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{
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"results": [
{
"id": "mp-1203396",
"created_at": "2022-09-04T14:44:28.942072Z",
"structure_string": "Rb8 Pd4 C16 N16 O4\n1.0\n0.000000 0.000000 7.716198\n9.967190 0.000000 0.000000\n0.000000 13.879907 0.000000\nRb Pd C N O\n8 4 16 16 4\ndirect\n0.307574 0.250000 0.750000 Rb\n0.192426 0.750000 0.750000 Rb\n0.692426 0.750000 0.250000 Rb\n0.807574 0.250000 0.250000 Rb\n0.750000 0.000000 0.599396 Rb\n0.750000 0.500000 0.900604 Rb\n0.250000 0.000000 0.400604 Rb\n0.250000 0.500000 0.099396 Rb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.002273 0.471058 0.642324 C\n0.497727 0.528942 0.642324 C\n0.002273 0.028942 0.857676 C\n0.497727 0.971058 0.857676 C\n0.997727 0.528942 0.357676 C\n0.502273 0.471058 0.357676 C\n0.997727 0.971058 0.142324 C\n0.502273 0.028942 0.142324 C\n0.969076 0.303004 0.479809 C\n0.530924 0.696996 0.479809 C\n0.969076 0.196996 0.020191 C\n0.530924 0.803004 0.020191 C\n0.030924 0.696996 0.520191 C\n0.469076 0.303004 0.520191 C\n0.030924 0.803004 0.979809 C\n0.469076 0.196996 0.979809 C\n0.011228 0.456508 0.726269 N\n0.488772 0.543492 0.726269 N\n0.011228 0.043492 0.773731 N\n0.488772 0.956508 0.773731 N\n0.988772 0.543492 0.273731 N\n0.511228 0.456508 0.273731 N\n0.988772 0.956508 0.226269 N\n0.511228 0.043492 0.226269 N\n0.951217 0.187866 0.465399 N\n0.548783 0.812134 0.465399 N\n0.951217 0.312134 0.034601 N\n0.548783 0.687866 0.034601 N\n0.048783 0.812134 0.534601 N\n0.451217 0.187866 0.534601 N\n0.048783 0.687866 0.965399 N\n0.451217 0.312134 0.965399 N\n0.717616 0.250000 0.750000 O\n0.782384 0.750000 0.750000 O\n0.282384 0.750000 0.250000 O\n0.217616 0.250000 0.250000 O\n",
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"formula_full": "Rb8 Pd4 C16 N16 O4",
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},
{
"id": "mp-1047841",
"created_at": "2022-09-04T14:44:24.185437Z",
"structure_string": "Ca2 Mo6 P6 O26\n1.0\n6.684754 0.000000 0.000000\n0.000000 7.839882 0.000000\n0.000000 1.833170 10.562330\nCa Mo P O\n2 6 6 26\ndirect\n0.750000 0.352138 0.194285 Ca\n0.250000 0.647862 0.805715 Ca\n0.250000 0.639016 0.204889 Mo\n0.750000 0.360984 0.795111 Mo\n0.250000 0.228800 0.441950 Mo\n0.500000 0.000000 0.000000 Mo\n0.750000 0.771200 0.558050 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.786854 0.493048 P\n0.750000 0.213146 0.506952 P\n0.250000 0.262519 0.766532 P\n0.750000 0.737481 0.233468 P\n0.750000 0.683069 0.888759 P\n0.250000 0.316931 0.111241 P\n0.750000 0.646611 0.748311 O\n0.568636 0.248255 0.413943 O\n0.250000 0.200291 0.640435 O\n0.553317 0.780560 0.904570 O\n0.750000 0.343872 0.599486 O\n0.750000 0.119454 0.902753 O\n0.250000 0.656128 0.400514 O\n0.053317 0.219440 0.095430 O\n0.250000 0.972184 0.415968 O\n0.750000 0.027816 0.584032 O\n0.070690 0.379839 0.787297 O\n0.250000 0.880546 0.097247 O\n0.570690 0.620161 0.212703 O\n0.750000 0.496684 0.966465 O\n0.750000 0.799709 0.359565 O\n0.446683 0.219440 0.095430 O\n0.931364 0.248255 0.413943 O\n0.431364 0.751745 0.586057 O\n0.429310 0.379839 0.787297 O\n0.250000 0.353389 0.251689 O\n0.750000 0.905231 0.127702 O\n0.250000 0.094769 0.872298 O\n0.929310 0.620161 0.212703 O\n0.946683 0.780560 0.904570 O\n0.068636 0.751745 0.586057 O\n0.250000 0.503316 0.033535 O\n",
"nsites": 40,
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"elements": [
"Ca",
"Mo",
"P",
"O"
],
"chemical_system": "Ca-Mo-O-P",
"density": 3.7726357097313956,
"density_atomic": 0.07226122230234289,
"volume": 553.5472377236982,
"volume_molar": 8.333848457203231,
"formula_full": "Ca2 Mo6 P6 O26",
"formula_reduced": "CaMo3P3O13",
"formula_anonymous": "AB3C3D13",
"energy": -332.01243273,
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"updated_at": "2021-11-28T01:36:37.183000Z",
"spacegroup": 11
},
{
"id": "mp-1244921",
"created_at": "2022-09-04T14:48:31.120321Z",
"structure_string": "Zn50 S50\n1.0\n13.017788 -0.051732 -0.773331\n-0.003545 14.269960 0.920065\n-0.764031 0.924506 13.003908\nZn S\n50 50\ndirect\n0.407023 0.289109 0.090411 Zn\n0.503683 0.311117 0.457761 Zn\n0.526822 0.372910 0.194750 Zn\n0.049332 0.844098 0.067791 Zn\n0.571577 0.065342 0.580597 Zn\n0.578076 0.729617 0.028324 Zn\n0.665969 0.952252 0.174232 Zn\n0.873768 0.329562 0.414692 Zn\n0.700310 0.968217 0.727426 Zn\n0.291948 0.837191 0.035880 Zn\n0.522957 0.988793 0.351958 Zn\n0.909474 0.241037 0.896158 Zn\n0.250393 0.605641 0.640273 Zn\n0.838465 0.705720 0.215136 Zn\n0.774426 0.422061 0.753619 Zn\n0.586021 0.384763 0.913148 Zn\n0.393321 0.687368 0.049141 Zn\n0.840977 0.099548 0.580166 Zn\n0.983841 0.194823 0.167352 Zn\n0.488447 0.693935 0.860075 Zn\n0.187772 0.948875 0.292526 Zn\n0.276690 0.867312 0.691972 Zn\n0.735929 0.542889 0.939367 Zn\n0.963620 0.104085 0.374976 Zn\n0.537608 0.570552 0.366494 Zn\n0.989550 0.854991 0.312730 Zn\n0.748229 0.915905 0.931587 Zn\n0.997704 0.452868 0.438961 Zn\n0.599953 0.579952 0.648679 Zn\n0.257786 0.105632 0.862744 Zn\n0.103810 0.877921 0.464301 Zn\n0.393110 0.261540 0.733844 Zn\n0.731272 0.117539 0.332492 Zn\n0.145434 0.109231 0.008566 Zn\n0.669801 0.764524 0.820819 Zn\n0.558718 0.896321 0.836710 Zn\n0.725370 0.783006 0.381428 Zn\n0.164807 0.659117 0.339314 Zn\n0.320040 0.448235 0.900056 Zn\n0.249394 0.227051 0.279581 Zn\n0.921605 0.643426 0.714993 Zn\n0.296123 0.827136 0.419482 Zn\n0.017863 0.443378 0.731491 Zn\n0.995670 0.920380 0.693685 Zn\n0.597726 0.888420 0.569951 Zn\n0.810947 0.344258 0.024068 Zn\n0.813885 0.576390 0.510754 Zn\n0.217826 0.637591 0.893607 Zn\n0.119111 0.215839 0.815005 Zn\n0.273158 0.432120 0.431402 Zn\n0.359885 0.984436 0.932096 S\n0.639172 0.187008 0.456162 S\n0.679002 0.424334 0.068587 S\n0.324491 0.710993 0.760747 S\n0.326085 0.281627 0.424149 S\n0.808183 0.865305 0.249633 S\n0.413155 0.029928 0.470707 S\n0.136472 0.957439 0.608004 S\n0.951261 0.100161 0.019884 S\n0.588263 0.420414 0.350619 S\n0.179224 0.508214 0.779726 S\n0.880433 0.524731 0.842500 S\n0.022039 0.765435 0.772269 S\n0.576913 0.549729 0.824866 S\n0.177520 0.716697 0.502565 S\n0.982985 0.319732 0.037768 S\n0.181988 0.951378 0.105846 S\n0.423202 0.319438 0.898757 S\n0.604394 0.892534 0.026483 S\n0.765351 0.247036 0.541046 S\n0.462289 0.613828 0.515289 S\n0.970388 0.287301 0.737935 S\n0.107807 0.115328 0.296123 S\n0.241468 0.192620 0.698090 S\n0.254351 0.215809 0.111073 S\n0.985311 0.553138 0.580791 S\n0.416451 0.645580 0.238246 S\n0.677884 0.739697 0.650177 S\n0.310026 0.539910 0.026288 S\n0.366056 0.503020 0.571576 S\n0.310304 0.742642 0.275644 S\n0.016635 0.729982 0.209892 S\n0.567662 0.835541 0.404330 S\n0.910106 0.957797 0.011490 S\n0.813991 0.742038 0.576386 S\n0.846092 0.010923 0.447579 S\n0.876603 0.018508 0.738821 S\n0.737454 0.627885 0.341935 S\n0.130740 0.500469 0.339755 S\n0.702918 0.474481 0.591369 S\n0.758471 0.667427 0.048697 S\n0.401247 0.893390 0.553591 S\n0.552034 0.152739 0.713483 S\n0.112619 0.762894 0.920566 S\n0.825618 0.757712 0.934737 S\n0.590996 0.079510 0.220382 S\n0.399214 0.960837 0.787456 S\n0.727646 0.293164 0.863175 S\n0.533837 0.297228 0.645611 S\n0.852674 0.230737 0.278099 S\n",
"nsites": 100,
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"elements": [
"Zn",
"S"
],
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"density": 3.377444643154488,
"density_atomic": 0.04173307150052973,
"volume": 2396.181167703668,
"volume_molar": 14.430140278372658,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -332.01503896,
"energy_per_atom": -3.3201503896,
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"updated_at": "2021-11-28T01:39:57.620000Z",
"spacegroup": 1
},
{
"id": "mp-768922",
"created_at": "2022-09-04T14:39:21.359649Z",
"structure_string": "Li6 V6 B6 O24\n1.0\n4.803440 -6.444370 0.000000\n4.803440 6.444370 0.000000\n-3.842428 0.000000 7.059653\nLi V B O\n6 6 6 24\ndirect\n0.915467 0.524438 0.763932 Li\n0.475562 0.236068 0.084533 Li\n0.236068 0.084533 0.475562 Li\n0.763932 0.915467 0.524438 Li\n0.524438 0.763932 0.915467 Li\n0.084533 0.475562 0.236068 Li\n0.862857 0.147492 0.297564 V\n0.702436 0.137143 0.852508 V\n0.852508 0.702436 0.137143 V\n0.147492 0.297564 0.862857 V\n0.297564 0.862857 0.147492 V\n0.137143 0.852508 0.702436 V\n0.616494 0.231240 0.454554 B\n0.768760 0.545446 0.383506 B\n0.545446 0.383506 0.768760 B\n0.454554 0.616494 0.231240 B\n0.231240 0.454554 0.616494 B\n0.383506 0.768760 0.545446 B\n0.706145 0.049017 0.048214 O\n0.951786 0.293855 0.950983 O\n0.737744 0.121266 0.451526 O\n0.548474 0.262256 0.878734 O\n0.413091 0.091552 0.345069 O\n0.654501 0.335521 0.652472 O\n0.878734 0.548474 0.262256 O\n0.664479 0.347528 0.345499 O\n0.908448 0.654931 0.586909 O\n0.654931 0.586909 0.908448 O\n0.347528 0.345499 0.664479 O\n0.950983 0.951786 0.293855 O\n0.049017 0.048214 0.706145 O\n0.652472 0.654501 0.335521 O\n0.345069 0.413091 0.091552 O\n0.091552 0.345069 0.413091 O\n0.335521 0.652472 0.654501 O\n0.121266 0.451526 0.737744 O\n0.345499 0.664479 0.347528 O\n0.586909 0.908448 0.654931 O\n0.451526 0.737744 0.121266 O\n0.262256 0.878734 0.548474 O\n0.048214 0.706145 0.049017 O\n0.293855 0.950983 0.951786 O\n",
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"formula_full": "Li6 V6 B6 O24",
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"updated_at": "2021-11-28T01:34:27.867000Z",
"spacegroup": 148
},
{
"id": "mp-1643277",
"created_at": "2022-09-04T14:48:19.882738Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n5.132431 0.185366 0.754512\n-2.279042 5.454019 0.840717\n-3.168049 -5.293533 13.649121\nLi Mn Co O\n14 8 2 24\ndirect\n0.166665 0.333327 0.166654 Li\n0.666676 0.833327 0.666664 Li\n0.601497 0.159408 0.092324 Li\n0.106266 0.657893 0.592051 Li\n0.731868 0.507198 0.240988 Li\n0.227097 0.008682 0.741286 Li\n0.758723 0.011615 0.246321 Li\n0.255759 0.503508 0.744619 Li\n0.574607 0.655010 0.087005 Li\n0.077557 0.163103 0.588685 Li\n0.920943 0.834424 0.417957 Li\n0.418246 0.331435 0.916455 Li\n0.915076 0.335236 0.416896 Li\n0.412313 0.832279 0.915358 Li\n0.007999 0.999064 0.001403 Mn\n0.511173 0.502417 0.503861 Mn\n0.325425 0.667801 0.331875 Mn\n0.822154 0.164204 0.829498 Mn\n0.993862 0.493660 0.002845 Mn\n0.499384 0.999712 0.504090 Mn\n0.339661 0.172993 0.330486 Mn\n0.833901 0.666751 0.829217 Mn\n0.666672 0.333371 0.666681 Co\n0.166671 0.833314 0.166673 Co\n0.245587 0.331625 0.032356 O\n0.750217 0.837762 0.533823 O\n0.087686 0.335109 0.300919 O\n0.583083 0.828904 0.799532 O\n0.463915 0.174014 0.216950 O\n0.944765 0.650968 0.712460 O\n0.869579 0.492648 0.116364 O\n0.388467 0.015692 0.620924 O\n0.588802 0.001092 0.377177 O\n0.086332 0.499184 0.876036 O\n0.246997 0.167550 0.457310 O\n0.744504 0.665638 0.956185 O\n0.278472 0.802416 0.044267 O\n0.780665 0.308446 0.546366 O\n0.054830 0.864326 0.289043 O\n0.552636 0.358215 0.787023 O\n0.422362 0.683932 0.211453 O\n0.927680 0.179224 0.711866 O\n0.910987 0.982698 0.121853 O\n0.405538 0.487409 0.621507 O\n0.616455 0.482895 0.378871 O\n0.113000 0.977228 0.876190 O\n0.220342 0.689462 0.457163 O\n0.716904 0.183829 0.954472 O\n",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 3.988949087841715,
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"volume": 432.3244493847001,
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"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -332.01900126,
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},
{
"id": "mp-753634",
"created_at": "2022-09-04T14:46:55.645427Z",
"structure_string": "Li8 Fe4 Si8 O24\n1.0\n-0.000300 -0.000278 7.341691\n-9.692909 3.682740 0.000378\n0.000271 -7.365331 -0.000323\nLi Fe Si O\n8 4 8 24\ndirect\n0.719283 0.831588 0.192937 Li\n0.219308 0.831589 0.692947 Li\n0.469413 0.667461 0.360906 Li\n0.969381 0.667484 0.860893 Li\n0.469343 0.331624 0.635764 Li\n0.969324 0.331575 0.135749 Li\n0.719436 0.167454 0.803749 Li\n0.219438 0.167448 0.303723 Li\n0.218441 0.499582 0.498369 Fe\n0.468587 0.999521 0.498359 Fe\n0.718740 0.499506 0.998334 Fe\n0.968406 0.999516 0.998379 Fe\n0.286417 0.834679 0.109571 Si\n0.786415 0.834686 0.609592 Si\n0.536407 0.664307 0.774334 Si\n0.036435 0.664324 0.274309 Si\n0.536323 0.334751 0.222322 Si\n0.036378 0.334741 0.722334 Si\n0.286349 0.164369 0.887153 Si\n0.786359 0.164374 0.387145 Si\n0.318515 0.987904 0.266731 O\n0.818565 0.987900 0.766702 O\n0.568385 0.511120 0.778272 O\n0.068397 0.511102 0.278127 O\n0.568381 0.487929 0.218277 O\n0.068443 0.487943 0.718371 O\n0.318397 0.011099 0.729982 O\n0.818432 0.011102 0.230018 O\n0.132375 0.829696 0.947679 O\n0.632384 0.829747 0.447694 O\n0.382335 0.669328 0.617467 O\n0.882399 0.669356 0.117416 O\n0.382271 0.329822 0.379207 O\n0.882374 0.329807 0.879237 O\n0.132322 0.169321 0.049022 O\n0.632354 0.169310 0.549028 O\n0.234453 0.727641 0.228667 O\n0.734415 0.727637 0.728650 O\n0.484441 0.771389 0.000503 O\n0.984422 0.771363 0.500497 O\n0.484391 0.227626 0.996187 O\n0.984384 0.227659 0.496202 O\n0.234386 0.271418 0.768023 O\n0.734356 0.271429 0.268043 O\n",
"nsites": 44,
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"O"
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}
]
}