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{
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{
"id": "mp-1290989",
"created_at": "2022-09-04T14:46:15.305326Z",
"structure_string": "Li2 V6 Zn4 O16\n1.0\n-4.224628 4.215306 -0.021673\n0.012310 4.205846 4.229823\n8.436247 4.223763 -4.223072\nLi V Zn O\n2 6 4 16\ndirect\n0.377223 0.059105 0.313247 Li\n0.374680 0.562011 0.814255 Li\n0.378844 0.816355 0.562235 V\n0.371809 0.061667 0.810204 V\n0.873223 0.564127 0.810904 V\n0.373958 0.310008 0.066005 V\n0.378735 0.562572 0.312906 V\n0.882056 0.056929 0.314927 V\n0.990068 0.992482 0.001715 Zn\n0.991709 0.497143 0.500763 Zn\n0.751056 0.632760 0.120818 Zn\n0.756019 0.134119 0.620766 Zn\n0.625220 0.412376 0.186272 O\n0.629399 0.928689 0.701581 O\n0.123714 0.706414 0.433155 O\n0.130444 0.200036 0.932368 O\n0.158494 0.429271 0.179119 O\n0.162108 0.941309 0.696564 O\n0.590752 0.693324 0.435921 O\n0.579851 0.190863 0.937146 O\n0.113619 0.930522 0.204002 O\n0.127380 0.420886 0.705410 O\n0.124254 0.157243 0.435837 O\n0.119493 0.652558 0.934071 O\n0.622460 0.971982 0.186220 O\n0.637009 0.466124 0.696008 O\n0.633375 0.192682 0.418593 O\n0.623049 0.706443 0.918988 O\n",
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{
"id": "mp-1229154",
"created_at": "2022-09-04T14:46:15.306112Z",
"structure_string": "Ca16 P12 H24 O58\n1.0\n-0.001482 -0.002359 -6.878543\n-3.113569 9.151251 -0.022865\n16.900349 9.127155 -0.896960\nCa P H O\n16 12 24 58\ndirect\n0.762694 0.651738 0.891846 Ca\n0.237306 0.348262 0.108154 Ca\n0.022422 0.324149 0.632308 Ca\n0.977578 0.675851 0.367692 Ca\n0.006121 0.275921 0.928310 Ca\n0.993879 0.724079 0.071690 Ca\n0.530454 0.531173 0.633827 Ca\n0.469546 0.468827 0.366173 Ca\n0.260852 0.908428 0.885355 Ca\n0.739148 0.091572 0.114645 Ca\n0.769815 0.090910 0.780645 Ca\n0.230185 0.909090 0.219355 Ca\n0.504492 0.261518 0.929243 Ca\n0.495508 0.738482 0.070757 Ca\n0.276012 0.537965 0.796988 Ca\n0.723988 0.462035 0.203012 Ca\n0.258022 0.595923 0.956902 P\n0.741978 0.404077 0.043098 P\n0.241444 0.823650 0.700968 P\n0.758556 0.176350 0.299032 P\n0.278308 0.226087 0.765072 P\n0.721692 0.773913 0.234928 P\n0.269624 0.613788 0.508081 P\n0.730376 0.386212 0.491919 P\n0.758268 0.985964 0.943779 P\n0.241732 0.014036 0.056221 P\n0.776360 0.432271 0.792770 P\n0.223640 0.567729 0.207230 P\n0.860151 0.776848 0.649820 H\n0.139849 0.223152 0.350180 H\n0.938281 0.018120 0.653873 H\n0.061719 0.981880 0.346127 H\n0.312931 0.097951 0.598971 H\n0.687069 0.902049 0.401029 H\n0.755015 0.070285 0.614575 H\n0.244985 0.929715 0.385425 H\n0.936784 0.826643 0.775526 H\n0.063216 0.173357 0.224474 H\n0.417808 0.015728 0.707788 H\n0.582192 0.984272 0.292212 H\n0.990973 0.698541 0.544367 H\n0.009027 0.301459 0.455633 H\n0.373763 0.237904 0.545662 H\n0.626237 0.762096 0.454338 H\n0.795090 0.078669 0.499006 H\n0.204910 0.921331 0.500994 H\n0.754997 0.917409 0.510245 H\n0.245003 0.082591 0.489755 H\n0.737555 0.789615 0.746068 H\n0.262445 0.210385 0.253932 H\n0.636595 0.813284 0.640670 H\n0.363405 0.186716 0.359330 H\n0.267076 0.247428 0.844328 O\n0.732924 0.752572 0.155672 O\n0.466815 0.679206 0.517239 O\n0.533185 0.320794 0.482761 O\n0.321818 0.681579 0.687397 O\n0.678182 0.318421 0.312603 O\n0.410548 0.937829 0.676198 O\n0.589452 0.062171 0.323802 O\n0.083912 0.169748 0.744080 O\n0.916088 0.830252 0.255920 O\n0.225381 0.494152 0.569698 O\n0.774619 0.505848 0.430302 O\n0.941412 0.001117 0.892279 O\n0.058588 0.998883 0.107721 O\n0.059969 0.869237 0.660732 O\n0.940031 0.130763 0.339268 O\n0.434498 0.689517 0.924819 O\n0.565502 0.310483 0.075181 O\n0.200158 0.810601 0.782774 O\n0.799842 0.189399 0.217226 O\n0.441844 0.118086 0.756009 O\n0.558156 0.881914 0.243991 O\n0.753654 0.842133 0.993542 O\n0.246346 0.157867 0.006458 O\n0.792277 0.419042 0.714281 O\n0.207723 0.580958 0.285719 O\n0.318628 0.371852 0.718391 O\n0.681372 0.628148 0.281609 O\n0.738447 0.000656 0.532821 O\n0.261553 0.999344 0.467179 O\n0.100850 0.733301 0.512241 O\n0.899150 0.266699 0.487759 O\n0.246318 0.577962 0.433614 O\n0.753682 0.422038 0.566386 O\n0.835694 0.093902 0.652353 O\n0.164306 0.906098 0.347647 O\n0.600159 0.521730 0.812071 O\n0.399841 0.478270 0.187929 O\n0.264343 0.189226 0.576790 O\n0.735657 0.810774 0.423210 O\n0.261918 0.453138 0.930220 O\n0.738082 0.546862 0.069780 O\n0.070883 0.679918 0.936257 O\n0.929117 0.320082 0.063743 O\n0.954855 0.501892 0.820478 O\n0.045145 0.498108 0.179522 O\n0.574935 0.006376 0.898599 O\n0.425065 0.993624 0.101401 O\n0.760742 0.109436 0.987126 O\n0.239258 0.890564 0.012874 O\n0.263719 0.572468 0.038936 O\n0.736281 0.427532 0.961064 O\n0.792395 0.829924 0.785350 O\n0.207605 0.170076 0.214650 O\n0.756053 0.282518 0.839386 O\n0.243947 0.717482 0.160614 O\n0.725171 0.735057 0.654831 O\n0.274829 0.264943 0.345169 O\n",
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"density_atomic": 0.08734839038937574,
"volume": 1259.3248657433692,
"volume_molar": 6.89439236734061,
"formula_full": "Ca16 P12 H24 O58",
"formula_reduced": "Ca8P6H12O29",
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"spacegroup": 2
},
{
"id": "mp-1216705",
"created_at": "2022-09-04T14:46:15.308732Z",
"structure_string": "V4 Cu6 Ni2 O12\n1.0\n-4.589112 2.649536 -0.014315\n3.047976 3.480723 5.765979\n1.490392 4.379995 -5.765977\nV Cu Ni O\n4 6 2 12\ndirect\n0.750011 0.250253 0.750251 V\n0.250005 0.748282 0.248276 V\n0.750002 0.583056 0.083066 V\n0.250007 0.085045 0.585038 V\n0.497899 0.166352 0.167009 Cu\n0.002132 0.667022 0.666344 Cu\n0.005501 0.336065 0.337867 Cu\n0.494498 0.837862 0.836069 Cu\n0.005429 0.995560 0.997297 Cu\n0.494506 0.497253 0.495495 Cu\n0.750001 0.916630 0.416631 Ni\n0.250003 0.416651 0.916666 Ni\n0.941878 0.507019 0.826329 O\n0.431170 0.005617 0.327740 O\n0.558108 0.326327 0.007021 O\n0.068845 0.827740 0.505618 O\n0.960568 0.836093 0.158467 O\n0.444210 0.330633 0.648591 O\n0.444201 0.684784 0.002702 O\n0.960551 0.174804 0.497199 O\n0.055792 0.502702 0.184791 O\n0.539458 0.997199 0.674807 O\n0.539441 0.658465 0.336096 O\n0.055788 0.148585 0.830633 O\n",
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{
"id": "mp-628617",
"created_at": "2022-09-04T14:46:15.310219Z",
"structure_string": "Cs8 K4 Cu2 Si4 O16\n1.0\n10.592149 0.000000 0.000000\n0.000000 10.592149 0.000000\n0.000000 0.000000 6.178794\nCs K Cu Si O\n8 4 2 4 16\ndirect\n0.383614 0.863002 0.000000 Cs\n0.616386 0.136998 0.000000 Cs\n0.863002 0.383614 0.000000 Cs\n0.883614 0.636998 0.500000 Cs\n0.136998 0.616386 0.000000 Cs\n0.363002 0.116386 0.500000 Cs\n0.116386 0.363002 0.500000 Cs\n0.636998 0.883614 0.500000 Cs\n0.897099 0.102901 0.500000 K\n0.397099 0.397099 0.000000 K\n0.602901 0.602901 0.000000 K\n0.102901 0.897099 0.500000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.823854 0.823854 0.000000 Si\n0.323854 0.676146 0.500000 Si\n0.176146 0.176146 0.000000 Si\n0.676146 0.323854 0.500000 Si\n0.897636 0.897636 0.207252 O\n0.102364 0.102364 0.792748 O\n0.851978 0.670941 0.000000 O\n0.602364 0.397636 0.292748 O\n0.829059 0.351978 0.500000 O\n0.602364 0.397636 0.707252 O\n0.397636 0.602364 0.292748 O\n0.648022 0.170941 0.500000 O\n0.670941 0.851978 0.000000 O\n0.897636 0.897636 0.792748 O\n0.148022 0.329059 0.000000 O\n0.102364 0.102364 0.207252 O\n0.351978 0.829059 0.500000 O\n0.397636 0.602364 0.707252 O\n0.329059 0.148022 0.000000 O\n0.170941 0.648022 0.500000 O\n",
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{
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{
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{
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{
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{
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