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"results": [
{
"id": "mp-26105",
"created_at": "2022-09-04T14:48:28.522349Z",
"structure_string": "Li12 Mo8 P12 O48\n1.0\n8.946188 0.000000 0.000000\n0.000000 8.962348 0.000000\n0.000000 8.933606 12.544338\nLi Mo P O\n12 8 12 48\ndirect\n0.296228 0.691192 0.243789 Li\n0.902210 0.606807 0.306772 Li\n0.231195 0.973470 0.822012 Li\n0.731195 0.026530 0.677988 Li\n0.402210 0.393193 0.193228 Li\n0.796228 0.308808 0.256211 Li\n0.203772 0.691192 0.743789 Li\n0.597790 0.606807 0.806772 Li\n0.268805 0.973470 0.322012 Li\n0.768805 0.026530 0.177988 Li\n0.097790 0.393193 0.693228 Li\n0.703772 0.308808 0.756211 Li\n0.546779 0.862560 0.888529 Mo\n0.960245 0.636276 0.111781 Mo\n0.460245 0.363724 0.388219 Mo\n0.046779 0.137440 0.611471 Mo\n0.953221 0.862560 0.388529 Mo\n0.539755 0.636276 0.611781 Mo\n0.039755 0.363724 0.888219 Mo\n0.453221 0.137440 0.111471 Mo\n0.751953 0.449274 0.508815 P\n0.608760 0.746406 0.151409 P\n0.903426 0.048816 0.848931 P\n0.403426 0.951184 0.651069 P\n0.108760 0.253594 0.348591 P\n0.251953 0.550726 0.991185 P\n0.748047 0.449274 0.008815 P\n0.891240 0.746406 0.651409 P\n0.596574 0.048816 0.348931 P\n0.096574 0.951184 0.151069 P\n0.391240 0.253594 0.848591 P\n0.248047 0.550726 0.491185 P\n0.136088 0.395221 0.567172 O\n0.305788 0.531516 0.402924 O\n0.410414 0.102301 0.829630 O\n0.109544 0.771413 0.157261 O\n0.629063 0.459189 0.437237 O\n0.769028 0.666371 0.190813 O\n0.941332 0.880945 0.958083 O\n0.589413 0.820536 0.035068 O\n0.747872 0.033140 0.807969 O\n0.029416 0.085023 0.768248 O\n0.830264 0.259646 0.567599 O\n0.485439 0.595631 0.219113 O\n0.985439 0.404369 0.280887 O\n0.330264 0.740354 0.932401 O\n0.529416 0.914977 0.731752 O\n0.247872 0.966860 0.692031 O\n0.441332 0.119055 0.541917 O\n0.089413 0.179464 0.464932 O\n0.269028 0.333629 0.309187 O\n0.129063 0.540811 0.062763 O\n0.910414 0.897699 0.670370 O\n0.609544 0.228587 0.342739 O\n0.805788 0.468484 0.097076 O\n0.636088 0.604779 0.932828 O\n0.363912 0.395221 0.067172 O\n0.194212 0.531516 0.902924 O\n0.390456 0.771413 0.657261 O\n0.089586 0.102301 0.329630 O\n0.870937 0.459189 0.937237 O\n0.730972 0.666371 0.690813 O\n0.910587 0.820536 0.535068 O\n0.558668 0.880945 0.458083 O\n0.752128 0.033140 0.307969 O\n0.470584 0.085023 0.268248 O\n0.669736 0.259646 0.067599 O\n0.014561 0.595631 0.719113 O\n0.514561 0.404369 0.780887 O\n0.169736 0.740354 0.432401 O\n0.970584 0.914977 0.231752 O\n0.252128 0.966860 0.192031 O\n0.410587 0.179464 0.964932 O\n0.058668 0.119055 0.041917 O\n0.230972 0.333629 0.809187 O\n0.370937 0.540811 0.562763 O\n0.890456 0.228587 0.842739 O\n0.589586 0.897699 0.170370 O\n0.694212 0.468484 0.597076 O\n0.863912 0.604779 0.432828 O\n",
"nsites": 80,
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"elements": [
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"Mo",
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],
"chemical_system": "Li-Mo-O-P",
"density": 3.286221264771284,
"density_atomic": 0.07953941931888141,
"volume": 1005.7905964748383,
"volume_molar": 7.571265683819796,
"formula_full": "Li12 Mo8 P12 O48",
"formula_reduced": "Li3Mo2(PO4)3",
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"energy": -617.04346313,
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"updated_at": "2021-11-28T01:39:49.191000Z",
"spacegroup": 14
},
{
"id": "mp-642821",
"created_at": "2022-09-04T14:48:28.527501Z",
"structure_string": "K6 H10 Pt2\n1.0\n7.458556 0.000000 0.000000\n0.000000 7.458556 0.000000\n0.000000 0.000000 5.780245\nK H Pt\n6 10 2\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.185230 0.685230 0.500000 K\n0.814770 0.314770 0.500000 K\n0.685230 0.814770 0.500000 K\n0.314770 0.185230 0.500000 K\n0.500000 0.500000 0.500000 H\n0.000000 0.000000 0.500000 H\n0.613242 0.113242 0.799945 H\n0.386758 0.886758 0.799945 H\n0.113242 0.386758 0.799945 H\n0.886758 0.613242 0.799945 H\n0.386758 0.886758 0.200055 H\n0.613242 0.113242 0.200055 H\n0.886758 0.613242 0.200055 H\n0.113242 0.386758 0.200055 H\n0.500000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n",
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"elements": [
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"H",
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],
"chemical_system": "H-K-Pt",
"density": 3.2783529527210495,
"density_atomic": 0.05597791891893983,
"volume": 321.5553623217993,
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"formula_full": "K6 H10 Pt2",
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"updated_at": "2021-11-28T01:39:45.603000Z",
"spacegroup": 127
},
{
"id": "mp-1245589",
"created_at": "2022-09-04T14:48:28.531114Z",
"structure_string": "Mg2 Pb1 N2\n1.0\n3.626862 -0.000001 -0.000004\n-1.813433 3.140957 0.000000\n-0.000005 -0.000003 6.565892\nMg Pb N\n2 1 2\ndirect\n0.666668 0.333334 0.138776 Mg\n0.333332 0.666666 0.861224 Mg\n0.000000 0.000000 0.500000 Pb\n0.666665 0.333332 0.797455 N\n0.333335 0.666668 0.202545 N\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.301016368899969,
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"formula_full": "Mg2 Pb1 N2",
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"updated_at": "2021-11-28T01:39:43.440000Z",
"spacegroup": 164
},
{
"id": "mp-776758",
"created_at": "2022-09-04T14:48:28.534979Z",
"structure_string": "Li8 Fe12 F32\n1.0\n-5.483507 5.483507 5.040674\n5.483507 -5.483507 5.040674\n5.483507 5.483507 -5.040674\nLi Fe F\n8 12 32\ndirect\n0.336736 0.438783 0.285675 Li\n0.096892 0.698939 0.785675 Li\n0.948939 0.663264 0.102047 Li\n0.688783 0.903108 0.602047 Li\n0.301061 0.086736 0.397953 Li\n0.561217 0.846892 0.897953 Li\n0.913264 0.311217 0.214325 Li\n0.153108 0.051061 0.714325 Li\n0.784238 0.613383 0.440381 Fe\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.656143 0.215762 0.829145 Fe\n0.863383 0.923002 0.329145 Fe\n0.173002 0.343857 0.559619 Fe\n0.076998 0.406143 0.940381 Fe\n0.386617 0.826998 0.170855 Fe\n0.593857 0.534238 0.670855 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.465762 0.136617 0.059619 Fe\n0.814479 0.661020 0.245244 F\n0.245475 0.835113 0.328033 F\n0.742919 0.832558 0.828033 F\n0.764865 0.366217 0.336451 F\n0.819235 0.564479 0.653459 F\n0.082558 0.754525 0.589639 F\n0.164887 0.492919 0.410361 F\n0.678414 0.514865 0.898648 F\n0.633783 0.970233 0.398648 F\n0.911020 0.165776 0.346541 F\n0.029767 0.428414 0.663549 F\n0.572711 0.629971 0.483701 F\n0.103730 0.660990 0.983701 F\n0.834224 0.180765 0.745244 F\n0.339010 0.322711 0.442740 F\n0.370029 0.853730 0.942740 F\n0.879971 0.896270 0.557260 F\n0.910990 0.427289 0.057260 F\n0.415776 0.569235 0.754756 F\n0.146270 0.089010 0.516299 F\n0.677289 0.120029 0.016299 F\n0.220233 0.321586 0.836451 F\n0.338980 0.584224 0.153459 F\n0.571586 0.235135 0.601352 F\n0.616217 0.779767 0.101352 F\n0.085113 0.257081 0.089639 F\n0.167442 0.995475 0.910361 F\n0.430765 0.185521 0.846541 F\n0.485135 0.383783 0.163549 F\n0.507081 0.917442 0.671967 F\n0.004525 0.914887 0.171967 F\n0.435521 0.088980 0.254756 F\n",
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"elements": [
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"Fe",
"F"
],
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"density": 3.6527065385601354,
"density_atomic": 0.0857704990620797,
"volume": 606.2690618409833,
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"formula_full": "Li8 Fe12 F32",
"formula_reduced": "Li2Fe3F8",
"formula_anonymous": "A2B3C8",
"energy": -318.71057924,
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"updated_at": "2021-11-28T01:39:38.203000Z",
"spacegroup": 88
},
{
"id": "mp-1111241",
"created_at": "2022-09-04T14:48:28.538856Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n0.000000 5.528849 5.528849\n5.528849 0.000000 5.528849\n5.528849 5.528849 0.000000\nK Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.759665 0.240335 0.240335 Br\n0.240335 0.240335 0.759665 Br\n0.240335 0.759665 0.759665 Br\n0.240335 0.759665 0.240335 Br\n0.759665 0.240335 0.759665 Br\n0.759665 0.759665 0.240335 Br\n",
"nsites": 10,
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"elements": [
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"Br"
],
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"density": 3.8199553491166234,
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"volume": 338.0136062584475,
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"formula_full": "K2 Na1 Au1 Br6",
"formula_reduced": "K2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.55772554,
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{
"id": "mp-758323",
"created_at": "2022-09-04T14:48:28.543095Z",
"structure_string": "Li2 Ti3 Co1 P6 O24\n1.0\n7.513244 -4.281137 0.000000\n7.513244 4.281137 0.000000\n5.073800 0.000000 7.002394\nLi Ti Co P O\n2 3 1 6 24\ndirect\n0.010169 0.010169 0.010169 Li\n0.500105 0.500105 0.500105 Li\n0.643684 0.643684 0.643684 Ti\n0.858761 0.858761 0.858761 Ti\n0.357284 0.357284 0.357284 Ti\n0.142646 0.142646 0.142646 Co\n0.530332 0.962168 0.251008 P\n0.251008 0.530332 0.962168 P\n0.962168 0.251008 0.530332 P\n0.041025 0.758035 0.455178 P\n0.758035 0.455178 0.041025 P\n0.455178 0.041025 0.758035 P\n0.297566 0.498257 0.128610 O\n0.128610 0.297566 0.498257 O\n0.498257 0.128610 0.297566 O\n0.720838 0.943267 0.081405 O\n0.557326 0.772117 0.420311 O\n0.362576 0.986368 0.214841 O\n0.081405 0.720838 0.943267 O\n0.420311 0.557326 0.772117 O\n0.772117 0.420311 0.557326 O\n0.003046 0.801448 0.625114 O\n0.053888 0.928333 0.265790 O\n0.801448 0.625114 0.003046 O\n0.214841 0.362576 0.986368 O\n0.943267 0.081405 0.720838 O\n0.986368 0.214841 0.362576 O\n0.230132 0.587566 0.435060 O\n0.587566 0.435060 0.230132 O\n0.928333 0.265790 0.053888 O\n0.625114 0.003046 0.801448 O\n0.435060 0.230132 0.587566 O\n0.265790 0.053888 0.928333 O\n0.494224 0.872719 0.708807 O\n0.872719 0.708807 0.494224 O\n0.708807 0.494224 0.872719 O\n",
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"density": 2.898300998157163,
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"formula_full": "Li2 Ti3 Co1 P6 O24",
"formula_reduced": "Li2Ti3Co(PO4)6",
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"energy": -285.56685301,
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"updated_at": "2021-11-28T01:39:40.909000Z",
"spacegroup": 146
},
{
"id": "mp-1025508",
"created_at": "2022-09-04T14:48:28.685942Z",
"structure_string": "Er2 Ga4 Ni2\n1.0\n2.048219 -5.001628 0.000000\n2.048219 5.001628 0.000000\n0.000000 0.000000 6.662919\nEr Ga Ni\n2 4 2\ndirect\n0.571120 0.428880 0.250000 Er\n0.428880 0.571120 0.750000 Er\n0.857227 0.142773 0.054467 Ga\n0.142773 0.857227 0.945533 Ga\n0.142773 0.857227 0.554467 Ga\n0.857227 0.142773 0.445533 Ga\n0.286224 0.713776 0.250000 Ni\n0.713776 0.286224 0.750000 Ni\n",
"nsites": 8,
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"density": 8.889215340120904,
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"volume": 136.51560792651034,
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"formula_full": "Er2 Ga4 Ni2",
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{
"id": "mp-1650315",
"created_at": "2022-09-04T14:48:28.539674Z",
"structure_string": "Li16 Fe4 B8 O24\n1.0\n-0.022727 -0.018868 3.324967\n9.382848 7.961908 -0.106983\n-9.367541 7.943539 0.020890\nLi Fe B O\n16 4 8 24\ndirect\n0.495294 0.113505 0.055306 Li\n0.505446 0.613637 0.556316 Li\n0.990095 0.555353 0.113748 Li\n0.008360 0.055723 0.613167 Li\n0.991770 0.444214 0.886790 Li\n0.010001 0.944517 0.386213 Li\n0.494710 0.886347 0.943598 Li\n0.504264 0.386597 0.444751 Li\n0.992767 0.103436 0.898036 Li\n0.004371 0.603064 0.399100 Li\n0.481996 0.398502 0.103402 Li\n0.503612 0.898881 0.602566 Li\n0.496681 0.601113 0.897439 Li\n0.517849 0.101307 0.396676 Li\n0.995686 0.897006 0.100782 Li\n0.006876 0.396561 0.602013 Li\n0.000382 0.750134 0.749931 Fe\n0.500305 0.750124 0.249979 Fe\n0.999646 0.250010 0.250262 Fe\n0.500215 0.249902 0.749992 Fe\n0.486451 0.481375 0.282774 B\n0.488430 0.981380 0.781963 B\n0.983715 0.282510 0.981513 B\n0.013415 0.782262 0.481371 B\n0.986880 0.717777 0.018632 B\n0.016073 0.217453 0.518458 B\n0.511520 0.518661 0.718031 B\n0.513421 0.018593 0.217253 B\n0.474687 0.364423 0.252724 O\n0.477487 0.864534 0.751673 O\n0.970321 0.252580 0.864323 O\n0.025644 0.751785 0.364296 O\n0.974810 0.748335 0.135703 O\n0.029615 0.247401 0.635613 O\n0.522798 0.635517 0.748301 O\n0.524683 0.135511 0.247439 O\n0.004001 0.200356 0.046253 O\n0.012784 0.700539 0.546985 O\n0.485586 0.546292 0.200406 O\n0.505423 0.046488 0.699662 O\n0.494689 0.453555 0.800317 O\n0.514553 0.953579 0.299577 O\n0.987374 0.799494 0.952980 O\n0.995501 0.299604 0.453679 O\n0.500289 0.526396 0.392103 O\n0.486728 0.026426 0.891269 O\n0.981111 0.391537 0.026786 O\n0.001876 0.891483 0.525959 O\n0.998398 0.608556 0.974084 O\n0.018767 0.108423 0.473188 O\n0.512875 0.473585 0.608703 O\n0.499771 0.973658 0.107914 O\n",
"nsites": 52,
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"elements": [
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"formula_full": "Li16 Fe4 B8 O24",
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"energy": -363.29412113,
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"formula_full": "Rb24 Cu4 Ag4 O16",
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{
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"structure_string": "Li4 Ti3 Mn3 Fe2 O16\n1.0\n5.887028 0.000000 0.000000\n-2.887610 5.190148 0.000000\n-0.016958 -0.091848 9.591379\nLi Ti Mn Fe O\n4 3 3 2 16\ndirect\n0.326477 0.667720 0.890251 Li\n0.001966 0.002381 0.995447 Li\n0.005856 0.994970 0.496719 Li\n0.667311 0.328889 0.395286 Li\n0.168715 0.339864 0.216328 Ti\n0.659257 0.832572 0.215669 Ti\n0.831904 0.171900 0.714066 Ti\n0.166973 0.829139 0.212151 Mn\n0.341003 0.168945 0.713792 Mn\n0.827071 0.660064 0.715596 Mn\n0.335836 0.669291 0.492599 Fe\n0.657975 0.338307 0.989669 Fe\n0.164624 0.323302 0.602032 O\n0.487763 0.519524 0.331785 O\n0.327797 0.668648 0.106060 O\n0.004842 0.996962 0.308770 O\n0.016676 0.020180 0.810273 O\n0.679746 0.834810 0.603532 O\n0.040811 0.502168 0.345587 O\n0.493180 0.958378 0.341046 O\n0.832035 0.164981 0.104582 O\n0.179492 0.849218 0.601551 O\n0.520889 0.039249 0.835837 O\n0.956101 0.481220 0.835082 O\n0.654616 0.309813 0.603012 O\n0.326789 0.183480 0.098358 O\n0.500945 0.467101 0.836722 O\n0.823049 0.676620 0.096037 O\n",
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"structure_string": "Dy5 Sn11\n1.0\n-2.194457 2.235459 21.458008\n2.194457 -2.235459 21.458008\n2.194457 2.235459 -21.458008\nDy Sn\n5 11\ndirect\n0.307584 0.807584 0.500000 Dy\n0.616952 0.616952 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.692416 0.192416 0.500000 Dy\n0.383048 0.383048 0.000000 Dy\n0.939965 0.439965 0.500000 Sn\n0.131448 0.131448 0.000000 Sn\n0.249608 0.249608 0.000000 Sn\n0.060035 0.560035 0.500000 Sn\n0.820154 0.320154 0.500000 Sn\n0.750392 0.750392 0.000000 Sn\n0.559234 0.059234 0.500000 Sn\n0.440766 0.940766 0.500000 Sn\n0.868552 0.868552 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.179846 0.679846 0.500000 Sn\n",
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}