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"results": [
{
"id": "mp-775484",
"created_at": "2022-09-04T14:39:43.251468Z",
"structure_string": "Ba6 Li2 Ti16 O39\n1.0\n5.906726 7.662750 0.000000\n-5.906726 7.662750 0.000000\n0.000000 1.396229 9.091765\nBa Li Ti O\n6 2 16 39\ndirect\n0.949111 0.949111 0.771522 Ba\n0.713741 0.392551 0.232138 Ba\n0.392551 0.713741 0.232138 Ba\n0.607449 0.286259 0.767862 Ba\n0.286259 0.607449 0.767862 Ba\n0.050889 0.050889 0.228478 Ba\n0.738568 0.738568 0.230688 Li\n0.261432 0.261432 0.769312 Li\n0.989787 0.667263 0.436597 Ti\n0.667263 0.989787 0.436597 Ti\n0.925795 0.588675 0.769659 Ti\n0.588675 0.925795 0.769659 Ti\n0.665649 0.665649 0.555809 Ti\n0.959699 0.282696 0.903225 Ti\n0.282696 0.959699 0.903225 Ti\n0.621898 0.621898 0.913717 Ti\n0.378102 0.378102 0.086283 Ti\n0.717304 0.040301 0.096775 Ti\n0.040301 0.717304 0.096775 Ti\n0.334351 0.334351 0.444191 Ti\n0.411325 0.074205 0.230341 Ti\n0.074205 0.411325 0.230341 Ti\n0.010213 0.332737 0.563403 Ti\n0.332737 0.010213 0.563403 Ti\n0.877081 0.877081 0.101572 O\n0.801619 0.801619 0.437486 O\n0.739424 0.739424 0.762295 O\n0.936301 0.592671 0.241521 O\n0.592671 0.936301 0.241521 O\n0.868315 0.534821 0.570084 O\n0.534821 0.868315 0.570084 O\n0.804651 0.468913 0.884655 O\n0.468913 0.804651 0.884655 O\n0.002055 0.335222 0.086389 O\n0.335222 0.002055 0.086389 O\n0.661828 0.661828 0.082088 O\n0.964922 0.300107 0.381795 O\n0.300107 0.964922 0.381795 O\n0.619896 0.619896 0.392037 O\n0.571534 0.571534 0.701385 O\n0.906787 0.237522 0.703017 O\n0.237522 0.906787 0.703017 O\n0.172132 0.827868 0.000000 O\n0.500000 0.500000 0.000000 O\n0.827868 0.172132 0.000000 O\n0.762478 0.093213 0.296983 O\n0.428466 0.428466 0.298615 O\n0.093213 0.762478 0.296983 O\n0.035078 0.699893 0.618205 O\n0.699893 0.035078 0.618205 O\n0.380104 0.380104 0.607963 O\n0.664778 0.997945 0.913611 O\n0.338172 0.338172 0.917912 O\n0.997945 0.664778 0.913611 O\n0.195349 0.531087 0.115345 O\n0.531087 0.195349 0.115345 O\n0.131685 0.465179 0.429916 O\n0.465179 0.131685 0.429916 O\n0.063699 0.407329 0.758479 O\n0.407329 0.063699 0.758479 O\n0.260576 0.260576 0.237705 O\n0.198381 0.198381 0.562514 O\n0.122919 0.122919 0.898428 O\n",
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"formula_full": "Ba6 Li2 Ti16 O39",
"formula_reduced": "Ba6Li2Ti16O39",
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"updated_at": "2021-11-28T01:34:39.329000Z",
"spacegroup": 12
},
{
"id": "mp-571245",
"created_at": "2022-09-04T14:48:22.050460Z",
"structure_string": "Ho8 Fe56 C4\n1.0\n8.716139 0.000000 0.000000\n0.000000 8.716139 0.000000\n0.000000 0.000000 11.690784\nHo Fe C\n8 56 4\ndirect\n0.240963 0.759037 0.500000 Ho\n0.144047 0.855953 0.000000 Ho\n0.759037 0.240963 0.500000 Ho\n0.855953 0.144047 0.000000 Ho\n0.259037 0.259037 0.000000 Ho\n0.355953 0.355953 0.500000 Ho\n0.740963 0.740963 0.000000 Ho\n0.644047 0.644047 0.500000 Ho\n0.903044 0.903044 0.203269 Fe\n0.935852 0.725406 0.379704 Fe\n0.725406 0.935852 0.379704 Fe\n0.315705 0.315705 0.754716 Fe\n0.435852 0.774594 0.879704 Fe\n0.596956 0.403044 0.703269 Fe\n0.274594 0.064148 0.620296 Fe\n0.564148 0.225406 0.879704 Fe\n0.964447 0.642216 0.175154 Fe\n0.000000 0.500000 0.000000 Fe\n0.964447 0.642216 0.824846 Fe\n0.225406 0.564148 0.120296 Fe\n0.684295 0.684295 0.754716 Fe\n0.225406 0.564148 0.879704 Fe\n0.642216 0.964447 0.175154 Fe\n0.500000 0.500000 0.108056 Fe\n0.500000 0.000000 0.000000 Fe\n0.403044 0.596956 0.296731 Fe\n0.184295 0.815705 0.254716 Fe\n0.535553 0.142216 0.324846 Fe\n0.096956 0.096956 0.796731 Fe\n0.064148 0.274594 0.620296 Fe\n0.315705 0.315705 0.245284 Fe\n0.815705 0.184295 0.254716 Fe\n0.142216 0.535553 0.675154 Fe\n0.464447 0.857784 0.675154 Fe\n0.184295 0.815705 0.745284 Fe\n0.684295 0.684295 0.245284 Fe\n0.535553 0.142216 0.675154 Fe\n0.725406 0.935852 0.620296 Fe\n0.357784 0.035553 0.175154 Fe\n0.000000 0.500000 0.500000 Fe\n0.274594 0.064148 0.379704 Fe\n0.035553 0.357784 0.175154 Fe\n0.935852 0.725406 0.620296 Fe\n0.500000 0.500000 0.891944 Fe\n0.596956 0.403044 0.296731 Fe\n0.142216 0.535553 0.324846 Fe\n0.435852 0.774594 0.120296 Fe\n0.403044 0.596956 0.703269 Fe\n0.000000 0.000000 0.608056 Fe\n0.064148 0.274594 0.379704 Fe\n0.096956 0.096956 0.203269 Fe\n0.857784 0.464447 0.324846 Fe\n0.035553 0.357784 0.824846 Fe\n0.774594 0.435852 0.879704 Fe\n0.564148 0.225406 0.120296 Fe\n0.000000 0.000000 0.391944 Fe\n0.642216 0.964447 0.824846 Fe\n0.815705 0.184295 0.745284 Fe\n0.857784 0.464447 0.675154 Fe\n0.903044 0.903044 0.796731 Fe\n0.500000 0.000000 0.500000 Fe\n0.774594 0.435852 0.120296 Fe\n0.357784 0.035553 0.824846 Fe\n0.464447 0.857784 0.324846 Fe\n0.372556 0.627444 0.000000 C\n0.127444 0.127444 0.500000 C\n0.872556 0.872556 0.500000 C\n0.627444 0.372556 0.000000 C\n",
"nsites": 68,
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"elements": [
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"C"
],
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"density": 8.403651928054908,
"density_atomic": 0.07656265427669406,
"volume": 888.1614756229714,
"volume_molar": 7.865637387957121,
"formula_full": "Ho8 Fe56 C4",
"formula_reduced": "Ho2Fe14C",
"formula_anonymous": "AB2C14",
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"updated_at": "2021-11-28T01:39:13.442000Z",
"spacegroup": 136
},
{
"id": "mp-1029862",
"created_at": "2022-09-04T14:43:40.937831Z",
"structure_string": "Na30 Mo14 N38\n1.0\n6.242887 0.000000 0.000000\n-2.563480 11.468854 0.000000\n-1.191499 -0.805330 18.767824\nNa Mo N\n30 14 38\ndirect\n0.542097 0.622858 0.449237 Na\n0.457903 0.377142 0.550763 Na\n0.548847 0.148932 0.637548 Na\n0.451153 0.851068 0.362452 Na\n0.739691 0.998374 0.194252 Na\n0.260309 0.001626 0.805748 Na\n0.913762 0.019122 0.366471 Na\n0.086238 0.980878 0.633529 Na\n0.864563 0.766678 0.296044 Na\n0.135437 0.233322 0.703956 Na\n0.822697 0.161239 0.834201 Na\n0.177303 0.838761 0.165799 Na\n0.895618 0.910393 0.915310 Na\n0.104382 0.089607 0.084690 Na\n0.694601 0.110324 0.995096 Na\n0.305399 0.889676 0.004904 Na\n0.671218 0.921459 0.520292 Na\n0.328782 0.078541 0.479708 Na\n0.658999 0.475483 0.296538 Na\n0.341001 0.524517 0.703462 Na\n0.960277 0.356372 0.005641 Na\n0.039723 0.643628 0.994359 Na\n0.893651 0.690151 0.802996 Na\n0.106349 0.309849 0.197004 Na\n0.694518 0.230024 0.394011 Na\n0.305482 0.769976 0.605989 Na\n0.568782 0.370076 0.837126 Na\n0.431218 0.629924 0.162874 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.587451 0.248388 0.131500 Mo\n0.412549 0.751612 0.868500 Mo\n0.793140 0.411362 0.693296 Mo\n0.206860 0.588638 0.306704 Mo\n0.739039 0.667355 0.614165 Mo\n0.260961 0.332645 0.385835 Mo\n0.039225 0.767127 0.458813 Mo\n0.960775 0.232873 0.541187 Mo\n0.902971 0.541787 0.143416 Mo\n0.097029 0.458213 0.856584 Mo\n0.672430 0.919929 0.723083 Mo\n0.327570 0.080071 0.276917 Mo\n0.700667 0.782578 0.055930 Mo\n0.299333 0.217422 0.944070 Mo\n0.810182 0.177138 0.122331 N\n0.189818 0.822862 0.877669 N\n0.876397 0.339127 0.612022 N\n0.123603 0.660873 0.387978 N\n0.575473 0.036395 0.307575 N\n0.424527 0.963605 0.692425 N\n0.624999 0.834668 0.811060 N\n0.375001 0.165332 0.188940 N\n0.702900 0.405108 0.170608 N\n0.297100 0.594892 0.829392 N\n0.536417 0.404992 0.417525 N\n0.463583 0.595008 0.582475 N\n0.719369 0.124764 0.509347 N\n0.280631 0.875236 0.490653 N\n0.925933 0.675612 0.538233 N\n0.074067 0.324388 0.461767 N\n0.966479 0.882342 0.054232 N\n0.033521 0.117658 0.945768 N\n0.824020 0.832710 0.420497 N\n0.175980 0.167290 0.579503 N\n0.746507 0.820826 0.646177 N\n0.253493 0.179174 0.353823 N\n0.886270 0.494233 0.907331 N\n0.113730 0.505767 0.092669 N\n0.554354 0.755545 0.961189 N\n0.445646 0.244455 0.038811 N\n0.743469 0.630442 0.086886 N\n0.256531 0.369558 0.913114 N\n0.899431 0.045471 0.737561 N\n0.100569 0.954529 0.262439 N\n0.037632 0.631978 0.226505 N\n0.962368 0.368022 0.773495 N\n0.836490 0.577127 0.689161 N\n0.163510 0.422873 0.310839 N\n0.509871 0.351608 0.704610 N\n0.490129 0.648392 0.295390 N\n0.522067 0.838189 0.113778 N\n0.477933 0.161811 0.886222 N\n",
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"volume": 1343.7529176931553,
"volume_molar": 9.868620996352288,
"formula_full": "Na30 Mo14 N38",
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"updated_at": "2021-11-28T01:36:22.238000Z",
"spacegroup": 2
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{
"id": "mp-758551",
"created_at": "2022-09-04T14:39:06.798826Z",
"structure_string": "K12 Eu4 Si12 H8 O40\n1.0\n6.052561 0.000000 0.000000\n0.000000 13.340593 0.000000\n0.000000 0.000000 13.903493\nK Eu Si H O\n12 4 12 8 40\ndirect\n0.928387 0.624991 0.750000 K\n0.590949 0.637425 0.515600 K\n0.590949 0.637425 0.984400 K\n0.090949 0.862575 0.015600 K\n0.090949 0.862575 0.484400 K\n0.428387 0.875009 0.250000 K\n0.571613 0.124991 0.750000 K\n0.909051 0.137425 0.515600 K\n0.909051 0.137425 0.984400 K\n0.409051 0.362575 0.015600 K\n0.409051 0.362575 0.484400 K\n0.071613 0.375009 0.250000 K\n0.585486 0.542151 0.250000 Eu\n0.085486 0.957849 0.750000 Eu\n0.914514 0.042151 0.250000 Eu\n0.414514 0.457849 0.750000 Eu\n0.089975 0.598233 0.102888 Si\n0.089975 0.598233 0.397112 Si\n0.427713 0.748704 0.750000 Si\n0.927713 0.751296 0.250000 Si\n0.589975 0.901767 0.602888 Si\n0.589975 0.901767 0.897112 Si\n0.410025 0.098233 0.102888 Si\n0.410025 0.098233 0.397112 Si\n0.072287 0.248704 0.750000 Si\n0.572287 0.251296 0.250000 Si\n0.910025 0.401767 0.602888 Si\n0.910025 0.401767 0.897112 Si\n0.112094 0.572978 0.941387 H\n0.112094 0.572978 0.558613 H\n0.612094 0.927022 0.441387 H\n0.612094 0.927022 0.058613 H\n0.387906 0.072978 0.941387 H\n0.387906 0.072978 0.558613 H\n0.887906 0.427022 0.058613 H\n0.887906 0.427022 0.441387 H\n0.872736 0.530149 0.127777 O\n0.872736 0.530149 0.372223 O\n0.321306 0.542861 0.127458 O\n0.321306 0.542861 0.372542 O\n0.437036 0.628078 0.750000 O\n0.090459 0.632334 0.514127 O\n0.090459 0.632334 0.985873 O\n0.678430 0.707926 0.250000 O\n0.071263 0.710992 0.154472 O\n0.071263 0.710992 0.345528 O\n0.571263 0.789008 0.654472 O\n0.571263 0.789008 0.845528 O\n0.178430 0.792074 0.750000 O\n0.590459 0.867666 0.485873 O\n0.590459 0.867666 0.014127 O\n0.937036 0.871922 0.250000 O\n0.821306 0.957139 0.627458 O\n0.821306 0.957139 0.872542 O\n0.372736 0.969851 0.627777 O\n0.372736 0.969851 0.872223 O\n0.627264 0.030149 0.127777 O\n0.627264 0.030149 0.372223 O\n0.178694 0.042861 0.127458 O\n0.178694 0.042861 0.372542 O\n0.062964 0.128078 0.750000 O\n0.409541 0.132334 0.514127 O\n0.409541 0.132334 0.985873 O\n0.821570 0.207926 0.250000 O\n0.428737 0.210992 0.154472 O\n0.428737 0.210992 0.345528 O\n0.928737 0.289008 0.654472 O\n0.928737 0.289008 0.845528 O\n0.321570 0.292074 0.750000 O\n0.909541 0.367666 0.014127 O\n0.909541 0.367666 0.485873 O\n0.562964 0.371922 0.250000 O\n0.678694 0.457139 0.627458 O\n0.678694 0.457139 0.872542 O\n0.127264 0.469851 0.627777 O\n0.127264 0.469851 0.872223 O\n",
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"formula_full": "K12 Eu4 Si12 H8 O40",
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{
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{
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]
}