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"results": [
{
"id": "mp-667344",
"created_at": "2022-09-04T14:47:46.987401Z",
"structure_string": "Rb18 Nb30 P12 O114\n1.0\n18.622291 -6.607866 0.000000\n18.622291 6.607866 0.000000\n16.277580 0.000000 11.202410\nRb Nb P O\n18 30 12 114\ndirect\n0.681381 0.328564 0.026270 Rb\n0.077357 0.750000 0.422643 Rb\n0.473730 0.171436 0.818619 Rb\n0.922643 0.250000 0.577357 Rb\n0.181381 0.526270 0.828564 Rb\n0.250000 0.577357 0.922643 Rb\n0.171436 0.818619 0.473730 Rb\n0.973730 0.318619 0.671436 Rb\n0.328564 0.026270 0.681381 Rb\n0.818619 0.473730 0.171436 Rb\n0.526270 0.828564 0.181381 Rb\n0.026270 0.681381 0.328564 Rb\n0.828564 0.181381 0.526270 Rb\n0.577357 0.922643 0.250000 Rb\n0.671436 0.973730 0.318619 Rb\n0.422643 0.077357 0.750000 Rb\n0.318619 0.671436 0.973730 Rb\n0.750000 0.422643 0.077357 Rb\n0.267277 0.132707 0.454862 Nb\n0.275854 0.466238 0.594946 Nb\n0.466238 0.594946 0.275854 Nb\n0.033762 0.224146 0.905054 Nb\n0.594946 0.275854 0.466238 Nb\n0.533762 0.405054 0.724146 Nb\n0.724146 0.533762 0.405054 Nb\n0.224146 0.905054 0.033762 Nb\n0.775854 0.094946 0.966238 Nb\n0.454862 0.267277 0.132707 Nb\n0.954862 0.632707 0.767277 Nb\n0.340771 0.340771 0.340771 Nb\n0.867293 0.545138 0.732723 Nb\n0.500000 0.500000 0.500000 Nb\n0.159229 0.159229 0.159229 Nb\n0.367293 0.232723 0.045138 Nb\n0.045138 0.367293 0.232723 Nb\n0.132707 0.454862 0.267277 Nb\n0.732723 0.867293 0.545138 Nb\n0.840771 0.840771 0.840771 Nb\n0.094946 0.966238 0.775854 Nb\n0.545138 0.732723 0.867293 Nb\n0.767277 0.954862 0.632707 Nb\n0.232723 0.045138 0.367293 Nb\n0.966238 0.775854 0.094946 Nb\n0.905054 0.033762 0.224146 Nb\n0.659229 0.659229 0.659229 Nb\n0.000000 0.000000 0.000000 Nb\n0.632707 0.767277 0.954862 Nb\n0.405054 0.724146 0.533762 Nb\n0.401192 0.836945 0.615963 P\n0.336945 0.901192 0.115963 P\n0.163055 0.384037 0.598808 P\n0.884037 0.663055 0.098808 P\n0.901192 0.115963 0.336945 P\n0.115963 0.336945 0.901192 P\n0.663055 0.098808 0.884037 P\n0.836945 0.615963 0.401192 P\n0.615963 0.401192 0.836945 P\n0.384037 0.598808 0.163055 P\n0.098808 0.884037 0.663055 P\n0.598808 0.163055 0.384037 P\n0.851828 0.711593 0.592700 O\n0.647075 0.503446 0.752268 O\n0.648172 0.907300 0.788407 O\n0.477016 0.600971 0.037090 O\n0.060652 0.439348 0.250000 O\n0.183193 0.070643 0.926717 O\n0.429357 0.316807 0.573283 O\n0.083562 0.939826 0.703027 O\n0.397910 0.646681 0.516670 O\n0.570643 0.683193 0.426717 O\n0.288407 0.407300 0.148172 O\n0.351828 0.092700 0.211593 O\n0.767877 0.659725 0.217758 O\n0.267877 0.717758 0.159725 O\n0.483330 0.602090 0.353319 O\n0.916438 0.060174 0.296973 O\n0.897910 0.016670 0.146681 O\n0.297107 0.184512 0.053354 O\n0.583562 0.203027 0.439826 O\n0.703027 0.083562 0.939826 O\n0.573283 0.429357 0.316807 O\n0.037090 0.477016 0.600971 O\n0.816807 0.929357 0.073283 O\n0.796973 0.560174 0.416438 O\n0.202893 0.446646 0.315488 O\n0.353319 0.483330 0.602090 O\n0.090597 0.623689 0.151212 O\n0.426717 0.570643 0.683193 O\n0.560652 0.750000 0.939348 O\n0.100971 0.977016 0.537090 O\n0.147075 0.252268 0.003446 O\n0.146681 0.897910 0.016670 O\n0.996554 0.852925 0.747732 O\n0.376311 0.848788 0.909403 O\n0.252268 0.003446 0.147075 O\n0.876311 0.409403 0.348788 O\n0.211593 0.351828 0.092700 O\n0.747732 0.996554 0.852925 O\n0.496554 0.247732 0.352925 O\n0.788407 0.648172 0.907300 O\n0.815488 0.946646 0.702893 O\n0.092700 0.211593 0.351828 O\n0.909403 0.376311 0.848788 O\n0.602090 0.353319 0.483330 O\n0.296973 0.916438 0.060174 O\n0.232123 0.340275 0.782242 O\n0.340275 0.782242 0.232123 O\n0.446646 0.315488 0.202893 O\n0.899029 0.022984 0.462910 O\n0.148172 0.288407 0.407300 O\n0.683193 0.426717 0.570643 O\n0.553354 0.684512 0.797107 O\n0.752268 0.647075 0.503446 O\n0.560174 0.416438 0.796973 O\n0.016670 0.146681 0.897910 O\n0.516670 0.397910 0.646681 O\n0.983330 0.853319 0.102090 O\n0.600971 0.037090 0.477016 O\n0.409403 0.348788 0.876311 O\n0.102090 0.983330 0.853319 O\n0.946646 0.702893 0.815488 O\n0.702893 0.815488 0.946646 O\n0.684512 0.797107 0.553354 O\n0.522984 0.399029 0.962910 O\n0.782242 0.232123 0.340275 O\n0.590597 0.651212 0.123689 O\n0.184512 0.053354 0.297107 O\n0.073283 0.816807 0.929357 O\n0.797107 0.553354 0.684512 O\n0.316807 0.573283 0.429357 O\n0.352925 0.496554 0.247732 O\n0.070643 0.926717 0.183193 O\n0.537090 0.100971 0.977016 O\n0.646681 0.516670 0.397910 O\n0.439348 0.250000 0.060652 O\n0.439826 0.583562 0.203027 O\n0.977016 0.537090 0.100971 O\n0.651212 0.123689 0.590597 O\n0.217758 0.767877 0.659725 O\n0.848788 0.909403 0.376311 O\n0.247732 0.352925 0.496554 O\n0.962910 0.522984 0.399029 O\n0.732123 0.282242 0.840275 O\n0.250000 0.060652 0.439348 O\n0.151212 0.090597 0.623689 O\n0.929357 0.073283 0.816807 O\n0.399029 0.962910 0.522984 O\n0.717758 0.159725 0.267877 O\n0.123689 0.590597 0.651212 O\n0.503446 0.752268 0.647075 O\n0.060174 0.296973 0.916438 O\n0.159725 0.267877 0.717758 O\n0.003446 0.147075 0.252268 O\n0.939348 0.560652 0.750000 O\n0.592700 0.851828 0.711593 O\n0.623689 0.151212 0.090597 O\n0.282242 0.840275 0.732123 O\n0.315488 0.202893 0.446646 O\n0.939826 0.703027 0.083562 O\n0.659725 0.217758 0.767877 O\n0.853319 0.102090 0.983330 O\n0.462910 0.899029 0.022984 O\n0.203027 0.439826 0.583562 O\n0.348788 0.876311 0.409403 O\n0.407300 0.148172 0.288407 O\n0.711593 0.592700 0.851828 O\n0.053354 0.297107 0.184512 O\n0.852925 0.747732 0.996554 O\n0.022984 0.462910 0.899029 O\n0.926717 0.183193 0.070643 O\n0.416438 0.796973 0.560174 O\n0.840275 0.732123 0.282242 O\n0.907300 0.788407 0.648172 O\n0.750000 0.939348 0.560652 O\n",
"nsites": 174,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"P",
"O"
],
"chemical_system": "Nb-O-P-Rb",
"density": 3.9277399214724156,
"density_atomic": 0.0631122194113936,
"volume": 2756.993837687602,
"volume_molar": 9.541956876440997,
"formula_full": "Rb18 Nb30 P12 O114",
"formula_reduced": "Rb3Nb5P2O19",
"formula_anonymous": "A2B3C5D19",
"energy": -1458.60265089,
"energy_per_atom": -8.382773855689654,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1380.28465089,
"band_gap": 2.7304,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112226,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.283000Z",
"spacegroup": 167
},
{
"id": "mp-1196283",
"created_at": "2022-09-04T14:41:58.663072Z",
"structure_string": "H24 C142 F8\n1.0\n10.287230 0.024149 -1.679089\n-1.051939 10.049792 -2.737969\n-0.085624 -0.023187 19.279006\nH C F\n24 142 8\ndirect\n0.686292 0.198470 0.543628 H\n0.313708 0.801530 0.456372 H\n0.645977 0.839538 0.367423 H\n0.354023 0.160462 0.632577 H\n0.358984 0.119158 0.364771 H\n0.641016 0.880842 0.635229 H\n0.364634 0.290275 0.495968 H\n0.635366 0.709725 0.504032 H\n0.523725 0.347595 0.549038 H\n0.476275 0.652405 0.450962 H\n0.479032 0.377264 0.462002 H\n0.520968 0.622736 0.537998 H\n0.886035 0.984688 0.465728 H\n0.113965 0.015312 0.534272 H\n0.837556 0.040799 0.551893 H\n0.162444 0.959201 0.448107 H\n0.794813 0.872830 0.498341 H\n0.205187 0.127170 0.501659 H\n0.421756 0.776450 0.281878 H\n0.578244 0.223550 0.718122 H\n0.320276 0.905166 0.273333 H\n0.679724 0.094834 0.726667 H\n0.468899 0.898361 0.239959 H\n0.531101 0.101639 0.760041 H\n0.284316 0.732444 0.978468 C\n0.715684 0.267556 0.021532 C\n0.227696 0.590498 0.960056 C\n0.772304 0.409502 0.039944 C\n0.325092 0.513053 0.927502 C\n0.674908 0.486947 0.072498 C\n0.397521 0.596986 0.894667 C\n0.602479 0.403014 0.105333 C\n0.377823 0.733589 0.928452 C\n0.622177 0.266411 0.071548 C\n0.389035 0.831182 0.892771 C\n0.610965 0.168818 0.107229 C\n0.298200 0.934300 0.895129 C\n0.701800 0.065700 0.104871 C\n0.195357 0.936949 0.932881 C\n0.804643 0.063051 0.067119 C\n0.178461 0.848074 0.980270 C\n0.821539 0.151926 0.019730 C\n0.039561 0.791163 0.959031 C\n0.960439 0.208837 0.040969 C\n0.000507 0.656295 0.945164 C\n0.999493 0.343705 0.054836 C\n0.093770 0.553889 0.943748 C\n0.906230 0.446111 0.056252 C\n0.031292 0.433079 0.887364 C\n0.968708 0.566921 0.112636 C\n0.098576 0.343384 0.842268 C\n0.901424 0.656616 0.157732 C\n0.239555 0.345749 0.849478 C\n0.760445 0.654251 0.150522 C\n0.272283 0.345950 0.779030 C\n0.727717 0.654050 0.220970 C\n0.362862 0.438269 0.767070 C\n0.637138 0.561731 0.232930 C\n0.423566 0.560011 0.823257 C\n0.576434 0.439989 0.176743 C\n0.438987 0.663494 0.786901 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C\n0.230730 0.415663 0.643532 C\n0.769270 0.584337 0.356468 C\n0.341841 0.470651 0.697096 C\n0.658159 0.529349 0.302904 C\n0.390298 0.608554 0.709279 C\n0.609702 0.391446 0.290721 C\n0.326293 0.686423 0.668146 C\n0.673707 0.313577 0.331854 C\n0.308129 0.823004 0.703599 C\n0.691871 0.176996 0.296401 C\n0.180315 0.850131 0.671093 C\n0.819685 0.149869 0.328907 C\n0.104686 0.930156 0.714877 C\n0.895314 0.069844 0.285123 C\n0.965248 0.892449 0.705163 C\n0.034752 0.107551 0.294837 C\n0.929109 0.925448 0.776804 C\n0.070891 0.074552 0.223196 C\n0.836317 0.841233 0.792863 C\n0.163683 0.158767 0.207137 C\n0.775415 0.720869 0.737883 C\n0.224585 0.279131 0.262117 C\n0.759589 0.617541 0.774424 C\n0.240411 0.382459 0.225576 C\n0.776857 0.486211 0.739932 C\n0.223143 0.513789 0.260068 C\n0.810537 0.453127 0.667572 C\n0.189463 0.546873 0.332428 C\n0.900903 0.351968 0.664332 C\n0.099097 0.648032 0.335668 C\n0.004875 0.354893 0.626895 C\n0.995125 0.645107 0.373105 C\n0.023250 0.458865 0.591416 C\n0.976750 0.541134 0.408584 C\n0.162979 0.496345 0.601479 C\n0.837021 0.503655 0.398521 C\n0.210125 0.629458 0.613583 C\n0.789875 0.370542 0.386417 C\n0.119330 0.730348 0.615768 C\n0.880670 0.269652 0.384232 C\n0.984955 0.694145 0.606367 C\n0.015045 0.305855 0.393633 C\n0.906592 0.776476 0.652076 C\n0.093408 0.223524 0.347924 C\n0.809867 0.689233 0.668665 C\n0.190133 0.310767 0.331335 C\n0.827739 0.552966 0.632804 C\n0.172261 0.447034 0.367196 C\n0.935975 0.555999 0.594232 C\n0.064025 0.444001 0.405768 C\n0.272915 0.838770 0.044833 C\n0.727085 0.161230 0.955167 C\n0.333532 0.369599 0.918130 C\n0.666468 0.630401 0.081870 C\n0.517919 0.174338 0.457785 C\n0.482081 0.825662 0.542215 C\n0.633276 0.135481 0.491035 C\n0.366724 0.864519 0.508965 C\n0.681111 0.015372 0.459046 C\n0.318889 0.984628 0.540954 C\n0.610294 0.933922 0.392591 C\n0.389706 0.066078 0.607409 C\n0.494509 0.969681 0.357633 C\n0.505491 0.030319 0.642367 C\n0.449558 0.090493 0.391165 C\n0.550442 0.909507 0.608835 C\n0.468868 0.303965 0.493138 C\n0.531132 0.696035 0.506862 C\n0.806161 0.976541 0.495808 C\n0.193839 0.023459 0.504192 C\n0.422111 0.882860 0.284816 C\n0.577889 0.117140 0.715184 C\n0.225256 0.803283 0.099672 F\n0.774744 0.196717 0.900328 F\n0.373268 0.937115 0.074582 F\n0.626732 0.062885 0.925418 F\n0.291766 0.319792 0.970837 F\n0.708234 0.680207 0.029163 F\n0.454977 0.327721 0.910521 F\n0.545023 0.672279 0.089479 F\n",
"nsites": 174,
"nelements": 3,
"elements": [
"H",
"C",
"F"
],
"chemical_system": "C-F-H",
"density": 1.5689782578095508,
"density_atomic": 0.08737100692213855,
"volume": 1991.5073218174268,
"volume_molar": 6.8926077106638886,
"formula_full": "H24 C142 F8",
"formula_reduced": "H12C71F4",
"formula_anonymous": "A4B12C71",
"energy": -1382.83100208,
"energy_per_atom": -7.9473046096551725,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1379.13500208,
"band_gap": 1.1795,
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"is_magnetic": false,
"total_magnetization": 0.00142,
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"updated_at": "2021-11-28T01:35:36.307000Z",
"spacegroup": 2
},
{
"id": "mp-1194812",
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"formula_full": "Ag4 H144 C60 S12 N24 Cl4",
"formula_reduced": "AgH36C15S3N6Cl",
"formula_anonymous": "ABC3D6E15F36",
"energy": -1364.40809553,
"energy_per_atom": -5.501645546491936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1355.91609553,
"band_gap": 3.459,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0446255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.861000Z",
"spacegroup": 2
}
]
}