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{
"id": "mp-1227453",
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"structure_string": "Ca2 U4 B4 O20\n1.0\n-0.041118 -0.016169 -6.692224\n-0.013316 -8.372167 -0.020896\n-8.322961 -4.196880 0.956625\nCa U B O\n2 4 4 20\ndirect\n0.417285 0.654010 0.678190 Ca\n0.583641 0.332309 0.321515 Ca\n0.000170 0.496332 0.000073 U\n0.555181 0.874674 0.240485 U\n0.446581 0.114300 0.759156 U\n0.001463 0.995569 0.000674 U\n0.841829 0.694053 0.606652 B\n0.159106 0.297136 0.393188 B\n0.076970 0.804973 0.392771 B\n0.923735 0.195008 0.607084 B\n0.673083 0.744541 0.499972 O\n0.327931 0.248305 0.499669 O\n0.072037 0.129113 0.734256 O\n0.928006 0.870628 0.266173 O\n0.232262 0.545537 0.897054 O\n0.767551 0.451562 0.102333 O\n0.555872 0.648260 0.249892 O\n0.443067 0.897000 0.750453 O\n0.562193 0.094560 0.242713 O\n0.441871 0.336687 0.756752 O\n0.811688 0.617948 0.765348 O\n0.188614 0.369372 0.234498 O\n0.311866 0.990511 0.020746 O\n0.692081 0.993536 0.977915 O\n0.034810 0.719848 0.555097 O\n0.966368 0.274368 0.444861 O\n0.276544 0.814992 0.375003 O\n0.723822 0.189073 0.623577 O\n0.987966 0.230304 0.993329 O\n0.014508 0.759391 0.010772 O\n",
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{
"id": "mp-1096370",
"created_at": "2022-09-04T14:48:29.782147Z",
"structure_string": "Li1 Ge2 Ir1\n1.0\n-4.915141 5.167609 7.189573\n4.915141 -5.167609 7.189573\n4.915141 5.167609 -7.189573\nLi Ge Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.264864 0.264864 Ge\n0.000000 0.735136 0.735136 Ge\n0.000000 0.500000 0.500000 Ir\n",
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"formula_full": "Li1 Ge2 Ir1",
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"updated_at": "2021-11-28T01:39:48.593000Z",
"spacegroup": 71
},
{
"id": "mp-755514",
"created_at": "2022-09-04T14:48:28.727114Z",
"structure_string": "Li10 Mn4 Fe6 O20\n1.0\n-1.171625 5.156091 -0.032207\n-2.865808 2.583375 7.194979\n10.211829 0.131099 0.000501\nLi Mn Fe O\n10 4 6 20\ndirect\n0.999992 0.500011 0.250009 Li\n0.999974 0.499969 0.749973 Li\n0.506014 0.418851 0.104193 Li\n0.505995 0.418850 0.604209 Li\n0.494041 0.581147 0.395790 Li\n0.493969 0.581128 0.895782 Li\n0.515167 0.763404 0.188874 Li\n0.515233 0.763648 0.688897 Li\n0.484801 0.236379 0.311106 Li\n0.484804 0.236576 0.811096 Li\n0.009535 0.688691 0.548036 Mn\n0.990507 0.311409 0.452114 Mn\n0.009178 0.688726 0.047779 Mn\n0.990916 0.311217 0.952209 Mn\n0.500081 0.000050 0.000009 Fe\n0.004324 0.888850 0.346410 Fe\n0.995701 0.111122 0.653572 Fe\n0.499963 0.999985 0.499962 Fe\n0.004320 0.888938 0.846515 Fe\n0.995600 0.111066 0.153525 Fe\n0.257564 0.867096 0.022526 O\n0.257601 0.867142 0.522561 O\n0.742421 0.132864 0.477480 O\n0.742416 0.132881 0.977440 O\n0.780966 0.939467 0.165329 O\n0.781013 0.939601 0.665480 O\n0.218968 0.060428 0.334560 O\n0.219019 0.060502 0.834616 O\n0.765330 0.535867 0.067218 O\n0.765256 0.535936 0.567262 O\n0.234713 0.464121 0.432807 O\n0.234640 0.464124 0.932728 O\n0.232781 0.232940 0.117433 O\n0.232692 0.233017 0.617479 O\n0.767311 0.766949 0.382547 O\n0.767201 0.767060 0.882526 O\n0.239526 0.664252 0.221046 O\n0.239685 0.664388 0.721240 O\n0.760368 0.335636 0.278804 O\n0.760417 0.335710 0.778858 O\n",
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"formula_full": "Li10 Mn4 Fe6 O20",
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{
"id": "mp-1214924",
"created_at": "2022-09-04T14:48:30.251015Z",
"structure_string": "Ag2 Sb2 O24\n1.0\n0.000000 5.259616 5.259616\n5.259616 0.000000 5.259616\n5.259616 5.259616 0.000000\nAg Sb O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 Sb\n0.894817 0.282496 0.282496 O\n0.282496 0.894817 0.540191 O\n0.282496 0.540191 0.894817 O\n0.282496 0.894817 0.282496 O\n0.355183 0.967504 0.709809 O\n0.355183 0.967504 0.967504 O\n0.540191 0.282496 0.282496 O\n0.540191 0.282496 0.894817 O\n0.967504 0.355183 0.967504 O\n0.967504 0.355183 0.709809 O\n0.894817 0.282496 0.540191 O\n0.967504 0.709809 0.967504 O\n0.967504 0.709809 0.355183 O\n0.282496 0.540191 0.282496 O\n0.709809 0.967504 0.355183 O\n0.709809 0.967504 0.967504 O\n0.282496 0.282496 0.894817 O\n0.540191 0.894817 0.282496 O\n0.282496 0.282496 0.540191 O\n0.894817 0.540191 0.282496 O\n0.709809 0.355183 0.967504 O\n0.967504 0.967504 0.355183 O\n0.355183 0.709809 0.967504 O\n0.967504 0.967504 0.709809 O\n",
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"density_atomic": 0.09622012619057273,
"volume": 290.99941050319813,
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"formula_full": "Ag2 Sb2 O24",
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},
{
"id": "mp-862311",
"created_at": "2022-09-04T14:48:28.822600Z",
"structure_string": "Sc2 Ga1 Ru1\n1.0\n0.000000 3.281730 3.281730\n3.281730 0.000000 3.281730\n3.281730 3.281730 0.000000\nSc Ga Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"formula_full": "Sc2 Ga1 Ru1",
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"updated_at": "2021-11-28T01:39:48.510000Z",
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},
{
"id": "mp-1207606",
"created_at": "2022-09-04T14:48:28.337716Z",
"structure_string": "Y1 Fe3 B4 O12\n1.0\n3.773917 -4.823380 0.000000\n3.773917 4.823380 0.000000\n-2.390764 0.000000 5.638413\nY Fe B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.046687 0.953313 0.500000 Fe\n0.953313 0.500000 0.046687 Fe\n0.500000 0.046687 0.953313 Fe\n0.452367 0.547633 0.000000 B\n0.547633 0.000000 0.452367 B\n0.000000 0.452367 0.547633 B\n0.000000 0.000000 0.000000 B\n0.297823 0.525283 0.130761 O\n0.525283 0.130761 0.297823 O\n0.702177 0.869239 0.474717 O\n0.130761 0.297823 0.525283 O\n0.474717 0.702177 0.869239 O\n0.869239 0.474717 0.702177 O\n0.856643 0.143357 0.000000 O\n0.143357 0.000000 0.856643 O\n0.000000 0.856643 0.143357 O\n0.594957 0.405043 0.000000 O\n0.405043 0.000000 0.594957 O\n0.000000 0.594957 0.405043 O\n",
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{
"id": "mp-1212322",
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"structure_string": "K4 Gd4 H8 C8 S4 O36\n1.0\n8.709332 0.000000 0.000000\n0.000000 6.647614 0.000000\n0.000000 5.691735 13.866771\nK Gd H C S O\n4 4 8 8 4 36\ndirect\n0.152532 0.471010 0.801142 K\n0.847468 0.528990 0.198858 K\n0.652532 0.528990 0.698858 K\n0.347468 0.471010 0.301142 K\n0.761552 0.835189 0.911537 Gd\n0.238448 0.164811 0.088463 Gd\n0.261552 0.164811 0.588463 Gd\n0.738448 0.835189 0.411537 Gd\n0.954624 0.777949 0.580345 H\n0.045376 0.222051 0.419655 H\n0.454624 0.222051 0.919655 H\n0.545376 0.777949 0.080345 H\n0.456255 0.453796 0.923763 H\n0.543745 0.546204 0.076237 H\n0.956255 0.546204 0.576237 H\n0.043745 0.453796 0.423763 H\n0.470265 0.864153 0.768693 C\n0.529735 0.135847 0.231307 C\n0.970265 0.135847 0.731307 C\n0.029735 0.864153 0.268693 C\n0.965343 0.915815 0.719751 C\n0.034657 0.084185 0.280249 C\n0.465343 0.084185 0.780249 C\n0.534657 0.915815 0.219751 C\n0.162055 0.755756 0.977874 S\n0.837945 0.244244 0.022126 S\n0.662055 0.244244 0.522126 S\n0.337945 0.755756 0.477874 S\n0.266836 0.933351 0.501469 O\n0.733164 0.066649 0.498531 O\n0.766836 0.066649 0.998531 O\n0.233164 0.933351 0.001469 O\n0.898557 0.683449 0.553700 O\n0.101443 0.316551 0.446300 O\n0.398557 0.316551 0.946300 O\n0.601443 0.683449 0.053700 O\n0.055010 0.282076 0.672603 O\n0.944990 0.717924 0.327397 O\n0.555010 0.717924 0.827397 O\n0.444990 0.282076 0.172603 O\n0.876250 0.771297 0.774509 O\n0.123750 0.228703 0.225491 O\n0.376250 0.228703 0.725491 O\n0.623750 0.771297 0.274509 O\n0.190189 0.793294 0.875929 O\n0.809811 0.206706 0.124071 O\n0.690189 0.206706 0.624071 O\n0.309811 0.793294 0.375929 O\n0.053110 0.894159 0.656074 O\n0.946890 0.105841 0.343926 O\n0.553110 0.105841 0.843926 O\n0.446890 0.894159 0.156074 O\n0.392179 0.844847 0.701164 O\n0.607821 0.155153 0.298836 O\n0.892179 0.155153 0.798836 O\n0.107821 0.844847 0.201164 O\n0.992298 0.748217 0.997432 O\n0.007702 0.251783 0.002568 O\n0.492298 0.251783 0.502568 O\n0.507702 0.748217 0.497432 O\n0.268991 0.545640 0.542874 O\n0.731009 0.454360 0.457126 O\n0.768991 0.454360 0.957126 O\n0.231009 0.545640 0.042874 O\n",
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{
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"structure_string": "Li3 N1\n1.0\n1.825345 -3.161590 0.000000\n1.825345 3.161590 0.000000\n0.000000 0.000000 3.888635\nLi N\n3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.000000 N\n",
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{
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{
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