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{
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"results": [
{
"id": "mp-1217566",
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"structure_string": "Ti8 Nb2 Bi14 O42\n1.0\n2.757493 29.643172 0.000000\n-2.757493 29.643172 0.000000\n0.000000 0.486557 5.433758\nTi Nb Bi O\n8 2 14 42\ndirect\n0.386829 0.466950 0.573346 Ti\n0.533050 0.613172 0.426654 Ti\n0.033139 0.113177 0.927262 Ti\n0.886823 0.966861 0.072738 Ti\n0.464493 0.535507 0.500000 Ti\n0.964627 0.035373 0.000000 Ti\n0.742628 0.832605 0.714071 Ti\n0.167394 0.257372 0.285929 Ti\n0.664430 0.760683 0.782699 Nb\n0.239317 0.335570 0.217301 Nb\n0.252268 0.247328 0.745765 Bi\n0.752672 0.747732 0.254235 Bi\n0.342128 0.329682 0.684872 Bi\n0.670318 0.657872 0.315128 Bi\n0.166772 0.161704 0.864644 Bi\n0.838296 0.833228 0.135356 Bi\n0.880815 0.878051 0.595458 Bi\n0.121949 0.119185 0.404542 Bi\n0.619391 0.621812 0.854605 Bi\n0.378188 0.380609 0.145395 Bi\n0.972558 0.951715 0.538777 Bi\n0.048285 0.027442 0.461223 Bi\n0.548203 0.527524 0.962758 Bi\n0.472476 0.451797 0.037242 Bi\n0.915522 0.658578 0.411260 O\n0.341422 0.084478 0.588740 O\n0.846488 0.579369 0.480517 O\n0.420631 0.153512 0.519483 O\n0.171553 0.817510 0.260923 O\n0.182490 0.828447 0.739077 O\n0.682480 0.328478 0.750083 O\n0.671522 0.317520 0.249917 O\n0.757034 0.877854 0.751524 O\n0.122146 0.242966 0.248476 O\n0.623694 0.739115 0.883615 O\n0.260885 0.376306 0.116385 O\n0.382786 0.551017 0.607010 O\n0.448983 0.617214 0.392990 O\n0.948661 0.117517 0.041089 O\n0.882483 0.051339 0.958911 O\n0.578804 0.280209 0.863983 O\n0.719791 0.421196 0.136017 O\n0.219728 0.921194 0.223736 O\n0.078806 0.780272 0.776264 O\n0.493453 0.062301 0.006944 O\n0.937699 0.506547 0.993056 O\n0.435022 0.009270 0.063167 O\n0.990730 0.564978 0.936833 O\n0.352096 0.442230 0.543173 O\n0.557770 0.647904 0.456827 O\n0.059112 0.146568 0.838544 O\n0.853432 0.940888 0.161456 O\n0.152083 0.721982 0.288077 O\n0.278018 0.847917 0.711923 O\n0.777970 0.347970 0.662630 O\n0.652030 0.222030 0.337370 O\n0.595435 0.120719 0.896554 O\n0.879281 0.404565 0.103446 O\n0.379077 0.904811 0.115282 O\n0.095189 0.620923 0.884718 O\n0.659113 0.840587 0.670579 O\n0.159413 0.340887 0.329421 O\n0.093646 0.620645 0.386939 O\n0.379355 0.906354 0.613061 O\n0.878900 0.406783 0.602996 O\n0.593217 0.121100 0.397004 O\n",
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],
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"updated_at": "2021-11-28T01:38:23.434000Z",
"spacegroup": 5
},
{
"id": "mp-1215900",
"created_at": "2022-09-04T14:47:57.225833Z",
"structure_string": "Y1 Ho1\n1.0\n1.804959 -3.126282 0.000000\n1.804959 3.126282 0.000000\n0.000000 0.000000 5.730850\nY Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.500000 Ho\n",
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"elements": [
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"density": 6.517155379393671,
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"volume": 64.67620491815462,
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"formula_full": "Y1 Ho1",
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},
{
"id": "mp-1181692",
"created_at": "2022-09-04T14:47:57.218981Z",
"structure_string": "Na16 W8 O48\n1.0\n10.534312 0.000000 0.000000\n0.000000 8.976202 0.000000\n0.000000 0.000000 11.770786\nNa W O\n16 8 48\ndirect\n0.346110 0.193106 0.364828 Na\n0.846110 0.306894 0.635172 Na\n0.653890 0.693106 0.135172 Na\n0.153890 0.806894 0.864828 Na\n0.653890 0.806894 0.635172 Na\n0.153890 0.693106 0.364828 Na\n0.346110 0.306894 0.864828 Na\n0.846110 0.193106 0.135172 Na\n0.947628 0.636701 0.686725 Na\n0.447628 0.863299 0.313275 Na\n0.052372 0.136701 0.813275 Na\n0.552372 0.363299 0.186725 Na\n0.052372 0.363299 0.313275 Na\n0.552372 0.136701 0.686725 Na\n0.947628 0.863299 0.186725 Na\n0.447628 0.636701 0.813275 Na\n0.709425 0.115327 0.392681 W\n0.209425 0.384673 0.607319 W\n0.290575 0.615327 0.107319 W\n0.790575 0.884673 0.892681 W\n0.290575 0.884673 0.607319 W\n0.790575 0.615327 0.392681 W\n0.709425 0.384673 0.892681 W\n0.209425 0.115327 0.107319 W\n0.812164 0.029591 0.285609 O\n0.312164 0.470409 0.714391 O\n0.187836 0.529591 0.214391 O\n0.687836 0.970409 0.785609 O\n0.187836 0.970409 0.714391 O\n0.687836 0.529591 0.285609 O\n0.812164 0.470409 0.785609 O\n0.312164 0.029591 0.214391 O\n0.563680 0.177505 0.326413 O\n0.063680 0.322495 0.673587 O\n0.436320 0.677505 0.173587 O\n0.936320 0.822495 0.826413 O\n0.436320 0.822495 0.673587 O\n0.936320 0.677505 0.326413 O\n0.563680 0.322495 0.826413 O\n0.063680 0.177505 0.173587 O\n0.706639 0.155974 0.545864 O\n0.206639 0.344026 0.454136 O\n0.293361 0.655974 0.954136 O\n0.793361 0.844026 0.045864 O\n0.293361 0.844026 0.454136 O\n0.793361 0.655974 0.545864 O\n0.706639 0.344026 0.045864 O\n0.206639 0.155974 0.954136 O\n0.036344 0.016662 0.460771 O\n0.536344 0.483338 0.539229 O\n0.963656 0.516662 0.039229 O\n0.463656 0.983338 0.960771 O\n0.963656 0.983338 0.539229 O\n0.463656 0.516662 0.460771 O\n0.036344 0.483338 0.960771 O\n0.536344 0.016662 0.039229 O\n0.837825 0.284298 0.366028 O\n0.337825 0.215702 0.633972 O\n0.162175 0.784298 0.133972 O\n0.662175 0.715702 0.866028 O\n0.162175 0.715702 0.633972 O\n0.662175 0.784298 0.366028 O\n0.837825 0.215702 0.866028 O\n0.337825 0.284298 0.133972 O\n0.660630 0.909200 0.448691 O\n0.160630 0.590800 0.551309 O\n0.339370 0.409200 0.051309 O\n0.839370 0.090800 0.948691 O\n0.339370 0.090800 0.551309 O\n0.839370 0.409200 0.448691 O\n0.660630 0.590800 0.948691 O\n0.160630 0.909200 0.051309 O\n",
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"elements": [
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"chemical_system": "Na-O-W",
"density": 3.888724281115874,
"density_atomic": 0.06468867237856428,
"volume": 1113.0233061307727,
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"formula_full": "Na16 W8 O48",
"formula_reduced": "Na2WO6",
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"energy": -462.18221932,
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"updated_at": "2021-11-28T01:38:13.947000Z",
"spacegroup": 61
},
{
"id": "mp-728627",
"created_at": "2022-09-04T14:47:57.277423Z",
"structure_string": "Li10 Bi4 P10 O36\n1.0\n9.533103 0.000000 0.000000\n-1.441347 11.146489 0.000000\n-0.199420 -0.187067 6.784788\nLi Bi P O\n10 4 10 36\ndirect\n0.864264 0.983314 0.043318 Li\n0.135736 0.016686 0.956682 Li\n0.646169 0.179563 0.889559 Li\n0.336823 0.869519 0.775663 Li\n0.403924 0.405977 0.725288 Li\n0.353831 0.820437 0.110441 Li\n0.663177 0.130481 0.224337 Li\n0.596076 0.594023 0.274712 Li\n0.852614 0.337870 0.374513 Li\n0.147386 0.662130 0.625487 Li\n0.937361 0.337710 0.763655 Bi\n0.607349 0.777449 0.634648 Bi\n0.392651 0.222551 0.365352 Bi\n0.062639 0.662290 0.236345 Bi\n0.658756 0.277077 0.578984 P\n0.165350 0.147699 0.579378 P\n0.908323 0.824042 0.732916 P\n0.216389 0.514130 0.932216 P\n0.403594 0.219080 0.005567 P\n0.783611 0.485870 0.067784 P\n0.091677 0.175958 0.267084 P\n0.596406 0.780920 0.994433 P\n0.341244 0.722923 0.421016 P\n0.834650 0.852301 0.420622 P\n0.478641 0.255283 0.886793 O\n0.671628 0.583368 0.974309 O\n0.116033 0.351549 0.915197 O\n0.316529 0.040863 0.974180 O\n0.683471 0.959137 0.025820 O\n0.883967 0.648451 0.084803 O\n0.328372 0.416632 0.025691 O\n0.186745 0.689949 0.026227 O\n0.521359 0.744717 0.113207 O\n0.479258 0.208483 0.153647 O\n0.737729 0.421136 0.204476 O\n0.043701 0.010494 0.158785 O\n0.827953 0.032193 0.330637 O\n0.209689 0.270578 0.234958 O\n0.929089 0.699633 0.391994 O\n0.331141 0.883694 0.307242 O\n0.001268 0.340737 0.278920 O\n0.813255 0.310051 0.973773 O\n0.426185 0.563084 0.370365 O\n0.602726 0.188308 0.432252 O\n0.116151 0.065355 0.415891 O\n0.214390 0.637260 0.436321 O\n0.785610 0.362740 0.563679 O\n0.883849 0.934645 0.584109 O\n0.397274 0.811692 0.567748 O\n0.573815 0.436916 0.629635 O\n0.288966 0.249191 0.574328 O\n0.998732 0.659263 0.721080 O\n0.668859 0.116306 0.692758 O\n0.070911 0.300367 0.608006 O\n0.790311 0.729422 0.765042 O\n0.172047 0.967807 0.669363 O\n0.956299 0.989506 0.841215 O\n0.262271 0.578864 0.795524 O\n0.520742 0.791517 0.846353 O\n0.711034 0.750809 0.425672 O\n",
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"elements": [
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],
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"density": 4.125224336508162,
"density_atomic": 0.08322285131519237,
"volume": 720.9558318635374,
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"formula_full": "Li10 Bi4 P10 O36",
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"spacegroup": 2
},
{
"id": "mp-1227033",
"created_at": "2022-09-04T14:47:57.643096Z",
"structure_string": "Ca1 Sn1 Hg1\n1.0\n2.495426 -4.322205 0.000000\n2.495426 4.322205 0.000000\n0.000000 0.000000 3.806907\nCa Sn Hg\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Hg\n",
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{
"id": "mp-771159",
"created_at": "2022-09-04T14:47:57.646663Z",
"structure_string": "Li4 V6 W2 O16\n1.0\n3.056387 -5.300791 -0.005259\n9.139943 5.283994 0.174704\n0.073577 -3.486375 4.926867\nLi V W O\n4 6 2 16\ndirect\n0.932452 0.194042 0.136397 Li\n0.433293 0.693891 0.133671 Li\n0.566688 0.306124 0.866357 Li\n0.067535 0.805971 0.863620 Li\n0.999937 0.000084 0.500262 V\n0.500176 0.999930 0.499819 V\n0.999870 0.500017 0.000117 V\n0.500110 0.499944 0.499858 V\n0.999924 0.499931 0.499931 V\n0.500123 0.999992 0.999826 V\n0.750055 0.749461 0.496352 W\n0.249947 0.250534 0.503653 W\n0.863398 0.399157 0.273306 O\n0.362063 0.899385 0.275374 O\n0.637919 0.100637 0.724657 O\n0.136597 0.600835 0.726683 O\n0.642413 0.627770 0.716969 O\n0.139945 0.127972 0.720506 O\n0.639156 0.622967 0.264345 O\n0.145730 0.122555 0.263117 O\n0.094470 0.621377 0.258776 O\n0.591969 0.122762 0.263186 O\n0.408038 0.877243 0.736834 O\n0.905498 0.378633 0.741254 O\n0.854275 0.877455 0.736886 O\n0.360809 0.377048 0.735684 O\n0.860019 0.872044 0.279525 O\n0.357590 0.372237 0.283034 O\n",
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{
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"created_at": "2022-09-04T14:47:57.679562Z",
"structure_string": "Mg12 Co2 Si2\n1.0\n4.717342 0.000000 0.000000\n0.000000 6.017891 0.000000\n0.000000 0.000000 10.330003\nMg Co Si\n12 2 2\ndirect\n0.500000 0.248854 0.583833 Mg\n0.500000 0.751146 0.583833 Mg\n0.000000 0.258249 0.411658 Mg\n0.000000 0.741751 0.411658 Mg\n0.000000 0.000000 0.674988 Mg\n0.000000 0.000000 0.169581 Mg\n0.500000 0.748854 0.083833 Mg\n0.500000 0.251146 0.083833 Mg\n0.000000 0.758249 0.911658 Mg\n0.000000 0.241751 0.911658 Mg\n0.000000 0.500000 0.174988 Mg\n0.000000 0.500000 0.669581 Mg\n0.500000 0.000000 0.833311 Co\n0.500000 0.500000 0.333311 Co\n0.500000 0.000000 0.331141 Si\n0.500000 0.500000 0.831141 Si\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.637003908187655,
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"formula_full": "Mg12 Co2 Si2",
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},
{
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{
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{
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"structure_string": "Li6 Ga14\n1.0\n6.319155 -4.286670 0.000000\n6.319155 4.286670 0.000000\n3.411244 0.000000 6.831593\nLi Ga\n6 14\ndirect\n0.881202 0.470775 0.881202 Li\n0.470775 0.881202 0.881202 Li\n0.529225 0.118798 0.118798 Li\n0.881202 0.881202 0.470775 Li\n0.118798 0.118798 0.529225 Li\n0.118798 0.529225 0.118798 Li\n0.490518 0.175089 0.490518 Ga\n0.703957 0.178535 0.703957 Ga\n0.296043 0.296043 0.821465 Ga\n0.509482 0.824911 0.509482 Ga\n0.703957 0.703957 0.178535 Ga\n0.824911 0.509482 0.509482 Ga\n0.296043 0.821465 0.296043 Ga\n0.075918 0.075918 0.075918 Ga\n0.509482 0.509482 0.824911 Ga\n0.821465 0.296043 0.296043 Ga\n0.175089 0.490518 0.490518 Ga\n0.178535 0.703957 0.703957 Ga\n0.490518 0.490518 0.175089 Ga\n0.924082 0.924082 0.924082 Ga\n",
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{
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"structure_string": "Mn12 O7 F17\n1.0\n4.831847 0.000000 0.000000\n0.215481 5.819783 0.000000\n0.247260 0.165763 15.755820\nMn O F\n12 7 17\ndirect\n0.957259 0.164449 0.588627 Mn\n0.005519 0.832997 0.753908 Mn\n0.044161 0.185477 0.921428 Mn\n0.945620 0.159584 0.247106 Mn\n0.004393 0.855032 0.412110 Mn\n0.970379 0.845149 0.087976 Mn\n0.527937 0.324202 0.418528 Mn\n0.492771 0.361256 0.083887 Mn\n0.510615 0.341483 0.749109 Mn\n0.480234 0.639219 0.912536 Mn\n0.501084 0.646205 0.579466 Mn\n0.532437 0.655618 0.246826 Mn\n0.766105 0.121507 0.694978 O\n0.792137 0.113707 0.359511 O\n0.767406 0.883095 0.198153 O\n0.708484 0.369917 0.528087 O\n0.709268 0.400114 0.186229 O\n0.300012 0.399643 0.977182 O\n0.291566 0.588396 0.807934 O\n0.759853 0.131267 0.030036 F\n0.753456 0.864028 0.865756 F\n0.763046 0.877323 0.522318 F\n0.755306 0.367739 0.852789 F\n0.736466 0.614220 0.691026 F\n0.747923 0.611174 0.362520 F\n0.720770 0.631368 0.017389 F\n0.262287 0.391107 0.644938 F\n0.267463 0.612445 0.465601 F\n0.257436 0.615324 0.137615 F\n0.296591 0.388423 0.308601 F\n0.253666 0.094806 0.806533 F\n0.209761 0.120730 0.482130 F\n0.216877 0.890960 0.632867 F\n0.221778 0.891335 0.979889 F\n0.206538 0.130947 0.142614 F\n0.263396 0.879755 0.303801 F\n",
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{
"id": "mp-568580",
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"structure_string": "Na40 Ga24 Sn12\n1.0\n14.641476 0.000000 0.000000\n0.000000 14.641476 0.000000\n0.000000 0.000000 9.042638\nNa Ga Sn\n40 24 12\ndirect\n0.506693 0.776274 0.307359 Na\n0.589861 0.589861 0.500000 Na\n0.633479 0.815049 0.000000 Na\n0.184951 0.366521 0.000000 Na\n0.506693 0.776274 0.692641 Na\n0.493307 0.223726 0.692641 Na\n0.815049 0.633479 0.000000 Na\n0.264153 0.735847 0.184170 Na\n0.223726 0.493307 0.692641 Na\n0.866521 0.315049 0.500000 Na\n0.089861 0.910139 0.000000 Na\n0.735847 0.264153 0.815830 Na\n0.764153 0.764153 0.684170 Na\n0.276274 0.993307 0.807359 Na\n0.993307 0.276274 0.192641 Na\n0.133479 0.684951 0.500000 Na\n0.264153 0.735847 0.815830 Na\n0.776274 0.506693 0.692641 Na\n0.223726 0.493307 0.307359 Na\n0.006693 0.723726 0.807359 Na\n0.410139 0.410139 0.500000 Na\n0.235847 0.235847 0.315830 Na\n0.366521 0.184951 0.000000 Na\n0.500000 0.000000 0.250000 Na\n0.993307 0.276274 0.807359 Na\n0.776274 0.506693 0.307359 Na\n0.276274 0.993307 0.192641 Na\n0.723726 0.006693 0.192641 Na\n0.735847 0.264153 0.184170 Na\n0.493307 0.223726 0.307359 Na\n0.723726 0.006693 0.807359 Na\n0.684951 0.133479 0.500000 Na\n0.315049 0.866521 0.500000 Na\n0.764153 0.764153 0.315830 Na\n0.910139 0.089861 0.000000 Na\n0.500000 0.000000 0.750000 Na\n0.235847 0.235847 0.684170 Na\n0.006693 0.723726 0.192641 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Na\n0.065390 0.065390 0.259586 Ga\n0.610484 0.610484 0.150935 Ga\n0.110484 0.889516 0.650935 Ga\n0.434610 0.565390 0.759586 Ga\n0.389516 0.389516 0.849065 Ga\n0.110484 0.889516 0.349065 Ga\n0.824731 0.958218 0.500000 Ga\n0.041782 0.175269 0.500000 Ga\n0.541782 0.324731 0.000000 Ga\n0.434610 0.565390 0.240414 Ga\n0.389516 0.389516 0.150935 Ga\n0.889516 0.110484 0.650935 Ga\n0.324731 0.541782 0.000000 Ga\n0.175269 0.041782 0.500000 Ga\n0.675269 0.458218 0.000000 Ga\n0.934610 0.934610 0.740414 Ga\n0.934610 0.934610 0.259586 Ga\n0.565390 0.434610 0.759586 Ga\n0.889516 0.110484 0.349065 Ga\n0.458218 0.675269 0.000000 Ga\n0.958218 0.824731 0.500000 Ga\n0.565390 0.434610 0.240414 Ga\n0.065390 0.065390 0.740414 Ga\n0.610484 0.610484 0.849065 Ga\n0.085074 0.359220 0.500000 Sn\n0.414926 0.859220 0.000000 Sn\n0.142095 0.142095 0.000000 Sn\n0.359220 0.085074 0.500000 Sn\n0.585074 0.140780 0.000000 Sn\n0.857905 0.857905 0.000000 Sn\n0.859220 0.414926 0.000000 Sn\n0.914926 0.640780 0.500000 Sn\n0.642095 0.357905 0.500000 Sn\n0.357905 0.642095 0.500000 Sn\n0.140780 0.585074 0.000000 Sn\n0.640780 0.914926 0.500000 Sn\n",
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}
]
}