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"results": [
{
"id": "mp-1204247",
"created_at": "2022-09-04T14:40:42.333812Z",
"structure_string": "Li16 C64 O16 F144\n1.0\n0.000000 -11.085230 0.000000\n-16.019060 0.000000 4.084797\n-0.002049 0.000000 -16.786588\nLi C O F\n16 64 16 144\ndirect\n0.159572 0.669583 0.371629 Li\n0.659572 0.330417 0.128371 Li\n0.840428 0.330417 0.628371 Li\n0.340428 0.669583 0.871629 Li\n0.935904 0.714803 0.314030 Li\n0.435904 0.285197 0.185970 Li\n0.064096 0.285197 0.685970 Li\n0.564096 0.714803 0.814030 Li\n0.155381 0.769936 0.260221 Li\n0.655381 0.230064 0.239779 Li\n0.844619 0.230064 0.739779 Li\n0.344619 0.769936 0.760221 Li\n0.079161 0.835723 0.422344 Li\n0.579161 0.164277 0.077656 Li\n0.920839 0.164277 0.577656 Li\n0.420839 0.835723 0.922344 Li\n0.807277 0.726657 0.477643 C\n0.307277 0.273343 0.022357 C\n0.192723 0.273343 0.522357 C\n0.692723 0.726657 0.977643 C\n0.968578 0.621449 0.501584 C\n0.468578 0.378551 0.998416 C\n0.031422 0.378551 0.498416 C\n0.531422 0.621449 0.001584 C\n0.991375 0.778594 0.570165 C\n0.491375 0.221406 0.929835 C\n0.008625 0.221406 0.429835 C\n0.508625 0.778594 0.070165 C\n0.086184 0.586379 0.200322 C\n0.586184 0.413621 0.299678 C\n0.913816 0.413621 0.799678 C\n0.413816 0.586379 0.700322 C\n0.103881 0.510368 0.241131 C\n0.603881 0.489632 0.258869 C\n0.896119 0.489632 0.758869 C\n0.396119 0.510368 0.741131 C\n0.962517 0.575740 0.151310 C\n0.462517 0.424260 0.348690 C\n0.037483 0.424260 0.848690 C\n0.537483 0.575740 0.651310 C\n0.349623 0.898570 0.443730 C\n0.849623 0.101430 0.056270 C\n0.650377 0.101430 0.556270 C\n0.150377 0.898570 0.943730 C\n0.385795 0.748678 0.457747 C\n0.885795 0.251322 0.042253 C\n0.614205 0.251322 0.542253 C\n0.114205 0.748678 0.957747 C\n0.434749 0.786384 0.320849 C\n0.934749 0.213616 0.179151 C\n0.565251 0.213616 0.679151 C\n0.065251 0.786384 0.820849 C\n0.058200 0.937948 0.251881 C\n0.558200 0.062052 0.248119 C\n0.941800 0.062052 0.748119 C\n0.441800 0.937948 0.751881 C\n0.870007 0.845667 0.206712 C\n0.370007 0.154333 0.293288 C\n0.129993 0.154333 0.793288 C\n0.629993 0.845667 0.706712 C\n0.876117 0.948274 0.350439 C\n0.376117 0.051726 0.149561 C\n0.123883 0.051726 0.649561 C\n0.623883 0.948274 0.850439 C\n0.946697 0.712925 0.490794 C\n0.446697 0.287075 0.009206 C\n0.053303 0.287075 0.509206 C\n0.553303 0.712925 0.990794 C\n0.193562 0.588753 0.138955 C\n0.693562 0.411247 0.361045 C\n0.806438 0.411247 0.861045 C\n0.306438 0.588753 0.638955 C\n0.345469 0.802741 0.396617 C\n0.845469 0.197259 0.103383 C\n0.654531 0.197259 0.603383 C\n0.154531 0.802741 0.896617 C\n0.953511 0.887219 0.281867 C\n0.453511 0.112781 0.218133 C\n0.046489 0.112781 0.718133 C\n0.546489 0.887219 0.781867 C\n0.009842 0.723859 0.424929 O\n0.509842 0.276141 0.075071 O\n0.990158 0.276141 0.575071 O\n0.490158 0.723859 0.924929 O\n0.084714 0.658693 0.260152 O\n0.584714 0.341307 0.239848 O\n0.915286 0.341307 0.739848 O\n0.415286 0.658693 0.760152 O\n0.231354 0.781263 0.369960 O\n0.731354 0.218737 0.130040 O\n0.768646 0.218737 0.630040 O\n0.268646 0.781263 0.869960 O\n0.003678 0.826676 0.313182 O\n0.503678 0.173324 0.186818 O\n0.996322 0.173324 0.686818 O\n0.496322 0.826676 0.813182 O\n0.778535 0.809048 0.494196 F\n0.278535 0.190952 0.005804 F\n0.221465 0.190952 0.505804 F\n0.721465 0.809048 0.994196 F\n0.733886 0.689850 0.522403 F\n0.233886 0.310150 0.977597 F\n0.266114 0.310150 0.477597 F\n0.766114 0.689850 0.022403 F\n0.779268 0.694408 0.395736 F\n0.279268 0.305592 0.104264 F\n0.220732 0.305592 0.604264 F\n0.720732 0.694408 0.895736 F\n0.087868 0.600769 0.487328 F\n0.587868 0.399231 0.012672 F\n0.912132 0.399231 0.512672 F\n0.412132 0.600769 0.987328 F\n0.904626 0.564805 0.444972 F\n0.404626 0.435195 0.055028 F\n0.095374 0.435195 0.555028 F\n0.595374 0.564805 0.944972 F\n0.940686 0.611006 0.577095 F\n0.440686 0.388994 0.922905 F\n0.059314 0.388994 0.422905 F\n0.559314 0.611006 0.077095 F\n0.005476 0.855018 0.551577 F\n0.505476 0.144982 0.948423 F\n0.994524 0.144982 0.448423 F\n0.494524 0.855018 0.051577 F\n0.101900 0.757387 0.592947 F\n0.601900 0.242613 0.907053 F\n0.898100 0.242613 0.407053 F\n0.398100 0.757387 0.092947 F\n0.917077 0.790327 0.635790 F\n0.417077 0.209673 0.864210 F\n0.082923 0.209673 0.364210 F\n0.582923 0.790327 0.135790 F\n0.000032 0.492062 0.275549 F\n0.500032 0.507938 0.224451 F\n0.999968 0.507938 0.724451 F\n0.499968 0.492062 0.775549 F\n0.145426 0.439567 0.189848 F\n0.645426 0.560433 0.310152 F\n0.854574 0.560433 0.810152 F\n0.354574 0.439567 0.689848 F\n0.185819 0.533158 0.304911 F\n0.685819 0.466842 0.195089 F\n0.814181 0.466842 0.695089 F\n0.314181 0.533158 0.804911 F\n0.937049 0.496486 0.109735 F\n0.437049 0.503514 0.390265 F\n0.062951 0.503514 0.890265 F\n0.562951 0.496486 0.609735 F\n0.869563 0.602545 0.206117 F\n0.369563 0.397455 0.293883 F\n0.130437 0.397455 0.793883 F\n0.630437 0.602545 0.706117 F\n0.959018 0.624443 0.097103 F\n0.459018 0.375557 0.402897 F\n0.040982 0.375557 0.902897 F\n0.540982 0.624443 0.597103 F\n0.199749 0.667269 0.125594 F\n0.699749 0.332731 0.374406 F\n0.800251 0.332731 0.874406 F\n0.300251 0.667269 0.625594 F\n0.183203 0.533744 0.064703 F\n0.683203 0.466256 0.435297 F\n0.816797 0.466256 0.935297 F\n0.316797 0.533744 0.564703 F\n0.301128 0.575562 0.172339 F\n0.801128 0.424438 0.327661 F\n0.698872 0.424438 0.827661 F\n0.198872 0.575562 0.672339 F\n0.444311 0.919777 0.495547 F\n0.944311 0.080223 0.004453 F\n0.555689 0.080223 0.504453 F\n0.055689 0.919777 0.995547 F\n0.350373 0.948807 0.390955 F\n0.850373 0.051193 0.109045 F\n0.649627 0.051193 0.609045 F\n0.149627 0.948807 0.890955 F\n0.245809 0.918017 0.489830 F\n0.745809 0.081983 0.010170 F\n0.754191 0.081983 0.510170 F\n0.254191 0.918017 0.989830 F\n0.339250 0.668916 0.430606 F\n0.839250 0.331084 0.069394 F\n0.660750 0.331084 0.569394 F\n0.160750 0.668916 0.930606 F\n0.339098 0.779862 0.533845 F\n0.839098 0.220138 0.966155 F\n0.660902 0.220138 0.466155 F\n0.160902 0.779862 0.033845 F\n0.506193 0.740684 0.465156 F\n0.006193 0.259316 0.034844 F\n0.493807 0.259316 0.534844 F\n0.993807 0.740684 0.965156 F\n0.380652 0.812630 0.258360 F\n0.880652 0.187370 0.241640 F\n0.619348 0.187370 0.741640 F\n0.119348 0.812630 0.758360 F\n0.542364 0.825963 0.336417 F\n0.042364 0.174037 0.163583 F\n0.457636 0.174037 0.663583 F\n0.957636 0.825963 0.836417 F\n0.457010 0.703301 0.291544 F\n0.957010 0.296699 0.208456 F\n0.542990 0.296699 0.708456 F\n0.042990 0.703301 0.791544 F\n0.025102 0.983378 0.198872 F\n0.525102 0.016622 0.301128 F\n0.974898 0.016622 0.801128 F\n0.474898 0.983378 0.698872 F\n0.113854 0.989422 0.316931 F\n0.613854 0.010578 0.183069 F\n0.886146 0.010578 0.683069 F\n0.386146 0.989422 0.816931 F\n0.145561 0.882060 0.212668 F\n0.645561 0.117940 0.287332 F\n0.854439 0.117940 0.787332 F\n0.354439 0.882060 0.712668 F\n0.937566 0.809473 0.139737 F\n0.437566 0.190527 0.360263 F\n0.062434 0.190527 0.860263 F\n0.562434 0.809473 0.639737 F\n0.791707 0.898743 0.184343 F\n0.291707 0.101257 0.315657 F\n0.208293 0.101257 0.815657 F\n0.708293 0.898743 0.684343 F\n0.804118 0.782702 0.225897 F\n0.304118 0.217298 0.274103 F\n0.195882 0.217298 0.774103 F\n0.695882 0.782702 0.725897 F\n0.937885 0.964328 0.423576 F\n0.437885 0.035672 0.076424 F\n0.062115 0.035672 0.576424 F\n0.562115 0.964328 0.923576 F\n0.769834 0.912893 0.363672 F\n0.269834 0.087107 0.136328 F\n0.230166 0.087107 0.636328 F\n0.730166 0.912893 0.863672 F\n0.851104 0.022616 0.333550 F\n0.351104 0.977384 0.166450 F\n0.148896 0.977384 0.666450 F\n0.648896 0.022616 0.833550 F\n",
"nsites": 240,
"nelements": 4,
"elements": [
"Li",
"C",
"O",
"F"
],
"chemical_system": "C-F-Li-O",
"density": 2.1566060399992555,
"density_atomic": 0.08051069143268427,
"volume": 2980.9705484974775,
"volume_molar": 7.47992676852759,
"formula_full": "Li16 C64 O16 F144",
"formula_reduced": "LiC4OF9",
"formula_anonymous": "ABC4D9",
"energy": -1424.18946572,
"energy_per_atom": -5.934122773833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1346.66946572,
"band_gap": 6.087899999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.35e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.503000Z",
"spacegroup": 14
},
{
"id": "mp-1203908",
"created_at": "2022-09-04T14:45:31.233066Z",
"structure_string": "Ga24 P24 H48 C8 N8 O104\n1.0\n-10.406787 0.000000 0.000000\n-0.000000 0.000000 -14.385952\n0.000000 -17.252111 0.000000\nGa P H C N O\n24 24 48 8 8 104\ndirect\n0.383177 0.743092 0.805542 Ga\n0.883177 0.256908 0.694458 Ga\n0.616823 0.756908 0.305542 Ga\n0.116823 0.243092 0.194458 Ga\n0.616823 0.256908 0.194458 Ga\n0.116823 0.743092 0.305542 Ga\n0.383177 0.243092 0.694458 Ga\n0.883177 0.756908 0.805542 Ga\n0.379807 0.560100 0.105135 Ga\n0.879807 0.439900 0.394865 Ga\n0.620193 0.939900 0.605135 Ga\n0.120193 0.060100 0.894865 Ga\n0.620193 0.439900 0.894865 Ga\n0.120193 0.560100 0.605135 Ga\n0.379807 0.060100 0.394865 Ga\n0.879807 0.939900 0.105135 Ga\n0.156644 0.972440 0.692082 Ga\n0.656644 0.027560 0.807918 Ga\n0.843356 0.527560 0.192082 Ga\n0.343356 0.472440 0.307918 Ga\n0.843356 0.027560 0.307918 Ga\n0.343356 0.972440 0.192082 Ga\n0.156644 0.472440 0.807918 Ga\n0.656644 0.527560 0.692082 Ga\n0.134207 0.752671 0.699553 P\n0.634207 0.247329 0.800447 P\n0.865793 0.747329 0.199553 P\n0.365793 0.252671 0.300447 P\n0.865793 0.247329 0.300447 P\n0.365793 0.752671 0.199553 P\n0.134207 0.252671 0.800447 P\n0.634207 0.747329 0.699553 P\n0.368360 0.566627 0.915569 P\n0.868360 0.433373 0.584431 P\n0.631640 0.933373 0.415569 P\n0.131640 0.066627 0.084431 P\n0.631640 0.433373 0.084431 P\n0.131640 0.566627 0.415569 P\n0.368360 0.066627 0.584431 P\n0.868360 0.933373 0.915569 P\n0.367322 0.954800 0.844013 P\n0.867322 0.045200 0.655987 P\n0.632678 0.545200 0.344013 P\n0.132678 0.454800 0.155987 P\n0.632678 0.045200 0.155987 P\n0.132678 0.954800 0.344013 P\n0.367322 0.454800 0.655987 P\n0.867322 0.545200 0.844013 P\n0.476537 0.632041 0.460473 H\n0.976537 0.367959 0.039527 H\n0.523463 0.867959 0.960473 H\n0.023463 0.132041 0.539527 H\n0.523463 0.367959 0.539527 H\n0.023463 0.632041 0.960473 H\n0.476537 0.132041 0.039527 H\n0.976537 0.867959 0.460473 H\n0.493326 0.628203 0.557377 H\n0.993326 0.371797 0.942623 H\n0.506674 0.871797 0.057377 H\n0.006674 0.128203 0.442623 H\n0.506674 0.371797 0.442623 H\n0.006674 0.628203 0.057377 H\n0.493326 0.128203 0.942623 H\n0.993326 0.871797 0.557377 H\n0.351467 0.606036 0.517251 H\n0.851467 0.393964 0.982749 H\n0.648533 0.893964 0.017251 H\n0.148533 0.106036 0.482749 H\n0.648533 0.393964 0.482749 H\n0.148533 0.606036 0.017251 H\n0.351467 0.106036 0.982749 H\n0.851467 0.893964 0.517251 H\n0.484970 0.789154 0.513507 H\n0.984970 0.210846 0.986493 H\n0.515030 0.710846 0.013507 H\n0.015030 0.289154 0.486493 H\n0.515030 0.210846 0.486493 H\n0.015030 0.789154 0.013507 H\n0.484970 0.289154 0.986493 H\n0.984970 0.710846 0.513507 H\n0.335639 0.764475 0.467265 H\n0.835639 0.235525 0.032735 H\n0.664361 0.735525 0.967265 H\n0.164361 0.264475 0.532735 H\n0.664361 0.235525 0.532735 H\n0.164361 0.764475 0.967265 H\n0.335639 0.264475 0.032735 H\n0.835639 0.735525 0.467265 H\n0.345721 0.760769 0.570349 H\n0.845721 0.239231 0.929651 H\n0.654279 0.739231 0.070348 H\n0.154279 0.260769 0.429652 H\n0.654279 0.239231 0.429652 H\n0.154279 0.760769 0.070348 H\n0.345721 0.260769 0.929651 H\n0.845721 0.739231 0.570349 H\n0.397349 0.747637 0.516391 C\n0.897349 0.252363 0.983609 C\n0.602651 0.752363 0.016391 C\n0.102651 0.247637 0.483609 C\n0.602651 0.252363 0.483609 C\n0.102651 0.747637 0.016391 C\n0.397349 0.247637 0.983609 C\n0.897349 0.752363 0.516391 C\n0.432664 0.647262 0.512655 N\n0.932664 0.352738 0.987345 N\n0.567336 0.852738 0.012655 N\n0.067336 0.147262 0.487345 N\n0.567336 0.352738 0.487345 N\n0.067336 0.647262 0.012655 N\n0.432664 0.147262 0.987345 N\n0.932664 0.852738 0.512655 N\n0.351455 0.604216 0.998644 O\n0.851455 0.395784 0.501356 O\n0.648545 0.895784 0.498644 O\n0.148545 0.104216 0.001356 O\n0.648545 0.395784 0.001356 O\n0.148545 0.604216 0.498644 O\n0.351455 0.104216 0.501356 O\n0.851455 0.895784 0.998644 O\n0.402868 0.850879 0.863755 O\n0.902868 0.149121 0.636245 O\n0.597132 0.649121 0.363755 O\n0.097132 0.350879 0.136245 O\n0.597132 0.149121 0.136245 O\n0.097132 0.850879 0.363755 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"formula_full": "Li8 Si8 H152 C48 N32",
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"updated_at": "2021-11-28T01:35:39.735000Z",
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},
{
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"elements": [
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"formula_full": "Si8 Sn8 H164 C64 O12",
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"updated_at": "2021-11-28T01:36:23.455000Z",
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},
{
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"elements": [
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"chemical_system": "C-F-O-P-Ru",
"density": 2.3452753175353522,
"density_atomic": 0.05945101513276169,
"volume": 3229.5495639769906,
"volume_molar": 10.129584409201073,
"formula_full": "P16 Ru16 C64 O48 F48",
"formula_reduced": "PRuC4(OF)3",
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"total_magnetization": 0.0005884,
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"updated_at": "2021-11-28T01:35:15.215000Z",
"spacegroup": 14
},
{
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"nelements": 4,
"elements": [
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"chemical_system": "Ba-F-In-S",
"density": 4.500447797011929,
"density_atomic": 0.03998513210162641,
"volume": 6502.416931853138,
"volume_molar": 15.06095001685651,
"formula_full": "Ba72 In32 S84 F72",
"formula_reduced": "Ba18In8(S7F6)3",
"formula_anonymous": "A8B18C18D21",
"energy": -1405.9236205,
"energy_per_atom": -5.407398540384615,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1330.4076205,
"band_gap": 2.3067,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.554000Z",
"spacegroup": 138
},
{
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},
{
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}