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{
"id": "mp-1095353",
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"structure_string": "Ir4 O8\n1.0\n4.942579 0.000000 0.000000\n0.000000 4.942579 0.000000\n0.000000 0.000000 4.942579\nIr O\n4 8\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.152166 0.847834 0.347834 O\n0.847834 0.347834 0.152166 O\n0.347834 0.152166 0.847834 O\n0.652166 0.652166 0.652166 O\n0.847834 0.152166 0.652166 O\n0.152166 0.652166 0.847834 O\n0.652166 0.847834 0.152166 O\n0.347834 0.347834 0.347834 O\n",
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{
"id": "mp-758390",
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"structure_string": "Li4 Ni4 P4 O16\n1.0\n0.000016 0.000032 4.886394\n9.028977 -0.000034 0.000032\n-0.000013 6.305120 0.000038\nLi Ni P O\n4 4 4 16\ndirect\n0.479337 0.163441 0.749993 Li\n0.979306 0.336566 0.250019 Li\n0.020704 0.663451 0.750014 Li\n0.520700 0.836550 0.250006 Li\n0.999954 0.999936 0.499688 Ni\n0.499602 0.499784 0.500219 Ni\n0.000130 0.000180 0.999944 Ni\n0.499953 0.500084 0.000101 Ni\n0.475999 0.178623 0.250002 P\n0.975948 0.321362 0.750014 P\n0.024023 0.678630 0.250007 P\n0.524071 0.821361 0.750013 P\n0.787160 0.135169 0.250000 O\n0.287135 0.364833 0.749997 O\n0.712847 0.635158 0.250014 O\n0.212861 0.864848 0.749989 O\n0.924426 0.147610 0.749948 O\n0.424396 0.352367 0.250029 O\n0.575626 0.647578 0.750035 O\n0.075658 0.852402 0.249945 O\n0.340211 0.119459 0.047348 O\n0.340162 0.119431 0.452625 O\n0.840150 0.380562 0.952676 O\n0.840145 0.380574 0.547364 O\n0.159852 0.619430 0.047361 O\n0.159874 0.619437 0.452639 O\n0.659876 0.880577 0.547345 O\n0.659895 0.880597 0.952667 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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"spacegroup": 62
},
{
"id": "mp-1177190",
"created_at": "2022-09-04T14:40:34.857292Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.778555 0.000000 0.000000\n-4.883961 -8.494069 0.000000\n-0.146288 0.080226 -14.215806\nLi V P O\n8 6 16 58\ndirect\n0.767635 0.670248 0.554864 Li\n0.770502 0.090166 0.060657 Li\n0.318631 0.221476 0.060520 Li\n0.672201 0.910124 0.437814 Li\n0.330597 0.098487 0.558623 Li\n0.695354 0.772791 0.940567 Li\n0.092426 0.317030 0.940724 Li\n0.045833 0.064189 0.490976 Li\n0.564311 0.000581 0.249089 V\n0.429963 0.995887 0.752528 V\n0.568690 0.564873 0.750516 V\n0.430804 0.436735 0.253265 V\n0.001736 0.567025 0.252122 V\n0.994874 0.436843 0.742977 V\n0.919925 0.687272 0.846756 P\n0.774809 0.686797 0.337424 P\n0.917764 0.222879 0.339800 P\n0.666115 0.334551 0.131976 P\n0.661035 0.329751 0.630005 P\n0.772558 0.089894 0.838077 P\n0.682091 0.910794 0.656886 P\n0.321872 0.232257 0.842571 P\n0.678823 0.768236 0.156242 P\n0.313776 0.089014 0.343533 P\n0.222990 0.910236 0.164080 P\n0.335344 0.667542 0.370834 P\n0.333974 0.664146 0.867683 P\n0.080550 0.777721 0.660679 P\n0.222546 0.310011 0.662699 P\n0.085624 0.317021 0.157317 P\n0.991434 0.784872 0.577411 O\n0.914716 0.656108 0.335482 O\n0.746513 0.753942 0.066842 O\n0.749638 0.662397 0.839076 O\n0.910787 0.527035 0.818793 O\n0.815886 0.475249 0.182421 O\n0.924921 0.383462 0.330342 O\n0.000382 0.242621 0.066563 O\n0.918000 0.257064 0.838196 O\n0.675634 0.485894 0.668538 O\n0.617334 0.528213 0.325489 O\n0.809099 0.325568 0.676229 O\n0.669034 0.340851 0.027626 O\n0.661246 0.325380 0.525595 O\n0.668394 0.183262 0.167713 O\n0.482344 0.380660 0.823299 O\n0.517659 0.336599 0.172380 O\n0.742947 0.086019 0.334251 O\n0.792436 0.002082 0.747807 O\n0.759294 0.984796 0.566775 O\n0.760253 0.001991 0.926907 O\n0.619074 0.097676 0.819949 O\n0.509064 0.182536 0.670544 O\n0.661674 0.917140 0.160403 O\n0.468568 0.088983 0.332317 O\n0.342019 0.258871 0.325479 O\n0.793257 0.790194 0.246060 O\n0.773905 0.771779 0.425398 O\n0.203036 0.201263 0.583617 O\n0.656885 0.741528 0.663963 O\n0.525844 0.911066 0.674797 O\n0.342442 0.085657 0.832283 O\n0.488566 0.813270 0.334433 O\n0.378463 0.904722 0.180317 O\n0.229889 0.003783 0.081107 O\n0.230900 0.031350 0.435123 O\n0.197762 0.987238 0.258979 O\n0.254827 0.915668 0.661602 O\n0.486718 0.670335 0.828835 O\n0.519974 0.619164 0.180340 O\n0.337755 0.816088 0.820831 O\n0.334893 0.669890 0.971814 O\n0.332171 0.655028 0.474636 O\n0.188532 0.667882 0.324421 O\n0.381573 0.461745 0.669175 O\n0.331412 0.516501 0.323080 O\n0.083074 0.739148 0.168377 O\n0.007009 0.797725 0.755723 O\n0.005858 0.759077 0.934405 O\n0.081210 0.618110 0.670238 O\n0.184158 0.517820 0.824847 O\n0.093473 0.475459 0.177236 O\n0.254153 0.339206 0.158704 O\n0.251023 0.242075 0.933414 O\n0.201796 0.213580 0.759792 O\n0.084751 0.345720 0.667732 O\n0.998818 0.200587 0.421627 O\n0.993749 0.202421 0.242753 O\n",
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"elements": [
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"O"
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"density": 2.509908067490609,
"density_atomic": 0.07452821447221512,
"volume": 1180.7608785905811,
"volume_molar": 8.08035024406108,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -669.59619765,
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},
{
"id": "mp-5577",
"created_at": "2022-09-04T14:40:42.924998Z",
"structure_string": "Ce1 Ge2 Rh2\n1.0\n-2.088282 2.088282 5.250194\n2.088282 -2.088282 5.250194\n2.088282 2.088282 -5.250194\nCe Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.622445 0.622445 0.000000 Ge\n0.377555 0.377555 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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],
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"density": 8.90635520550851,
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"formula_full": "Ce1 Ge2 Rh2",
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{
"id": "mp-1034352",
"created_at": "2022-09-04T14:40:38.438482Z",
"structure_string": "Mg14 Sn1 C1 O16\n1.0\n8.580721 0.000000 0.000000\n0.000000 8.799135 0.000000\n0.000000 0.000000 4.284281\nMg Sn C O\n14 1 1 16\ndirect\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.269100 0.500000 Mg\n0.000000 0.730900 0.500000 Mg\n0.500000 0.254765 0.500000 Mg\n0.500000 0.745235 0.500000 Mg\n0.259906 -0.000000 0.500000 Mg\n0.245693 0.500000 0.500000 Mg\n0.740094 -0.000000 0.500000 Mg\n0.754307 0.500000 0.500000 Mg\n0.250775 0.260988 0.000000 Mg\n0.250775 0.739012 0.000000 Mg\n0.749225 0.260988 -0.000000 Mg\n0.749225 0.739012 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Sn\n0.000000 0.500000 -0.000000 C\n0.262213 -0.000000 0.000000 O\n0.260523 0.500000 -0.000000 O\n0.737787 -0.000000 -0.000000 O\n0.739477 0.500000 0.000000 O\n0.248864 0.250707 0.500000 O\n0.248864 0.749293 0.500000 O\n0.751136 0.250707 0.500000 O\n0.751136 0.749293 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.238666 0.000000 O\n0.000000 0.761334 -0.000000 O\n0.500000 0.251344 -0.000000 O\n0.500000 0.748656 0.000000 O\n",
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"formula_full": "Mg14 Sn1 C1 O16",
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},
{
"id": "mp-540267",
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"structure_string": "Cr2 P4 O14\n1.0\n6.335876 0.000000 0.000000\n-0.511751 -6.394819 0.000000\n-2.780311 0.112298 -6.319539\nCr P O\n2 4 14\ndirect\n0.098133 0.356809 0.206995 Cr\n0.901867 0.643191 0.793005 Cr\n0.336983 0.611895 0.650330 P\n0.663017 0.388105 0.349670 P\n0.227952 0.862963 0.248625 P\n0.772048 0.137037 0.751375 P\n0.406040 0.387468 0.205580 O\n0.568779 0.100882 0.812991 O\n0.431221 0.899118 0.187009 O\n0.907296 0.944420 0.777286 O\n0.305109 0.805684 0.492492 O\n0.207944 0.647849 0.788885 O\n0.061809 0.668713 0.123404 O\n0.593960 0.612532 0.794420 O\n0.694891 0.194316 0.507508 O\n0.240988 0.413288 0.511840 O\n0.092704 0.055580 0.222714 O\n0.938191 0.331287 0.876596 O\n0.792056 0.352151 0.211115 O\n0.759012 0.586712 0.488160 O\n",
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{
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"structure_string": "V4 Ni2 O12\n1.0\n0.071195 -2.786819 4.134509\n7.569049 -1.726176 -4.127561\n2.951996 4.547111 0.193253\nV Ni O\n4 2 12\ndirect\n0.214119 0.751197 0.704793 V\n0.984290 0.003117 0.962626 V\n0.484306 0.503123 0.462619 V\n0.714105 0.251183 0.204794 V\n0.048275 0.349187 0.750634 Ni\n0.548288 0.849195 0.250688 Ni\n0.456817 0.071311 0.209886 O\n0.956775 0.571289 0.709889 O\n0.948920 0.197395 0.078900 O\n0.448914 0.697387 0.578829 O\n0.507779 0.374927 0.915502 O\n0.007793 0.874951 0.415494 O\n0.996885 0.123880 0.660268 O\n0.496912 0.623850 0.160352 O\n0.616303 0.330884 0.467701 O\n0.116302 0.830894 0.967729 O\n0.102005 0.423505 0.375857 O\n0.602008 0.923529 0.875842 O\n",
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"formula_full": "V4 Ni2 O12",
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{
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}