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{
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{
"id": "mp-1182443",
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"structure_string": "Fe4 Co2 As4 H20 O28\n1.0\n9.437972 0.000000 0.000000\n0.000000 5.725971 0.000000\n0.000000 0.037707 10.741694\nFe Co As H O\n4 2 4 20 28\ndirect\n0.138410 0.645131 0.453827 Fe\n0.638410 0.854869 0.546173 Fe\n0.861590 0.354869 0.546173 Fe\n0.361590 0.145131 0.453827 Fe\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.573128 0.319934 0.715753 As\n0.073128 0.180066 0.284247 As\n0.426872 0.680066 0.284247 As\n0.926872 0.819934 0.715753 As\n0.803677 0.690177 0.064207 H\n0.303677 0.809823 0.935793 H\n0.196323 0.309823 0.935793 H\n0.696323 0.190177 0.064207 H\n0.694354 0.728955 0.901985 H\n0.194354 0.771045 0.098015 H\n0.305646 0.271045 0.098015 H\n0.805646 0.228955 0.901985 H\n0.443637 0.935274 0.885052 H\n0.943637 0.564726 0.114948 H\n0.449045 0.671838 0.749465 H\n0.949045 0.828162 0.250535 H\n0.550955 0.328162 0.250535 H\n0.050955 0.171838 0.749465 H\n0.657761 0.492362 0.412525 H\n0.157761 0.007638 0.587475 H\n0.342239 0.507638 0.587475 H\n0.842239 0.992362 0.412525 H\n0.556363 0.064726 0.114948 H\n0.056363 0.435274 0.885052 H\n0.001950 0.255708 0.147478 O\n0.998050 0.744292 0.852522 O\n0.752711 0.342915 0.704732 O\n0.498050 0.755708 0.147478 O\n0.247289 0.657085 0.295268 O\n0.747289 0.842915 0.704732 O\n0.777568 0.073044 0.470523 O\n0.277568 0.426956 0.529477 O\n0.222432 0.926956 0.529477 O\n0.722432 0.573044 0.470523 O\n0.103057 0.280191 0.883872 O\n0.603057 0.219809 0.116128 O\n0.896943 0.719809 0.116128 O\n0.396943 0.780191 0.883872 O\n0.812252 0.112264 0.968328 O\n0.312252 0.387736 0.031672 O\n0.187748 0.887736 0.031672 O\n0.687748 0.612264 0.968328 O\n0.005726 0.099984 0.670563 O\n0.505726 0.400016 0.329437 O\n0.994274 0.900016 0.329437 O\n0.494274 0.599984 0.670563 O\n0.985253 0.634246 0.596100 O\n0.485253 0.865754 0.403900 O\n0.014747 0.365754 0.403900 O\n0.514747 0.134246 0.596100 O\n0.252711 0.157085 0.295268 O\n0.501950 0.244292 0.852522 O\n",
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"formula_full": "Fe4 Co2 As4 H20 O28",
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"spacegroup": 14
},
{
"id": "mp-1180695",
"created_at": "2022-09-04T14:47:56.956218Z",
"structure_string": "Rb24 V8 O64\n1.0\n7.735932 0.000000 0.000000\n0.000000 16.406102 0.000000\n0.000000 0.000000 17.305651\nRb V O\n24 8 64\ndirect\n0.677613 0.808032 0.519634 Rb\n0.322387 0.691968 0.019634 Rb\n0.822387 0.308032 0.480366 Rb\n0.177613 0.191968 0.980366 Rb\n0.322387 0.191968 0.480366 Rb\n0.677613 0.308032 0.980366 Rb\n0.177613 0.691968 0.519634 Rb\n0.822387 0.808032 0.019634 Rb\n0.855023 0.795244 0.785521 Rb\n0.144977 0.704756 0.285521 Rb\n0.644977 0.295244 0.214479 Rb\n0.355023 0.204756 0.714479 Rb\n0.144977 0.204756 0.214479 Rb\n0.855023 0.295244 0.714479 Rb\n0.355023 0.704756 0.785521 Rb\n0.644977 0.795244 0.285521 Rb\n0.300918 0.931620 0.913044 Rb\n0.699082 0.568380 0.413044 Rb\n0.199082 0.431620 0.086956 Rb\n0.800918 0.068380 0.586956 Rb\n0.699082 0.068380 0.086956 Rb\n0.300918 0.431620 0.586956 Rb\n0.800918 0.568380 0.913044 Rb\n0.199082 0.931620 0.413044 Rb\n0.082158 0.880344 0.625074 V\n0.917842 0.619656 0.125074 V\n0.417842 0.380344 0.374926 V\n0.582158 0.119656 0.874926 V\n0.917842 0.119656 0.374926 V\n0.082158 0.380344 0.874926 V\n0.582158 0.619656 0.625074 V\n0.417842 0.880344 0.125074 V\n0.037901 0.850141 0.532804 O\n0.962099 0.649859 0.032804 O\n0.462099 0.350141 0.467196 O\n0.537901 0.149859 0.967196 O\n0.962099 0.149859 0.467196 O\n0.037901 0.350141 0.967196 O\n0.537901 0.649859 0.532804 O\n0.462099 0.850141 0.032804 O\n0.157239 0.800779 0.677849 O\n0.842761 0.699221 0.177849 O\n0.342761 0.300779 0.322151 O\n0.657239 0.199221 0.822151 O\n0.842761 0.199221 0.322151 O\n0.157239 0.300779 0.822151 O\n0.657239 0.699221 0.677849 O\n0.342761 0.800779 0.177849 O\n0.270438 0.963546 0.615556 O\n0.729562 0.536454 0.115556 O\n0.229562 0.463546 0.384444 O\n0.770438 0.036454 0.884444 O\n0.729562 0.036454 0.384444 O\n0.270438 0.463546 0.884444 O\n0.770438 0.536454 0.615556 O\n0.229562 0.963546 0.115556 O\n0.902608 0.920711 0.667026 O\n0.097392 0.579289 0.167026 O\n0.597392 0.420711 0.332974 O\n0.402608 0.079289 0.832974 O\n0.097392 0.079289 0.332974 O\n0.902608 0.420711 0.832974 O\n0.402608 0.579289 0.667026 O\n0.597392 0.920711 0.167026 O\n0.120276 0.790004 0.905797 O\n0.879724 0.709996 0.405797 O\n0.379724 0.290004 0.094203 O\n0.620276 0.209996 0.594203 O\n0.879724 0.209996 0.094203 O\n0.120276 0.290004 0.594203 O\n0.620276 0.709996 0.905797 O\n0.379724 0.790004 0.405797 O\n0.711254 0.974718 0.927553 O\n0.288746 0.525282 0.427553 O\n0.788746 0.474718 0.072447 O\n0.211254 0.025282 0.572447 O\n0.288746 0.025282 0.072447 O\n0.711254 0.474718 0.572447 O\n0.211254 0.525282 0.927553 O\n0.788746 0.974718 0.427553 O\n0.044156 0.045544 0.773641 O\n0.955844 0.454456 0.273641 O\n0.455844 0.545544 0.226359 O\n0.544156 0.954456 0.726359 O\n0.955844 0.954456 0.226359 O\n0.044156 0.545544 0.726359 O\n0.544156 0.454456 0.773641 O\n0.455844 0.045544 0.273641 O\n0.502541 0.892345 0.762732 O\n0.497459 0.607655 0.262732 O\n0.997459 0.392345 0.237268 O\n0.002541 0.107655 0.737268 O\n0.497459 0.107655 0.237268 O\n0.502541 0.392345 0.737268 O\n0.002541 0.607655 0.762732 O\n0.997459 0.892345 0.262732 O\n",
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"elements": [
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"volume": 2196.372472689129,
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"formula_full": "Rb24 V8 O64",
"formula_reduced": "Rb3VO8",
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"updated_at": "2021-11-28T01:38:17.950000Z",
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},
{
"id": "mp-510646",
"created_at": "2022-09-04T14:47:56.960314Z",
"structure_string": "Tl4 P4 Pb4 S16\n1.0\n6.664624 0.000000 0.000000\n0.000000 8.946710 0.000000\n0.000000 0.000000 12.523107\nTl P Pb S\n4 4 4 16\ndirect\n0.750000 0.629091 0.391704 Tl\n0.250000 0.370909 0.608296 Tl\n0.250000 0.129091 0.108296 Tl\n0.750000 0.870909 0.891704 Tl\n0.250000 0.873397 0.346922 P\n0.750000 0.126603 0.653078 P\n0.750000 0.373397 0.153078 P\n0.250000 0.626603 0.846922 P\n0.250000 0.895146 0.629601 Pb\n0.750000 0.104854 0.370399 Pb\n0.750000 0.395146 0.870399 Pb\n0.250000 0.604854 0.129601 Pb\n0.250000 0.694770 0.450237 S\n0.750000 0.305230 0.549763 S\n0.750000 0.194770 0.049763 S\n0.250000 0.805230 0.950237 S\n0.250000 0.071791 0.430914 S\n0.750000 0.928209 0.569086 S\n0.750000 0.571791 0.069086 S\n0.250000 0.428209 0.930914 S\n0.003992 0.863358 0.248497 S\n0.503992 0.136642 0.751503 S\n0.996008 0.363358 0.251503 S\n0.496008 0.636642 0.748497 S\n0.996008 0.136642 0.751503 S\n0.496008 0.863358 0.248497 S\n0.003992 0.636642 0.748497 S\n0.503992 0.363358 0.251503 S\n",
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"elements": [
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"P",
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"S"
],
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"density": 5.077558437544169,
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"formula_full": "Tl4 P4 Pb4 S16",
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{
"id": "mp-1174851",
"created_at": "2022-09-04T14:47:56.965591Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.901583 0.000000 0.000000\n-1.291249 4.909361 0.000000\n-1.127563 -2.280599 15.196544\nLi Mn Co O\n7 2 3 12\ndirect\n0.007249 0.256577 0.750435 Li\n0.665243 0.415507 0.916737 Li\n0.334757 0.584493 0.083263 Li\n0.992751 0.743423 0.249565 Li\n0.693104 0.922748 0.426775 Li\n0.306896 0.077252 0.573225 Li\n0.000000 0.500000 0.500000 Li\n0.661891 0.671820 0.660557 Mn\n0.338109 0.328180 0.339443 Mn\n0.320624 0.829576 0.833247 Co\n0.000000 0.000000 0.000000 Co\n0.679376 0.170424 0.166753 Co\n0.296281 0.926874 0.707311 O\n0.000885 0.105473 0.873830 O\n0.674453 0.273269 0.040441 O\n0.346365 0.436208 0.210235 O\n0.964508 0.584821 0.368633 O\n0.674018 0.793189 0.553459 O\n0.653635 0.563792 0.789765 O\n0.325547 0.726731 0.959559 O\n0.999115 0.894527 0.126170 O\n0.703719 0.073126 0.292689 O\n0.325982 0.206811 0.446541 O\n0.035492 0.415179 0.631367 O\n",
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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"spacegroup": 2
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{
"id": "mp-1022665",
"created_at": "2022-09-04T14:47:56.974552Z",
"structure_string": "Mg12 Zr2 Cu2\n1.0\n4.903000 0.000000 0.000000\n0.000000 6.086728 0.000000\n0.000000 0.000000 11.191049\nMg Zr Cu\n12 2 2\ndirect\n0.000000 0.254347 0.075004 Mg\n0.000000 0.745653 0.075004 Mg\n0.000000 0.000000 0.333217 Mg\n0.500000 0.744397 0.420716 Mg\n0.500000 0.255603 0.420716 Mg\n0.500000 0.000000 0.176251 Mg\n0.000000 0.754347 0.575004 Mg\n0.000000 0.245653 0.575004 Mg\n0.000000 0.500000 0.833217 Mg\n0.500000 0.244397 0.920716 Mg\n0.500000 0.755603 0.920716 Mg\n0.500000 0.500000 0.676251 Mg\n0.000000 0.500000 0.313651 Zr\n0.000000 0.000000 0.813651 Zr\n0.500000 0.500000 0.185441 Cu\n0.500000 0.000000 0.685441 Cu\n",
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"elements": [
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],
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"volume": 333.9770199724858,
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"spacegroup": 38
},
{
"id": "mp-1096397",
"created_at": "2022-09-04T14:47:57.175601Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-5.436170 5.525282 7.798947\n5.436170 -5.525282 7.798947\n5.436170 5.525282 -7.798947\nMg Ga Pd\n2 1 1\ndirect\n0.000000 0.272099 0.272099 Mg\n0.000000 0.727901 0.727901 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 937.0083009982111,
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"formula_full": "Mg2 Ga1 Pd1",
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{
"id": "mp-764773",
"created_at": "2022-09-04T14:47:56.978762Z",
"structure_string": "Li4 Cr3 Co2 Sb3 O16\n1.0\n3.064605 5.269564 0.000000\n-3.064605 5.269564 0.000000\n0.000000 0.067407 9.856529\nLi Cr Co Sb O\n4 3 2 3 16\ndirect\n0.670910 0.670910 0.900128 Li\n0.009852 0.009852 0.005672 Li\n0.011359 0.011359 0.490593 Li\n0.336018 0.336018 0.372889 Li\n0.830655 0.337315 0.215167 Cr\n0.337315 0.830655 0.215167 Cr\n0.167984 0.167984 0.715840 Cr\n0.653771 0.653771 0.475943 Co\n0.327084 0.327084 0.017916 Co\n0.829746 0.829746 0.215244 Sb\n0.662246 0.167810 0.715710 Sb\n0.167810 0.662246 0.715710 Sb\n0.838052 0.310854 0.606276 O\n0.517315 0.517315 0.331184 O\n0.667240 0.667240 0.105310 O\n0.998476 0.998476 0.311503 O\n0.999800 0.999800 0.819715 O\n0.310854 0.838052 0.606276 O\n0.966285 0.519326 0.334366 O\n0.519326 0.966285 0.334366 O\n0.159186 0.159186 0.106145 O\n0.844367 0.844367 0.602668 O\n0.487408 0.032056 0.828201 O\n0.032056 0.487408 0.828201 O\n0.333138 0.333138 0.603046 O\n0.685374 0.152043 0.101754 O\n0.486879 0.486879 0.830854 O\n0.152043 0.685374 0.101754 O\n",
"nsites": 28,
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],
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"volume": 318.3487793577694,
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"formula_full": "Li4 Cr3 Co2 Sb3 O16",
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"spacegroup": 8
},
{
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