.07580649155386465,
"volume": 184.68075375909245,
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"formula_full": "Li2 Co2 Si2 O8",
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"spacegroup": 7
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{
"id": "mp-774506",
"created_at": "2022-09-04T14:40:20.495285Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n6.516872 0.000000 0.000000\n0.000000 9.011954 0.000000\n0.000000 0.262846 10.362764\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.233947 0.738197 0.876166 Na\n0.768677 0.738661 0.874159 Na\n0.231323 0.738661 0.374159 Na\n0.766053 0.738197 0.376166 Na\n0.730242 0.267235 0.627844 Na\n0.269758 0.267235 0.127844 Na\n0.504316 0.090033 0.894721 Na\n0.495684 0.090033 0.394721 Na\n0.497356 0.651615 0.610922 Ni\n0.502644 0.651615 0.110922 Ni\n0.001779 0.342374 0.889674 Ni\n0.998221 0.342374 0.389674 Ni\n0.000690 0.573537 0.640963 P\n0.999310 0.573537 0.140963 P\n0.501644 0.422897 0.856156 P\n0.498356 0.422897 0.356156 P\n0.506268 0.926582 0.644040 C\n0.493732 0.926582 0.144040 C\n0.003780 0.071227 0.857897 C\n0.996220 0.071227 0.357897 C\n0.001794 0.932794 0.839952 O\n0.998206 0.932794 0.339952 O\n0.501005 0.865741 0.530435 O\n0.498995 0.865741 0.030435 O\n0.499731 0.832989 0.742435 O\n0.500269 0.832989 0.242435 O\n0.187898 0.671798 0.603503 O\n0.811140 0.671583 0.605564 O\n0.188860 0.671583 0.105564 O\n0.812102 0.671798 0.103503 O\n0.505624 0.570166 0.928748 O\n0.494376 0.570166 0.428748 O\n0.002878 0.540847 0.790254 O\n0.997122 0.540847 0.290254 O\n0.498633 0.461477 0.708094 O\n0.501367 0.461477 0.208094 O\n0.996195 0.427317 0.567425 O\n0.003805 0.427317 0.067425 O\n0.691114 0.321662 0.880944 O\n0.314842 0.325170 0.896958 O\n0.685158 0.325170 0.396958 O\n0.308886 0.321662 0.380944 O\n0.995879 0.170512 0.763845 O\n0.004121 0.170512 0.263845 O\n0.012406 0.130344 0.970773 O\n0.987594 0.130344 0.470773 O\n0.517093 0.065566 0.656494 O\n0.482907 0.065566 0.156494 O\n",
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{
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"structure_string": "Sr2 Pr2 Co4 O12\n1.0\n5.489401 0.000000 0.000000\n0.000000 5.551579 0.000000\n0.000000 5.435582 7.553714\nSr Pr Co O\n2 2 4 12\ndirect\n0.761874 0.248270 0.250999 Sr\n0.238126 0.248270 0.750999 Sr\n0.728894 0.759176 0.749251 Pr\n0.271106 0.759176 0.249251 Pr\n0.752177 0.999978 0.000056 Co\n0.247823 0.999978 0.500056 Co\n0.754149 0.499959 0.500053 Co\n0.245851 0.499959 0.000053 Co\n0.015573 0.185257 0.033804 O\n0.984427 0.185257 0.533804 O\n0.497879 0.799325 0.969157 O\n0.502121 0.799325 0.469157 O\n0.743640 0.698236 0.254209 O\n0.256360 0.698236 0.754209 O\n0.751627 0.319455 0.745979 O\n0.248373 0.319455 0.245979 O\n0.027003 0.772233 0.465882 O\n0.972997 0.772233 0.965882 O\n0.485160 0.218112 0.530610 O\n0.514840 0.218112 0.030610 O\n",
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{
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"structure_string": "Li2 Fe4 P4 O16\n1.0\n5.459035 0.000000 0.000000\n0.000000 7.793060 0.000000\n0.000000 2.122879 8.264554\nLi Fe P O\n2 4 4 16\ndirect\n0.825829 0.640793 0.387364 Li\n0.174171 0.640793 0.887364 Li\n0.845697 0.055370 0.042730 Fe\n0.330774 0.502034 0.269978 Fe\n0.154303 0.055370 0.542730 Fe\n0.669226 0.502034 0.769978 Fe\n0.673636 0.751499 0.012711 P\n0.827273 0.252840 0.332414 P\n0.326364 0.751499 0.512711 P\n0.172727 0.252840 0.832414 P\n0.186495 0.099503 0.989948 O\n0.413759 0.673515 0.057015 O\n0.735309 0.190090 0.184408 O\n0.813196 0.789043 0.162889 O\n0.109923 0.291051 0.322222 O\n0.679723 0.417081 0.345552 O\n0.813505 0.099503 0.489948 O\n0.177652 0.625589 0.434469 O\n0.336458 0.942357 0.399329 O\n0.586241 0.673515 0.557015 O\n0.264691 0.190090 0.684408 O\n0.186804 0.789043 0.662889 O\n0.890077 0.291051 0.822222 O\n0.320277 0.417081 0.845552 O\n0.822348 0.625589 0.934469 O\n0.663542 0.942357 0.899329 O\n",
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"formula_full": "Li2 Fe4 P4 O16",
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{
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"structure_string": "Li4 Co4 P8 O28\n1.0\n5.095254 0.000000 0.000000\n0.000000 8.530884 0.000000\n0.000000 2.518158 12.273436\nLi Co P O\n4 4 8 28\ndirect\n0.512818 0.376333 0.688016 Li\n0.028931 0.412902 0.084383 Li\n0.487182 0.876333 0.188016 Li\n0.971069 0.912902 0.584383 Li\n0.986629 0.750903 0.019865 Co\n0.013371 0.250903 0.519865 Co\n0.488115 0.765062 0.468069 Co\n0.511885 0.265062 0.968069 Co\n0.487062 0.032987 0.638801 P\n0.999533 0.969488 0.355652 P\n0.514626 0.425305 0.383842 P\n0.512938 0.532987 0.138801 P\n0.485374 0.925305 0.883842 P\n0.000467 0.469488 0.855652 P\n0.000990 0.072836 0.117212 P\n0.999010 0.572836 0.617212 P\n0.791371 0.837227 0.367196 O\n0.422456 0.418011 0.065585 O\n0.296103 0.079982 0.095189 O\n0.855409 0.220849 0.054569 O\n0.661290 0.790032 0.940645 O\n0.195981 0.891263 0.914745 O\n0.034742 0.566110 0.943976 O\n0.208629 0.337227 0.867196 O\n0.719114 0.405994 0.847327 O\n0.570590 0.092462 0.895470 O\n0.522495 0.918298 0.757890 O\n0.049797 0.593823 0.742341 O\n0.577544 0.918011 0.565585 O\n0.703897 0.579982 0.595189 O\n0.126455 0.411074 0.611595 O\n0.334226 0.679584 0.128876 O\n0.665774 0.179584 0.628876 O\n0.193250 0.073438 0.631771 O\n0.144591 0.720849 0.554569 O\n0.280886 0.905994 0.347327 O\n0.338710 0.290032 0.440645 O\n0.429410 0.592462 0.395470 O\n0.804019 0.391263 0.414745 O\n0.965258 0.066110 0.443976 O\n0.477505 0.418298 0.257890 O\n0.950203 0.093823 0.242341 O\n0.873545 0.911074 0.111595 O\n0.806750 0.573438 0.131771 O\n",
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{
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}