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{
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"results": [
{
"id": "mp-778680",
"created_at": "2022-09-04T14:44:28.174572Z",
"structure_string": "Li5 Mn8 B8 O24\n1.0\n-5.319811 0.000000 0.000000\n-0.063165 -9.101845 0.000000\n2.319782 4.426152 10.346832\nLi Mn B O\n5 8 8 24\ndirect\n0.074399 0.915573 0.836529 Li\n0.304319 0.176118 0.326743 Li\n0.560545 0.405660 0.840298 Li\n0.648113 0.796149 0.596691 Li\n0.817943 0.667641 0.326651 Li\n0.082082 0.610409 0.870431 Mn\n0.161635 0.987039 0.621537 Mn\n0.339401 0.530639 0.373607 Mn\n0.596638 0.094652 0.876175 Mn\n0.400972 0.903130 0.112179 Mn\n0.651209 0.460238 0.615268 Mn\n0.833532 0.005452 0.365063 Mn\n0.911699 0.378317 0.122717 Mn\n0.102728 0.275178 0.878265 B\n0.153687 0.651730 0.635961 B\n0.362318 0.858878 0.374632 B\n0.602033 0.758722 0.866747 B\n0.390951 0.250927 0.128505 B\n0.654107 0.129267 0.623802 B\n0.834079 0.339373 0.362656 B\n0.906819 0.734109 0.126440 B\n0.024704 0.784785 0.641097 O\n0.055608 0.545772 0.682388 O\n0.188651 0.120964 0.830600 O\n0.220403 0.402129 0.872080 O\n0.119511 0.868372 0.405424 O\n0.360907 0.786246 0.902054 O\n0.092252 0.729232 0.053902 O\n0.372911 0.619725 0.584125 O\n0.288978 0.400568 0.166251 O\n0.282081 0.125833 0.141854 O\n0.565768 0.016394 0.664775 O\n0.566672 0.275533 0.660102 O\n0.441082 0.968646 0.328273 O\n0.690474 0.606371 0.837345 O\n0.520120 0.747034 0.394928 O\n0.742191 0.880601 0.863709 O\n0.605429 0.367880 0.407250 O\n0.879059 0.290998 0.931018 O\n0.607505 0.233848 0.075697 O\n0.844507 0.084074 0.549817 O\n0.804347 0.885192 0.178703 O\n0.830129 0.609706 0.149242 O\n0.926273 0.450581 0.317348 O\n0.970096 0.213595 0.363838 O\n",
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"B",
"O"
],
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"volume": 500.99458995446395,
"volume_molar": 6.704577646009476,
"formula_full": "Li5 Mn8 B8 O24",
"formula_reduced": "Li5Mn8(BO3)8",
"formula_anonymous": "A5B8C8D24",
"energy": -365.26315326,
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"updated_at": "2021-11-28T01:36:33.023000Z",
"spacegroup": 1
},
{
"id": "mp-558320",
"created_at": "2022-09-04T14:43:58.975239Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n4.833009 -8.371017 0.000000\n4.833009 8.371017 0.000000\n0.000000 0.000000 8.463712\nK U Si O\n6 6 4 26\ndirect\n0.958944 0.573835 0.750000 K\n0.041056 0.614890 0.250000 K\n0.426165 0.385110 0.750000 K\n0.385110 0.426165 0.250000 K\n0.614890 0.041056 0.750000 K\n0.573835 0.958944 0.250000 K\n0.756142 0.756142 0.000000 U\n0.000000 0.243858 0.000000 U\n0.243858 0.000000 0.500000 U\n0.243858 0.000000 0.000000 U\n0.756142 0.756142 0.500000 U\n0.000000 0.243858 0.500000 U\n0.333333 0.666667 0.555188 Si\n0.666667 0.333333 0.055188 Si\n0.333333 0.666667 0.944812 Si\n0.666667 0.333333 0.444812 Si\n0.001201 0.253971 0.250000 O\n0.323456 0.821142 0.007962 O\n0.323456 0.821142 0.492038 O\n0.000000 0.808908 0.000000 O\n0.252770 0.998799 0.250000 O\n0.808908 0.000000 0.500000 O\n0.502314 0.178858 0.507962 O\n0.000000 0.808908 0.500000 O\n0.676544 0.497686 0.992038 O\n0.821142 0.323456 0.992038 O\n0.497686 0.676544 0.007962 O\n0.808908 0.000000 0.000000 O\n0.497686 0.676544 0.492038 O\n0.178858 0.502314 0.007962 O\n0.746029 0.747230 0.250000 O\n0.191092 0.191092 0.000000 O\n0.821142 0.323456 0.507962 O\n0.253971 0.001201 0.750000 O\n0.998799 0.252770 0.750000 O\n0.676544 0.497686 0.507962 O\n0.502314 0.178858 0.992038 O\n0.747230 0.746029 0.750000 O\n0.191092 0.191092 0.500000 O\n0.178858 0.502314 0.492038 O\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 42,
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"elements": [
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"U",
"Si",
"O"
],
"chemical_system": "K-O-Si-U",
"density": 5.312788736068446,
"density_atomic": 0.06132853493214586,
"volume": 684.8361867191019,
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"formula_full": "K6 U6 Si4 O26",
"formula_reduced": "K3U3Si2O13",
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"updated_at": "2021-11-28T01:36:06.753000Z",
"spacegroup": 190
},
{
"id": "mp-565593",
"created_at": "2022-09-04T14:44:50.915487Z",
"structure_string": "Na12 Nb4 As8 O36\n1.0\n9.532685 0.000000 0.000000\n0.000000 10.489932 0.000000\n0.000000 6.421034 10.662185\nNa Nb As O\n12 4 8 36\ndirect\n0.936374 0.200263 0.148107 Na\n0.278234 0.471109 0.854976 Na\n0.221766 0.471109 0.354976 Na\n0.721766 0.528891 0.145024 Na\n0.436374 0.799737 0.351893 Na\n0.778234 0.528891 0.645024 Na\n0.133180 0.135975 0.847768 Na\n0.866820 0.864025 0.152232 Na\n0.633180 0.864025 0.652232 Na\n0.063626 0.799737 0.851893 Na\n0.563626 0.200263 0.648107 Na\n0.366820 0.135975 0.347768 Na\n0.393510 0.732456 0.969147 Nb\n0.893510 0.267544 0.530853 Nb\n0.606490 0.267544 0.030853 Nb\n0.106490 0.732456 0.469147 Nb\n0.828997 0.882043 0.388860 As\n0.282426 0.827958 0.610777 As\n0.171003 0.117957 0.611140 As\n0.217574 0.827958 0.110777 As\n0.671003 0.882043 0.888860 As\n0.717574 0.172042 0.389223 As\n0.782426 0.172042 0.889223 As\n0.328997 0.117957 0.111140 As\n0.425079 0.303395 0.414351 O\n0.519775 0.554019 0.016523 O\n0.599212 0.769199 0.040075 O\n0.925079 0.696605 0.085649 O\n0.074921 0.303395 0.914351 O\n0.415161 0.163779 0.519999 O\n0.400788 0.230801 0.959925 O\n0.574921 0.696605 0.585649 O\n0.252271 0.905677 0.944628 O\n0.084839 0.163779 0.019999 O\n0.180223 0.664177 0.648064 O\n0.480225 0.445981 0.983477 O\n0.584839 0.836221 0.480001 O\n0.270412 0.661284 0.901123 O\n0.355927 0.926429 0.144227 O\n0.247729 0.905677 0.444628 O\n0.915161 0.836221 0.980001 O\n0.729588 0.338716 0.098877 O\n0.819777 0.335823 0.351936 O\n0.644073 0.073571 0.855773 O\n0.747729 0.094323 0.055372 O\n0.900788 0.769199 0.540075 O\n0.099212 0.230801 0.459925 O\n0.319777 0.664177 0.148064 O\n0.680223 0.335823 0.851936 O\n0.497781 0.117652 0.187163 O\n0.502219 0.882348 0.812837 O\n0.980225 0.554019 0.516523 O\n0.752271 0.094323 0.555372 O\n0.229588 0.661284 0.401123 O\n0.002219 0.117652 0.687163 O\n0.144073 0.926429 0.644227 O\n0.855927 0.073571 0.355773 O\n0.997781 0.882348 0.312837 O\n0.770412 0.338716 0.598877 O\n0.019775 0.445981 0.483477 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Na",
"Nb",
"As",
"O"
],
"chemical_system": "As-Na-Nb-O",
"density": 2.839009478389891,
"density_atomic": 0.056275209621672824,
"volume": 1066.188831696376,
"volume_molar": 10.70123203535921,
"formula_full": "Na12 Nb4 As8 O36",
"formula_reduced": "Na3NbAs2O9",
"formula_anonymous": "AB2C3D9",
"energy": -365.22196002,
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"updated_at": "2021-11-28T01:36:43.681000Z",
"spacegroup": 14
},
{
"id": "mp-776580",
"created_at": "2022-09-04T14:46:36.214544Z",
"structure_string": "Li5 Mn8 B8 O24\n1.0\n-5.276279 0.000000 0.000000\n-0.205541 -9.127637 0.000000\n2.484565 4.353787 10.272985\nLi Mn B O\n5 8 8 24\ndirect\n0.711551 0.747623 0.326818 Li\n0.461238 0.454761 0.070341 Li\n0.240345 0.261308 0.349202 Li\n0.225805 0.231737 0.611211 Li\n0.023125 0.991702 0.842520 Li\n0.970666 0.663088 0.115262 Mn\n0.976858 0.347348 0.869218 Mn\n0.744248 0.437841 0.372270 Mn\n0.745367 0.037381 0.614349 Mn\n0.479152 0.136942 0.121458 Mn\n0.531451 0.832656 0.866511 Mn\n0.259827 0.938229 0.372026 Mn\n0.222109 0.576993 0.619161 Mn\n0.969318 0.325829 0.126171 B\n0.775516 0.107602 0.380555 B\n0.735560 0.388340 0.625864 B\n0.454859 0.803216 0.114874 B\n0.513705 0.178816 0.874786 B\n0.249020 0.615061 0.373005 B\n0.261413 0.895621 0.637076 B\n0.031758 0.683776 0.862835 B\n0.017742 0.895452 0.655648 O\n0.723979 0.345139 0.154624 O\n0.867614 0.475575 0.578525 O\n0.889701 0.286861 0.678809 O\n0.588089 0.677903 0.128299 O\n0.539251 0.891800 0.051894 O\n0.956140 0.577907 0.910495 O\n0.908309 0.818581 0.874590 O\n0.673152 0.986827 0.408372 O\n0.605141 0.199137 0.330751 O\n0.762046 0.155534 0.843418 O\n0.501882 0.614535 0.366584 O\n0.475387 0.389799 0.614731 O\n0.239871 0.850999 0.166667 O\n0.434911 0.786722 0.671070 O\n0.349645 0.994523 0.585509 O\n0.142135 0.234846 0.166465 O\n0.046246 0.416300 0.059345 O\n0.412374 0.062407 0.907244 O\n0.379178 0.307720 0.876191 O\n0.150279 0.518781 0.427991 O\n0.075091 0.707690 0.326157 O\n0.252562 0.651884 0.808509 O\n0.040934 0.136374 0.406316 O\n",
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"density": 3.170679997585324,
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"formula_full": "Li5 Mn8 B8 O24",
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"updated_at": "2021-11-28T01:37:41.940000Z",
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{
"id": "mp-29776",
"created_at": "2022-09-04T14:39:05.332300Z",
"structure_string": "Ce8 Ge18 Rh26\n1.0\n3.981853 0.000000 0.000000\n0.000000 11.382743 0.000000\n0.000000 0.000000 19.675991\nCe Ge Rh\n8 18 26\ndirect\n0.250000 0.560252 0.708017 Ce\n0.750000 0.439748 0.291983 Ce\n0.750000 0.060252 0.291983 Ce\n0.250000 0.939748 0.708017 Ce\n0.250000 0.750000 0.521283 Ce\n0.750000 0.250000 0.478717 Ce\n0.250000 0.250000 0.020205 Ce\n0.750000 0.750000 0.979795 Ce\n0.250000 0.250000 0.601872 Ge\n0.750000 0.750000 0.398128 Ge\n0.250000 0.061290 0.419157 Ge\n0.750000 0.938710 0.580843 Ge\n0.750000 0.561290 0.580843 Ge\n0.250000 0.438710 0.419157 Ge\n0.250000 0.566589 0.915206 Ge\n0.750000 0.433411 0.084794 Ge\n0.750000 0.066589 0.084794 Ge\n0.250000 0.933411 0.915206 Ge\n0.250000 0.623766 0.229795 Ge\n0.750000 0.376234 0.770205 Ge\n0.750000 0.123766 0.770205 Ge\n0.250000 0.876234 0.229795 Ge\n0.250000 0.750000 0.102672 Ge\n0.750000 0.250000 0.897328 Ge\n0.250000 0.250000 0.230838 Ge\n0.750000 0.750000 0.769162 Ge\n0.250000 0.449535 0.546185 Rh\n0.750000 0.550465 0.453815 Rh\n0.750000 0.949535 0.453815 Rh\n0.250000 0.050465 0.546185 Rh\n0.250000 0.435202 0.164754 Rh\n0.750000 0.564798 0.835246 Rh\n0.750000 0.935202 0.835246 Rh\n0.250000 0.064798 0.164754 Rh\n0.250000 0.376726 0.854556 Rh\n0.750000 0.623274 0.145444 Rh\n0.750000 0.876726 0.145444 Rh\n0.250000 0.123274 0.854556 Rh\n0.250000 0.558655 0.040688 Rh\n0.750000 0.441345 0.959312 Rh\n0.750000 0.058655 0.959312 Rh\n0.250000 0.941345 0.040688 Rh\n0.250000 0.626802 0.356865 Rh\n0.750000 0.373198 0.643135 Rh\n0.750000 0.126802 0.643135 Rh\n0.250000 0.873198 0.356865 Rh\n0.250000 0.750000 0.844024 Rh\n0.750000 0.250000 0.155976 Rh\n0.250000 0.250000 0.357011 Rh\n0.750000 0.750000 0.642989 Rh\n0.250000 0.250000 0.727410 Rh\n0.750000 0.750000 0.272590 Rh\n",
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"elements": [
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"Ge",
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"formula_full": "Ce8 Ge18 Rh26",
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},
{
"id": "mp-1179195",
"created_at": "2022-09-04T14:40:37.787061Z",
"structure_string": "Si20 O30\n1.0\n4.534758 10.037550 0.000000\n-4.534758 10.037550 0.000000\n0.000000 9.358833 10.924539\nSi O\n20 30\ndirect\n0.280001 0.731550 0.633949 Si\n0.268450 0.719999 0.866051 Si\n0.719999 0.268450 0.366051 Si\n0.731550 0.280001 0.133949 Si\n0.902064 0.766340 0.781136 Si\n0.233660 0.097936 0.718864 Si\n0.097936 0.233660 0.218864 Si\n0.766340 0.902064 0.281136 Si\n0.630529 0.165361 0.728257 Si\n0.834639 0.369471 0.771743 Si\n0.369471 0.834639 0.271743 Si\n0.165361 0.630529 0.228257 Si\n0.626254 0.153669 0.956087 Si\n0.846331 0.373746 0.543913 Si\n0.373746 0.846331 0.043913 Si\n0.153669 0.626254 0.456087 Si\n0.893972 0.750066 0.013399 Si\n0.249934 0.106028 0.486601 Si\n0.106028 0.249934 0.986601 Si\n0.750066 0.893972 0.513399 Si\n0.088380 0.758290 0.680896 O\n0.241710 0.911620 0.819104 O\n0.911620 0.241710 0.319104 O\n0.758290 0.088380 0.180896 O\n0.750299 0.961490 0.737158 O\n0.038510 0.249701 0.762842 O\n0.249701 0.038510 0.262842 O\n0.961490 0.750299 0.237158 O\n0.745666 0.263339 0.615193 O\n0.736661 0.254334 0.884807 O\n0.254334 0.736661 0.384807 O\n0.263339 0.745666 0.115193 O\n0.752384 0.947776 0.015007 O\n0.052224 0.247616 0.484993 O\n0.247616 0.052224 0.984993 O\n0.947776 0.752384 0.515007 O\n0.280058 0.914673 0.530123 O\n0.085327 0.719942 0.969877 O\n0.719942 0.085327 0.469877 O\n0.914673 0.280058 0.030123 O\n0.318370 0.681630 0.750000 O\n0.681630 0.318370 0.250000 O\n0.887305 0.717010 0.919006 O\n0.282990 0.112695 0.580994 O\n0.112695 0.282990 0.080994 O\n0.717010 0.887305 0.419006 O\n0.572352 0.179439 0.858011 O\n0.820561 0.427648 0.641989 O\n0.427648 0.820561 0.141989 O\n0.179439 0.572352 0.358011 O\n",
"nsites": 50,
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"formula_full": "Si20 O30",
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"updated_at": "2021-11-28T01:35:06.034000Z",
"spacegroup": 15
},
{
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