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{
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"results": [
{
"id": "mp-1222841",
"created_at": "2022-09-04T14:46:10.745377Z",
"structure_string": "La3 Si3 B3 O15\n1.0\n3.461923 -5.996226 0.000000\n3.461923 5.996226 0.000000\n0.000000 0.000000 6.800142\nLa Si B O\n3 3 3 15\ndirect\n0.740650 0.074270 0.167948 La\n0.333620 0.259350 0.834614 La\n0.925730 0.666380 0.501281 La\n0.749061 0.082350 0.667441 Si\n0.333289 0.250939 0.334107 Si\n0.917650 0.666711 0.000774 Si\n0.343668 0.779533 0.854443 B\n0.435866 0.656332 0.521109 B\n0.220467 0.564134 0.187776 B\n0.726659 0.526784 0.839825 O\n0.800124 0.273341 0.506492 O\n0.473216 0.199876 0.173159 O\n0.936925 0.128146 0.831587 O\n0.191222 0.063075 0.498254 O\n0.871854 0.808778 0.164921 O\n0.141933 0.811027 0.856821 O\n0.669094 0.858067 0.523488 O\n0.188973 0.330906 0.190155 O\n0.525699 0.012882 0.809249 O\n0.487183 0.474301 0.475916 O\n0.987118 0.512817 0.142582 O\n0.326930 0.615264 0.711322 O\n0.288334 0.673070 0.377989 O\n0.384736 0.711666 0.044655 O\n",
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},
{
"id": "mp-1199681",
"created_at": "2022-09-04T14:46:10.762865Z",
"structure_string": "Al4 Sn4 P4 H72 C24 Cl16\n1.0\n9.193129 0.000000 0.000000\n0.000000 11.357101 0.000000\n0.000000 0.000000 18.888509\nAl Sn P H C Cl\n4 4 4 72 24 16\ndirect\n0.189370 0.750000 0.624629 Al\n0.310630 0.750000 0.124629 Al\n0.810630 0.250000 0.375371 Al\n0.689370 0.250000 0.875371 Al\n0.679316 0.750000 0.802575 Sn\n0.820684 0.750000 0.302575 Sn\n0.320684 0.250000 0.197425 Sn\n0.179316 0.250000 0.697425 Sn\n0.859166 0.750000 0.912439 P\n0.640834 0.750000 0.412438 P\n0.140834 0.250000 0.087561 P\n0.359166 0.250000 0.587561 P\n0.046420 0.628625 0.964481 H\n0.453580 0.871375 0.464481 H\n0.953580 0.128625 0.035519 H\n0.546420 0.371375 0.535519 H\n0.953580 0.371375 0.035519 H\n0.546420 0.128625 0.535519 H\n0.046420 0.871375 0.964481 H\n0.453580 0.628625 0.464481 H\n0.049660 0.622551 0.869805 H\n0.450340 0.877449 0.369805 H\n0.950340 0.122551 0.130195 H\n0.549660 0.377449 0.630195 H\n0.950340 0.377449 0.130195 H\n0.549660 0.122551 0.630195 H\n0.049660 0.877449 0.869805 H\n0.450340 0.622551 0.369805 H\n0.914473 0.541660 0.917844 H\n0.585527 0.958340 0.417844 H\n0.085527 0.041660 0.082156 H\n0.414473 0.458340 0.582156 H\n0.085527 0.458340 0.082156 H\n0.414473 0.041660 0.582156 H\n0.914473 0.958340 0.917844 H\n0.585527 0.541660 0.417844 H\n0.834989 0.750000 0.039449 H\n0.665011 0.750000 0.539449 H\n0.165011 0.250000 0.960551 H\n0.334989 0.250000 0.460551 H\n0.689169 0.671315 0.997385 H\n0.810831 0.828685 0.497385 H\n0.310831 0.171315 0.002615 H\n0.189169 0.328685 0.502615 H\n0.310831 0.328685 0.002615 H\n0.189169 0.171315 0.502615 H\n0.689169 0.828685 0.997385 H\n0.810831 0.671315 0.497385 H\n0.627078 0.538100 0.741199 H\n0.872922 0.961900 0.241199 H\n0.372922 0.038100 0.258801 H\n0.127078 0.461900 0.758801 H\n0.372922 0.461900 0.258801 H\n0.127078 0.038100 0.758801 H\n0.627078 0.961900 0.741199 H\n0.872922 0.538100 0.241199 H\n0.808389 0.538126 0.774951 H\n0.691611 0.961874 0.274951 H\n0.191611 0.038126 0.225049 H\n0.308389 0.461874 0.725049 H\n0.191611 0.461874 0.225049 H\n0.308389 0.038126 0.725049 H\n0.808389 0.961874 0.774951 H\n0.691611 0.538126 0.274951 H\n0.769560 0.612987 0.693906 H\n0.730440 0.887013 0.193906 H\n0.230440 0.112987 0.306094 H\n0.269560 0.387013 0.806094 H\n0.230440 0.387013 0.306094 H\n0.269560 0.112987 0.806094 H\n0.769560 0.887013 0.693906 H\n0.730440 0.612987 0.193906 H\n0.386991 0.750000 0.812737 H\n0.113009 0.750000 0.312737 H\n0.613009 0.250000 0.187263 H\n0.886991 0.250000 0.687263 H\n0.460125 0.829215 0.886725 H\n0.039875 0.670785 0.386725 H\n0.539875 0.329215 0.113275 H\n0.960125 0.170785 0.613275 H\n0.539875 0.170785 0.113275 H\n0.960125 0.329215 0.613275 H\n0.460125 0.670785 0.886725 H\n0.039875 0.829215 0.386725 H\n0.978833 0.623029 0.916469 C\n0.521167 0.876971 0.416469 C\n0.021167 0.123029 0.083531 C\n0.478833 0.376971 0.583531 C\n0.021167 0.376971 0.083531 C\n0.478833 0.123029 0.583531 C\n0.978833 0.876971 0.916469 C\n0.521167 0.623029 0.416469 C\n0.758042 0.750000 0.994663 C\n0.741958 0.750000 0.494663 C\n0.241958 0.250000 0.005337 C\n0.258042 0.250000 0.505337 C\n0.727031 0.589829 0.746227 C\n0.772969 0.910171 0.246227 C\n0.272969 0.089829 0.253773 C\n0.227031 0.410171 0.753773 C\n0.272969 0.410171 0.253773 C\n0.227031 0.089829 0.753773 C\n0.727031 0.910171 0.746227 C\n0.772969 0.589829 0.246227 C\n0.470842 0.750000 0.854003 C\n0.029158 0.750000 0.354003 C\n0.529158 0.250000 0.145997 C\n0.970842 0.250000 0.645997 C\n0.088861 0.750000 0.728272 Cl\n0.411139 0.750000 0.228272 Cl\n0.911139 0.250000 0.271728 Cl\n0.588861 0.250000 0.771728 Cl\n0.424530 0.750000 0.637549 Cl\n0.075470 0.750000 0.137549 Cl\n0.575470 0.250000 0.362451 Cl\n0.924530 0.250000 0.862451 Cl\n0.126468 0.593591 0.567100 Cl\n0.373532 0.906409 0.067100 Cl\n0.873532 0.093591 0.432900 Cl\n0.626468 0.406409 0.932900 Cl\n0.873532 0.406409 0.432900 Cl\n0.626468 0.093591 0.932900 Cl\n0.126468 0.906409 0.567100 Cl\n0.373532 0.593591 0.067100 Cl\n",
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"nelements": 6,
"elements": [
"Al",
"Sn",
"P",
"H",
"C",
"Cl"
],
"chemical_system": "Al-C-Cl-H-P-Sn",
"density": 1.3764760250449282,
"density_atomic": 0.06287719589474466,
"volume": 1972.0981229438705,
"volume_molar": 9.577622974919175,
"formula_full": "Al4 Sn4 P4 H72 C24 Cl16",
"formula_reduced": "AlSnPH18(C3Cl2)2",
"formula_anonymous": "ABCD4E6F18",
"energy": -607.75992358,
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"updated_at": "2021-11-28T01:37:19.474000Z",
"spacegroup": 62
},
{
"id": "mp-1197750",
"created_at": "2022-09-04T14:46:10.763995Z",
"structure_string": "H48 Os4 S4 N16 O28\n1.0\n6.152032 0.000000 0.000000\n0.000000 12.001742 0.000000\n0.000000 2.163516 13.221736\nH Os S N O\n48 4 4 16 28\ndirect\n0.532069 0.280992 0.496994 H\n0.032069 0.219008 0.503006 H\n0.467931 0.719008 0.503006 H\n0.967931 0.780992 0.496994 H\n0.376799 0.335461 0.397510 H\n0.876799 0.164539 0.602490 H\n0.623201 0.664539 0.602490 H\n0.123201 0.835461 0.397510 H\n0.644868 0.345712 0.389414 H\n0.144868 0.154288 0.610586 H\n0.355132 0.654288 0.610586 H\n0.855132 0.845712 0.389414 H\n0.275445 0.363681 0.642754 H\n0.775445 0.136319 0.357246 H\n0.724555 0.636319 0.357246 H\n0.224555 0.863681 0.642754 H\n0.141031 0.486617 0.621354 H\n0.641031 0.013383 0.378646 H\n0.858969 0.513383 0.378646 H\n0.358969 0.986617 0.621354 H\n0.119065 0.398565 0.538889 H\n0.619065 0.101435 0.461111 H\n0.880935 0.601435 0.461111 H\n0.380935 0.898565 0.538889 H\n0.634537 0.285578 0.073933 H\n0.134537 0.214422 0.926067 H\n0.365463 0.714422 0.926067 H\n0.865463 0.785578 0.073933 H\n0.804707 0.344886 0.983283 H\n0.304707 0.155114 0.016717 H\n0.195293 0.655114 0.016717 H\n0.695293 0.844886 0.983283 H\n0.820877 0.375432 0.100597 H\n0.320877 0.124568 0.899403 H\n0.179123 0.624568 0.899403 H\n0.679123 0.875432 0.100597 H\n0.386900 0.432298 0.826860 H\n0.886900 0.067702 0.173140 H\n0.613100 0.567702 0.173140 H\n0.113100 0.932298 0.826860 H\n0.547944 0.547114 0.800584 H\n0.047944 0.952886 0.199416 H\n0.452056 0.452886 0.199416 H\n0.952056 0.047114 0.800584 H\n0.660488 0.423456 0.836450 H\n0.160488 0.076544 0.163550 H\n0.339512 0.576544 0.163550 H\n0.839512 0.923456 0.836450 H\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.529588 0.162192 0.713949 S\n0.029588 0.337808 0.286051 S\n0.470412 0.837808 0.286051 S\n0.970412 0.662192 0.713949 S\n0.515724 0.347459 0.437526 N\n0.015724 0.152541 0.562474 N\n0.484276 0.652541 0.562474 N\n0.984276 0.847459 0.437526 N\n0.225567 0.429388 0.586736 N\n0.725567 0.070612 0.413264 N\n0.774433 0.570612 0.413264 N\n0.274433 0.929388 0.586736 N\n0.714702 0.359104 0.044992 N\n0.214702 0.140896 0.955008 N\n0.285298 0.640896 0.955008 N\n0.785298 0.859104 0.044992 N\n0.524816 0.471089 0.847336 N\n0.024816 0.028911 0.152664 N\n0.475184 0.528911 0.152664 N\n0.975184 0.971089 0.847336 N\n0.678575 0.440678 0.596022 O\n0.178575 0.059322 0.403978 O\n0.321425 0.559322 0.403978 O\n0.821425 0.940678 0.596022 O\n0.726585 0.589603 0.981695 O\n0.226585 0.910397 0.018305 O\n0.273415 0.410397 0.018305 O\n0.773415 0.089603 0.981695 O\n0.758529 0.169053 0.745160 O\n0.258529 0.330947 0.254840 O\n0.241471 0.830947 0.254840 O\n0.741471 0.669053 0.745160 O\n0.517646 0.158129 0.602121 O\n0.017646 0.341871 0.397879 O\n0.482354 0.841871 0.397879 O\n0.982354 0.658129 0.602121 O\n0.418315 0.056753 0.769546 O\n0.918315 0.443247 0.230454 O\n0.581685 0.943247 0.230454 O\n0.081685 0.556753 0.769546 O\n0.397241 0.257699 0.738119 O\n0.897241 0.242301 0.261881 O\n0.602759 0.742301 0.261881 O\n0.102759 0.757699 0.738119 O\n0.027202 0.621745 0.151385 O\n0.527202 0.878255 0.848615 O\n0.972798 0.378255 0.848615 O\n0.472798 0.121745 0.151385 O\n",
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{
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"structure_string": "Li4 Nb3 V3 Ni2 O16\n1.0\n3.044474 5.257900 0.000000\n-3.044474 5.257900 0.000000\n0.000000 0.067759 9.881362\nLi Nb V Ni O\n4 3 3 2 16\ndirect\n0.666072 0.666072 0.900273 Li\n0.005995 0.005995 0.003446 Li\n0.012102 0.012102 0.492080 Li\n0.332610 0.332610 0.382510 Li\n0.828899 0.828899 0.218758 Nb\n0.660462 0.163988 0.714985 Nb\n0.163988 0.660462 0.714985 Nb\n0.826924 0.339439 0.212143 V\n0.339439 0.826924 0.212143 V\n0.168071 0.168071 0.711941 V\n0.659710 0.659710 0.480589 Ni\n0.327284 0.327284 0.007753 Ni\n0.839718 0.316906 0.606993 O\n0.517474 0.517474 0.331432 O\n0.673525 0.673525 0.098398 O\n0.997800 0.997800 0.313789 O\n0.997075 0.997075 0.817626 O\n0.316906 0.839718 0.606993 O\n0.964669 0.518112 0.336476 O\n0.518112 0.964669 0.336476 O\n0.158503 0.158503 0.109515 O\n0.840359 0.840359 0.600620 O\n0.486794 0.032918 0.831558 O\n0.032918 0.486794 0.831558 O\n0.338986 0.338986 0.597446 O\n0.677051 0.158333 0.103306 O\n0.483929 0.483929 0.829974 O\n0.158333 0.677051 0.103306 O\n",
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"formula_full": "Li4 Nb3 V3 Ni2 O16",
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{
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},
{
"id": "mp-1193369",
"created_at": "2022-09-04T14:46:10.785118Z",
"structure_string": "Ti2 Pb4 Se4 Cl2 O14 F2\n1.0\n0.000000 -5.456952 0.000000\n-7.893144 0.000000 3.091013\n0.041979 0.000000 -10.950525\nTi Pb Se Cl O F\n2 4 4 2 14 2\ndirect\n0.020816 0.650872 0.042803 Ti\n0.520816 0.349128 0.957197 Ti\n0.563234 0.832835 0.810000 Pb\n0.063234 0.167165 0.190000 Pb\n0.519545 0.291910 0.503719 Pb\n0.019545 0.708090 0.496281 Pb\n0.023267 0.126284 0.809041 Se\n0.523267 0.873716 0.190959 Se\n0.015098 0.508936 0.721592 Se\n0.515098 0.491064 0.278408 Se\n0.498609 0.874686 0.549688 Cl\n0.998609 0.125314 0.450312 Cl\n0.796818 0.167662 0.931243 O\n0.296818 0.832338 0.068757 O\n0.289287 0.121725 0.895685 O\n0.789287 0.878275 0.104315 O\n0.969073 0.912318 0.733249 O\n0.469073 0.087682 0.266751 O\n0.788923 0.559376 0.629839 O\n0.288923 0.440624 0.370161 O\n0.266835 0.579321 0.662543 O\n0.766835 0.420679 0.337457 O\n0.953175 0.676266 0.870873 O\n0.453175 0.323734 0.129127 O\n0.224292 0.473172 0.968083 O\n0.724292 0.526828 0.031917 O\n0.068179 0.678431 0.222443 F\n0.568179 0.321569 0.777557 F\n",
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