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{
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{
"id": "mp-1210414",
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"structure_string": "Na4 Te2 H12 S2 O20\n1.0\n5.208851 2.759797 0.000000\n-5.208851 2.759797 0.000000\n0.000000 1.325530 15.388637\nNa Te H S O\n4 2 12 2 20\ndirect\n0.876571 0.382363 0.573733 Na\n0.382363 0.876571 0.073733 Na\n0.170525 0.329084 0.382159 Na\n0.329084 0.170525 0.882159 Na\n0.774647 0.803687 0.693969 Te\n0.803687 0.774647 0.193969 Te\n0.382593 0.859869 0.690241 H\n0.859869 0.382593 0.190241 H\n0.335863 0.355380 0.706385 H\n0.355380 0.335863 0.206385 H\n0.160517 0.097888 0.578964 H\n0.097888 0.160517 0.078964 H\n0.551921 0.671378 0.553332 H\n0.671378 0.551921 0.053332 H\n0.846065 0.086371 0.819852 H\n0.086371 0.846065 0.319852 H\n0.946458 0.545824 0.762655 H\n0.545824 0.946458 0.262655 H\n0.942533 0.423161 0.946562 S\n0.423161 0.942533 0.446562 S\n0.075782 0.282063 0.972997 O\n0.282063 0.075782 0.472997 O\n0.449052 0.474706 0.752842 O\n0.474706 0.449052 0.252842 O\n0.999243 0.653816 0.704500 O\n0.653816 0.999243 0.204500 O\n0.133302 0.723936 0.948412 O\n0.723936 0.133302 0.448412 O\n0.585625 0.988598 0.679182 O\n0.988598 0.585625 0.179182 O\n0.094689 0.140992 0.632769 O\n0.140992 0.094689 0.132769 O\n0.898732 0.956467 0.803861 O\n0.956466 0.898732 0.303861 O\n0.678935 0.635377 0.584190 O\n0.635377 0.678935 0.084190 O\n0.689312 0.320209 0.005873 O\n0.320209 0.689312 0.505873 O\n0.844284 0.347185 0.856354 O\n0.347185 0.844284 0.356354 O\n",
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"formula_full": "Na4 Te2 H12 S2 O20",
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{
"id": "mp-770288",
"created_at": "2022-09-04T14:42:27.984628Z",
"structure_string": "Li12 B8 Sb4 O24\n1.0\n9.053349 0.000000 0.000000\n0.000000 5.352838 0.000000\n0.000000 5.110681 10.664473\nLi B Sb O\n12 8 4 24\ndirect\n0.974124 0.518159 0.324948 Li\n0.653181 0.443852 0.383716 Li\n0.986276 0.924291 0.905421 Li\n0.153181 0.556148 0.116284 Li\n0.486276 0.075709 0.594579 Li\n0.474124 0.481841 0.175052 Li\n0.525876 0.518159 0.824948 Li\n0.513724 0.924291 0.405421 Li\n0.846819 0.443852 0.883716 Li\n0.013724 0.075709 0.094579 Li\n0.346819 0.556148 0.616284 Li\n0.025876 0.481841 0.675052 Li\n0.328581 0.459761 0.379207 B\n0.672050 0.968747 0.867011 B\n0.828581 0.540239 0.120793 B\n0.172050 0.031253 0.632989 B\n0.827950 0.968747 0.367011 B\n0.171419 0.459761 0.879207 B\n0.327950 0.031253 0.132989 B\n0.671419 0.540239 0.620793 B\n0.326941 0.974404 0.874083 Sb\n0.826941 0.025596 0.625917 Sb\n0.173059 0.974404 0.374083 Sb\n0.673059 0.025596 0.125917 Sb\n0.331789 0.812117 0.100042 O\n0.641658 0.331644 0.582403 O\n0.942137 0.712291 0.122472 O\n0.044332 0.168291 0.639848 O\n0.304144 0.125943 0.663719 O\n0.684067 0.566001 0.156017 O\n0.184067 0.433999 0.343983 O\n0.804144 0.874057 0.836281 O\n0.544332 0.831709 0.860152 O\n0.442137 0.287709 0.377528 O\n0.831789 0.187883 0.399958 O\n0.141658 0.668356 0.917597 O\n0.858342 0.331644 0.082403 O\n0.168211 0.812117 0.600042 O\n0.557863 0.712291 0.622472 O\n0.455668 0.168291 0.139848 O\n0.195856 0.125943 0.163719 O\n0.815933 0.566001 0.656017 O\n0.315933 0.433999 0.843983 O\n0.695856 0.874057 0.336281 O\n0.955668 0.831709 0.360152 O\n0.057863 0.287709 0.877528 O\n0.358342 0.668356 0.417597 O\n0.668211 0.187883 0.899958 O\n",
"nsites": 48,
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"formula_full": "Li12 B8 Sb4 O24",
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{
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"created_at": "2022-09-04T14:42:21.133759Z",
"structure_string": "Ca2 H32 O20\n1.0\n6.247350 0.000000 0.000000\n0.422729 6.487845 0.000000\n0.148171 0.330655 10.864573\nCa H O\n2 32 20\ndirect\n0.981924 0.979318 0.761081 Ca\n0.029870 0.999635 0.232782 Ca\n0.286237 0.230394 0.653378 H\n0.424582 0.023070 0.627635 H\n0.614734 0.751581 0.661219 H\n0.681652 0.868353 0.535502 H\n0.025267 0.535492 0.636868 H\n0.146665 0.690847 0.549537 H\n0.729277 0.365793 0.656455 H\n0.862440 0.291521 0.537609 H\n0.383449 0.719993 0.138647 H\n0.310653 0.874807 0.022893 H\n0.644352 0.280640 0.157582 H\n0.705614 0.123519 0.049935 H\n0.294239 0.383464 0.143693 H\n0.049011 0.452471 0.126517 H\n0.733760 0.624461 0.151435 H\n0.893928 0.695605 0.043573 H\n0.619493 0.719538 0.357360 H\n0.578282 0.960932 0.352225 H\n0.376053 0.287535 0.349466 H\n0.284784 0.138073 0.454570 H\n0.714413 0.378924 0.357252 H\n0.976657 0.352541 0.344147 H\n0.033594 0.642240 0.372984 H\n0.294154 0.631623 0.359609 H\n0.548284 0.038239 0.884153 H\n0.634243 0.270602 0.876610 H\n0.266482 0.150005 0.856925 H\n0.406879 0.774449 0.865040 H\n0.025991 0.574287 0.864048 H\n0.762389 0.605249 0.866733 H\n0.154934 0.303822 0.945232 H\n0.364326 0.554023 0.710862 H\n0.279874 0.098011 0.613515 O\n0.662447 0.886191 0.627028 O\n0.121820 0.652338 0.638035 O\n0.872382 0.308708 0.628769 O\n0.302317 0.853774 0.116237 O\n0.725098 0.145125 0.138914 O\n0.152226 0.329125 0.120802 O\n0.880498 0.679087 0.135065 O\n0.685669 0.852198 0.379764 O\n0.302696 0.154508 0.363940 O\n0.852659 0.290784 0.382355 O\n0.158666 0.720276 0.388555 O\n0.682941 0.118441 0.887552 O\n0.324770 0.907297 0.875174 O\n0.909578 0.677404 0.882067 O\n0.161248 0.274473 0.856209 O\n0.522790 0.523703 0.719077 O\n0.514221 0.500721 0.188233 O\n0.503585 0.504999 0.325861 O\n0.561856 0.517164 0.853458 O\n",
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"elements": [
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"density": 1.6305115850847476,
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"volume": 440.36111778102605,
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"formula_full": "Ca2 H32 O20",
"formula_reduced": "Ca(H8O5)2",
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"energy": -284.72573935,
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"updated_at": "2021-11-28T01:35:50.511000Z",
"spacegroup": 1
},
{
"id": "mp-1190931",
"created_at": "2022-09-04T14:42:22.262522Z",
"structure_string": "Na2 Fe2 Mo4 O16\n1.0\n0.000220 -5.393481 -0.000271\n-5.010679 2.696945 0.018612\n-0.047801 -0.000707 -14.002243\nNa Fe Mo O\n2 2 4 16\ndirect\n0.926926 0.999939 0.249986 Na\n0.072980 0.000079 0.750019 Na\n0.000029 0.999927 0.999861 Fe\n0.000070 0.000021 0.500144 Fe\n0.707360 0.348221 0.617783 Mo\n0.359274 0.651902 0.882239 Mo\n0.292711 0.651885 0.382378 Mo\n0.640724 0.347983 0.117595 Mo\n0.589214 0.800504 0.461349 O\n0.788660 0.199415 0.038618 O\n0.411016 0.199670 0.538740 O\n0.211416 0.800412 0.961287 O\n0.059921 0.305921 0.415455 O\n0.753838 0.693943 0.084526 O\n0.940237 0.694236 0.584779 O\n0.246160 0.305906 0.915249 O\n0.102115 0.845757 0.384716 O\n0.256217 0.154102 0.115301 O\n0.897904 0.154298 0.615504 O\n0.743778 0.845858 0.884483 O\n0.427978 0.666736 0.267664 O\n0.761182 0.333166 0.232292 O\n0.571737 0.333324 0.732419 O\n0.238553 0.666796 0.767614 O\n",
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{
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"structure_string": "Ca1 Al1 Si1 H1\n1.0\n2.071640 -3.588186 0.000000\n2.071640 3.588186 0.000000\n0.000000 0.000000 4.698226\nCa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000079 Ca\n0.666667 0.333333 0.542888 Al\n0.333333 0.666667 0.434108 Si\n0.666667 0.333333 0.916225 H\n",
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{
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"created_at": "2022-09-04T14:42:28.969279Z",
"structure_string": "Cs1 Na1 Mg6 O7\n1.0\n8.170242 -0.000000 0.000000\n0.000000 4.740279 0.000000\n0.000000 0.000000 4.740279\nCs Na Mg O\n1 1 6 7\ndirect\n0.417638 -0.000000 0.000000 Cs\n0.996551 -0.000000 -0.000000 Na\n0.004770 0.500000 0.500000 Mg\n0.516083 0.500000 0.500000 Mg\n0.250635 -0.000000 0.500000 Mg\n0.755560 0.000000 0.500000 Mg\n0.250635 0.500000 0.000000 Mg\n0.755560 0.500000 -0.000000 Mg\n0.738514 -0.000000 0.000000 O\n0.260859 0.500000 0.500000 O\n0.760064 0.500000 0.500000 O\n0.016885 -0.000000 0.500000 O\n0.504681 0.000000 0.500000 O\n0.016885 0.500000 -0.000000 O\n0.504681 0.500000 -0.000000 O\n",
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{
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"structure_string": "As8 Pt4\n1.0\n6.064127 0.000000 0.000000\n0.000000 6.064127 0.000000\n0.000000 0.000000 6.064127\nAs Pt\n8 4\ndirect\n0.383323 0.383323 0.383323 As\n0.116677 0.616677 0.883323 As\n0.883323 0.116677 0.616677 As\n0.616677 0.883323 0.116677 As\n0.616677 0.616677 0.616677 As\n0.883323 0.383323 0.116677 As\n0.116677 0.883323 0.383323 As\n0.383323 0.116677 0.883323 As\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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{
"id": "mp-684742",
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"structure_string": "Sr4 La4 Ta4 Mn4 O24\n1.0\n-5.709581 5.865939 0.012336\n-5.709620 -5.865977 0.012348\n-5.677022 -0.000027 8.139720\nSr La Ta Mn O\n4 4 4 4 24\ndirect\n0.391371 0.352887 0.248595 Sr\n0.891366 0.852882 0.248597 Sr\n0.102880 0.641366 0.748591 Sr\n0.602880 0.141370 0.748599 Sr\n0.410040 0.855821 0.245377 La\n0.910041 0.355819 0.245377 La\n0.105820 0.160033 0.745382 La\n0.605815 0.660035 0.745384 La\n0.748377 0.252902 0.999549 Ta\n0.248384 0.752913 0.999543 Ta\n0.002913 0.998383 0.499544 Ta\n0.502910 0.498382 0.499546 Ta\n0.997972 0.504568 0.498750 Mn\n0.254566 0.247984 0.998745 Mn\n0.497964 0.004568 0.498754 Mn\n0.754579 0.747974 0.998745 Mn\n0.347617 0.816025 0.761475 O\n0.847619 0.316025 0.761479 O\n0.566033 0.597619 0.261478 O\n0.066024 0.097616 0.261480 O\n0.761774 0.991003 0.047377 O\n0.261774 0.490998 0.047381 O\n0.241002 0.511775 0.547375 O\n0.740996 0.011770 0.547386 O\n0.559672 0.756296 0.462722 O\n0.059674 0.256293 0.462722 O\n0.006294 0.309672 0.962723 O\n0.506297 0.809670 0.962719 O\n0.487318 0.175195 0.048301 O\n0.987323 0.675192 0.048298 O\n0.925191 0.737320 0.548306 O\n0.425188 0.237321 0.548306 O\n0.260975 0.968713 0.449555 O\n0.760973 0.468712 0.449556 O\n0.718711 0.510972 0.949560 O\n0.218715 0.010978 0.949554 O\n0.945039 0.916436 0.738292 O\n0.445041 0.416438 0.738288 O\n0.166433 0.695039 0.238291 O\n0.666438 0.195035 0.238293 O\n",
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{
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