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{
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"results": [
{
"id": "mp-764791",
"created_at": "2022-09-04T14:40:10.576764Z",
"structure_string": "Li8 Mn4 Si8 O24\n1.0\n-2.891112 5.141476 -0.271093\n-8.638788 -4.858111 -0.000111\n-0.203854 0.362675 9.284194\nLi Mn Si O\n8 4 8 24\ndirect\n0.057434 0.411040 0.896630 Li\n0.557434 0.911039 0.896629 Li\n0.557451 0.088958 0.396622 Li\n0.057451 0.588957 0.396622 Li\n0.941028 0.326170 0.632105 Li\n0.441027 0.826171 0.632106 Li\n0.441050 0.173832 0.132094 Li\n0.941051 0.673832 0.132093 Li\n0.487513 0.753972 0.255626 Mn\n0.487481 0.246019 0.755614 Mn\n0.987516 0.253960 0.255623 Mn\n0.987483 0.746031 0.755612 Mn\n0.340424 0.470584 0.134123 Si\n0.840425 0.970583 0.134123 Si\n0.840416 0.029419 0.634124 Si\n0.340416 0.529419 0.634124 Si\n0.665788 0.469344 0.366124 Si\n0.165786 0.969344 0.366124 Si\n0.165777 0.030663 0.866117 Si\n0.665778 0.530663 0.866117 Si\n0.240934 0.397441 0.718288 O\n0.740940 0.897438 0.718287 O\n0.740947 0.102555 0.218294 O\n0.240942 0.602550 0.218294 O\n0.150198 0.359349 0.091810 O\n0.650205 0.859351 0.091805 O\n0.650185 0.140631 0.591809 O\n0.150178 0.640633 0.591814 O\n0.889572 0.386690 0.419327 O\n0.389569 0.886692 0.419330 O\n0.389574 0.113310 0.919326 O\n0.889577 0.613311 0.919322 O\n0.746137 0.381514 0.810702 O\n0.246131 0.881511 0.810700 O\n0.246156 0.118495 0.310701 O\n0.746163 0.618491 0.310702 O\n0.538192 0.388239 0.230093 O\n0.038190 0.888243 0.230092 O\n0.038179 0.111763 0.730098 O\n0.538181 0.611766 0.730098 O\n0.468706 0.475061 0.489342 O\n0.968707 0.975062 0.489343 O\n0.968701 0.024960 0.989342 O\n0.468698 0.524960 0.989341 O\n",
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"updated_at": "2021-11-28T01:34:57.536000Z",
"spacegroup": 9
},
{
"id": "mp-557200",
"created_at": "2022-09-04T14:41:50.594774Z",
"structure_string": "K4 Nb11 Al2 O20 F1\n1.0\n-4.453871 4.453871 6.418317\n4.453871 -4.453871 6.418317\n4.453871 4.453871 -6.418317\nK Nb Al O F\n4 11 2 20 1\ndirect\n0.807504 0.500000 0.307504 K\n0.500000 0.192496 0.692496 K\n0.500000 0.807504 0.307504 K\n0.192496 0.500000 0.692496 K\n0.998955 0.676063 0.000000 Nb\n0.676063 0.998955 0.000000 Nb\n0.676063 0.676063 0.677108 Nb\n0.001045 0.001045 0.677108 Nb\n0.998955 0.998955 0.322892 Nb\n0.323937 0.323937 0.322892 Nb\n0.323937 0.001045 0.000000 Nb\n0.000000 0.000000 0.000000 Nb\n0.684737 0.684737 0.000000 Nb\n0.315263 0.315263 0.000000 Nb\n0.001045 0.323937 0.000000 Nb\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.159873 0.490580 0.000000 O\n0.840127 0.509420 0.000000 O\n0.166280 0.827150 0.660870 O\n0.166280 0.505410 0.339130 O\n0.159873 0.159873 0.669293 O\n0.509420 0.509420 0.669293 O\n0.830329 0.830329 0.660657 O\n0.169671 0.830329 0.000000 O\n0.509420 0.840127 0.000000 O\n0.830329 0.169671 0.000000 O\n0.490580 0.159873 0.000000 O\n0.169671 0.169671 0.339343 O\n0.833720 0.494590 0.660870 O\n0.490580 0.490580 0.330707 O\n0.840127 0.840127 0.330707 O\n0.505410 0.166280 0.339130 O\n0.833720 0.172850 0.339130 O\n0.827150 0.166280 0.660870 O\n0.494590 0.833720 0.660870 O\n0.172850 0.833720 0.339130 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 38,
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"elements": [
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"O",
"F"
],
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"density_atomic": 0.07461517706399284,
"volume": 509.27976713651356,
"volume_molar": 8.070932747147651,
"formula_full": "K4 Nb11 Al2 O20 F1",
"formula_reduced": "K4Nb11Al2O20F",
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"updated_at": "2021-11-28T01:35:28.734000Z",
"spacegroup": 139
},
{
"id": "mp-1180684",
"created_at": "2022-09-04T14:47:26.324999Z",
"structure_string": "Na4 H32 Se4 N4 O24\n1.0\n11.280349 0.000000 0.000000\n0.000000 14.168260 0.000000\n0.000000 0.000000 6.028211\nNa H Se N O\n4 32 4 4 24\ndirect\n0.315479 0.956716 0.096447 Na\n0.684521 0.043284 0.096447 Na\n0.815479 0.543284 0.903553 Na\n0.184521 0.456716 0.903553 Na\n0.361598 0.763220 0.789776 H\n0.638402 0.236780 0.789776 H\n0.861598 0.736780 0.210224 H\n0.138402 0.263220 0.210224 H\n0.030205 0.826534 0.706497 H\n0.969795 0.173466 0.706497 H\n0.530205 0.673466 0.293503 H\n0.469795 0.326534 0.293503 H\n0.011687 0.601454 0.675763 H\n0.988313 0.398546 0.675763 H\n0.511687 0.898546 0.324237 H\n0.488313 0.101454 0.324237 H\n0.420513 0.827254 0.398973 H\n0.579487 0.172746 0.398973 H\n0.920513 0.672746 0.601027 H\n0.079487 0.327254 0.601027 H\n0.307633 0.677637 0.166563 H\n0.692367 0.322363 0.166563 H\n0.807633 0.822363 0.833437 H\n0.192367 0.177637 0.833437 H\n0.024691 0.653939 0.105019 H\n0.975309 0.346061 0.105019 H\n0.524691 0.846061 0.894981 H\n0.475309 0.153939 0.894981 H\n0.057317 0.565838 0.238632 H\n0.942683 0.434162 0.238632 H\n0.557317 0.934162 0.761368 H\n0.442683 0.065838 0.761368 H\n0.251395 0.677320 0.099461 H\n0.748605 0.322680 0.099461 H\n0.751395 0.822680 0.900539 H\n0.248605 0.177320 0.900539 H\n0.498673 0.632821 0.686160 Se\n0.501327 0.367179 0.686160 Se\n0.998673 0.867179 0.313840 Se\n0.001327 0.132821 0.313840 Se\n0.361405 0.385213 0.743975 N\n0.638594 0.614787 0.743975 N\n0.861406 0.114787 0.256025 N\n0.138595 0.885213 0.256025 N\n0.444529 0.753420 0.832619 O\n0.555471 0.246580 0.832619 O\n0.944529 0.746580 0.167381 O\n0.055471 0.253420 0.167381 O\n0.473690 0.698877 0.401175 O\n0.526310 0.301123 0.401175 O\n0.973690 0.801123 0.598825 O\n0.026310 0.198877 0.598825 O\n0.246578 0.588460 0.593137 O\n0.753422 0.411540 0.593137 O\n0.746578 0.911540 0.406863 O\n0.253422 0.088460 0.406863 O\n0.442058 0.088241 0.914124 O\n0.557942 0.911759 0.914124 O\n0.942058 0.411759 0.085876 O\n0.057942 0.588241 0.085876 O\n0.312336 0.159732 0.352737 O\n0.687664 0.840268 0.352737 O\n0.812336 0.340268 0.647263 O\n0.187664 0.659732 0.647263 O\n0.429995 0.896067 0.376897 O\n0.570005 0.103933 0.376897 O\n0.929995 0.603933 0.623103 O\n0.070005 0.396067 0.623103 O\n",
"nsites": 68,
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"elements": [
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"H",
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"N",
"O"
],
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"density": 1.5168289972017697,
"density_atomic": 0.07057996087101406,
"volume": 963.446269462674,
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"formula_full": "Na4 H32 Se4 N4 O24",
"formula_reduced": "NaH8SeNO6",
"formula_anonymous": "ABCD6E8",
"energy": -332.40110526,
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"updated_at": "2021-11-28T01:38:09.497000Z",
"spacegroup": 18
},
{
"id": "mp-1195876",
"created_at": "2022-09-04T14:41:54.503166Z",
"structure_string": "U8 B24 Mo4\n1.0\n3.696321 0.000000 0.000000\n0.000000 9.264243 0.000000\n0.000000 0.000000 11.351560\nU B Mo\n8 24 4\ndirect\n0.000000 0.334814 0.407737 U\n0.000000 0.665186 0.592263 U\n0.000000 0.834814 0.092263 U\n0.000000 0.165186 0.907737 U\n0.000000 0.955877 0.394449 U\n0.000000 0.044123 0.605551 U\n0.000000 0.455877 0.105551 U\n0.000000 0.544123 0.894449 U\n0.500000 0.549481 0.433259 B\n0.500000 0.450519 0.566741 B\n0.500000 0.049481 0.066741 B\n0.500000 0.950519 0.933259 B\n0.500000 0.742811 0.424210 B\n0.500000 0.257189 0.575790 B\n0.500000 0.242811 0.075790 B\n0.500000 0.757189 0.924210 B\n0.500000 0.803032 0.272646 B\n0.500000 0.196968 0.727354 B\n0.500000 0.303032 0.227354 B\n0.500000 0.696968 0.772646 B\n0.500000 0.644004 0.187259 B\n0.500000 0.355996 0.812741 B\n0.500000 0.144004 0.312741 B\n0.500000 0.855996 0.687259 B\n0.500000 0.984862 0.218385 B\n0.500000 0.015138 0.781615 B\n0.500000 0.484862 0.281615 B\n0.500000 0.515138 0.718385 B\n0.500000 0.641918 0.039207 B\n0.500000 0.358082 0.960793 B\n0.500000 0.141918 0.460793 B\n0.500000 0.858082 0.539207 B\n0.000000 0.644438 0.320095 Mo\n0.000000 0.355562 0.679905 Mo\n0.000000 0.144438 0.179905 Mo\n0.000000 0.855562 0.820095 Mo\n",
"nsites": 36,
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],
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"formula_full": "U8 B24 Mo4",
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},
{
"id": "mp-768593",
"created_at": "2022-09-04T14:40:52.814129Z",
"structure_string": "Li6 Fe4 P4 C4 O28\n1.0\n8.258224 0.000000 0.000000\n-1.870943 8.052776 0.000000\n-0.398650 -0.662083 8.356435\nLi Fe P C O\n6 4 4 4 28\ndirect\n0.261749 0.006801 0.891000 Li\n0.763506 0.503145 0.896889 Li\n0.896156 0.862521 0.719007 Li\n0.103844 0.137479 0.280993 Li\n0.236494 0.496855 0.103111 Li\n0.738251 0.993199 0.109000 Li\n0.026832 0.280667 0.674628 Fe\n0.520637 0.774431 0.660444 Fe\n0.973168 0.719333 0.325372 Fe\n0.479363 0.225569 0.339556 Fe\n0.231876 0.990199 0.577229 P\n0.740281 0.490604 0.579897 P\n0.768124 0.009801 0.422771 P\n0.259719 0.509396 0.420103 P\n0.981908 0.217011 0.961700 C\n0.480333 0.729111 0.955692 C\n0.018092 0.782989 0.038300 C\n0.519667 0.270889 0.044308 C\n0.094308 0.347443 0.929771 O\n0.601366 0.851712 0.926654 O\n0.045042 0.828252 0.898334 O\n0.895248 0.132354 0.836677 O\n0.560018 0.314294 0.907800 O\n0.393925 0.646420 0.829291 O\n0.179506 0.117292 0.696732 O\n0.366705 0.929291 0.675950 O\n0.860303 0.422318 0.691271 O\n0.695377 0.630337 0.693261 O\n0.075700 0.846579 0.529569 O\n0.707112 0.932465 0.578452 O\n0.184338 0.442465 0.572546 O\n0.583051 0.350496 0.530104 O\n0.924300 0.153421 0.470431 O\n0.292888 0.067535 0.421548 O\n0.815662 0.557535 0.427454 O\n0.416949 0.649504 0.469896 O\n0.820494 0.882708 0.303268 O\n0.139697 0.577682 0.308729 O\n0.633295 0.070709 0.324050 O\n0.304623 0.369663 0.306739 O\n0.104752 0.867646 0.163323 O\n0.954958 0.171748 0.101666 O\n0.606075 0.353580 0.170709 O\n0.439982 0.685706 0.092200 O\n0.398634 0.148288 0.073346 O\n0.905692 0.652557 0.070229 O\n",
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},
{
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"structure_string": "Hf12 N12 O6\n1.0\n2.730441 4.751372 0.000000\n-2.730441 4.751372 0.000000\n0.000000 0.018191 14.612119\nHf N O\n12 12 6\ndirect\n0.996245 0.000249 0.642947 Hf\n0.000249 0.996245 0.142947 Hf\n0.676951 0.677782 0.809901 Hf\n0.678279 0.673916 0.524026 Hf\n0.677782 0.676951 0.309901 Hf\n0.673916 0.678279 0.024026 Hf\n0.326084 0.321721 0.975974 Hf\n0.322218 0.323049 0.690099 Hf\n0.321721 0.326084 0.475974 Hf\n0.323049 0.322218 0.190099 Hf\n0.999751 0.003755 0.857053 Hf\n0.003755 0.999751 0.357053 Hf\n0.003618 0.291607 0.751906 N\n0.291607 0.003618 0.251906 N\n0.368052 0.956023 0.917704 N\n0.956023 0.368052 0.417704 N\n0.338882 0.034532 0.584634 N\n0.034532 0.338882 0.084634 N\n0.965468 0.661118 0.915366 N\n0.661118 0.965468 0.415366 N\n0.043977 0.631948 0.582296 N\n0.631948 0.043977 0.082296 N\n0.708393 0.996382 0.748094 N\n0.996382 0.708393 0.248094 N\n0.665454 0.355652 0.918046 O\n0.355652 0.665454 0.418046 O\n0.644348 0.334546 0.581954 O\n0.334546 0.644348 0.081954 O\n0.311336 0.688664 0.750000 O\n0.688664 0.311336 0.250000 O\n",
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},
{
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