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            "structure_string": "Cd32 As16 H16 O80\n1.0\n14.398571 0.000000 0.000000\n0.000000 10.857669 0.000000\n0.000000 4.217535 12.641284\nCd As H O\n32 16 16 80\ndirect\n0.019103 0.811180 0.690560 Cd\n0.519103 0.188820 0.809440 Cd\n0.980897 0.188820 0.309440 Cd\n0.480897 0.811180 0.190560 Cd\n0.504759 0.789787 0.698581 Cd\n0.004759 0.210213 0.801419 Cd\n0.495241 0.210213 0.301419 Cd\n0.995241 0.789787 0.198581 Cd\n0.748175 0.704995 0.801135 Cd\n0.248175 0.295005 0.698865 Cd\n0.251825 0.295005 0.198865 Cd\n0.751825 0.704995 0.301135 Cd\n0.233339 0.693700 0.814798 Cd\n0.733339 0.306300 0.685202 Cd\n0.766661 0.306300 0.185202 Cd\n0.266661 0.693700 0.314798 Cd\n0.428183 0.533607 0.598650 Cd\n0.928183 0.466393 0.901350 Cd\n0.571817 0.466393 0.401350 Cd\n0.071817 0.533607 0.098650 Cd\n0.923089 0.556019 0.582924 Cd\n0.423089 0.443981 0.917076 Cd\n0.076911 0.443981 0.417076 Cd\n0.576911 0.556019 0.082924 Cd\n0.824712 0.965283 0.890074 Cd\n0.324712 0.034717 0.609926 Cd\n0.175288 0.034717 0.109926 Cd\n0.675288 0.965283 0.390074 Cd\n0.324289 0.951515 0.925937 Cd\n0.824289 0.048485 0.574063 Cd\n0.675711 0.048485 0.074063 Cd\n0.175711 0.951515 0.425937 Cd\n0.675052 0.621539 0.575970 As\n0.175052 0.378461 0.924030 As\n0.324948 0.378461 0.424030 As\n0.824948 0.621539 0.075970 As\n0.173353 0.617120 0.575888 As\n0.673353 0.382880 0.924112 As\n0.826647 0.382880 0.424112 As\n0.326647 0.617120 0.075888 As\n0.078440 0.885160 0.925753 As\n0.578440 0.114840 0.574247 As\n0.921560 0.114840 0.074247 As\n0.421560 0.885160 0.425753 As\n0.574273 0.879060 0.924209 As\n0.074273 0.120940 0.575791 As\n0.425727 0.120940 0.075791 As\n0.925727 0.879060 0.424209 As\n0.533247 0.540918 0.760642 H\n0.033247 0.459082 0.739358 H\n0.466753 0.459082 0.239358 H\n0.966753 0.540918 0.260642 H\n0.336374 0.783155 0.643245 H\n0.836374 0.216845 0.856755 H\n0.663626 0.216845 0.356755 H\n0.163626 0.783155 0.143245 H\n0.715300 0.955056 0.728946 H\n0.215300 0.044944 0.771054 H\n0.284700 0.044944 0.271054 H\n0.784700 0.955056 0.228946 H\n0.916256 0.720214 0.862270 H\n0.416256 0.279786 0.637730 H\n0.083744 0.279786 0.137730 H\n0.583744 0.720214 0.362270 H\n0.081383 0.530557 0.550073 O\n0.581383 0.469443 0.949927 O\n0.918617 0.469443 0.449927 O\n0.418617 0.530557 0.050073 O\n0.588271 0.519520 0.559040 O\n0.088271 0.480480 0.940960 O\n0.411729 0.480480 0.440960 O\n0.911729 0.519520 0.059040 O\n0.661697 0.987432 0.926997 O\n0.161697 0.012568 0.573003 O\n0.338303 0.012568 0.073003 O\n0.838303 0.987432 0.426997 O\n0.166641 0.974131 0.957456 O\n0.666641 0.025869 0.542544 O\n0.833359 0.025869 0.042544 O\n0.333359 0.974131 0.457456 O\n0.454755 0.757468 0.534147 O\n0.954755 0.242532 0.965853 O\n0.545245 0.242532 0.465853 O\n0.045245 0.757468 0.034147 O\n0.944310 0.770570 0.549468 O\n0.444310 0.229430 0.950532 O\n0.055690 0.229430 0.450532 O\n0.555690 0.770570 0.049468 O\n0.798011 0.742234 0.960176 O\n0.298011 0.257766 0.539824 O\n0.201989 0.257766 0.039824 O\n0.701989 0.742234 0.460176 O\n0.295008 0.738463 0.961447 O\n0.795008 0.261537 0.538553 O\n0.704992 0.261537 0.038553 O\n0.204992 0.738463 0.461447 O\n0.647396 0.689260 0.673134 O\n0.147396 0.310740 0.826866 O\n0.352604 0.310740 0.326866 O\n0.852604 0.689260 0.173134 O\n0.140435 0.681396 0.673819 O\n0.640435 0.318604 0.826181 O\n0.859565 0.318604 0.326181 O\n0.359565 0.681396 0.173819 O\n0.116294 0.831886 0.822574 O\n0.616294 0.168114 0.677426 O\n0.883706 0.168114 0.177426 O\n0.383706 0.831886 0.322574 O\n0.598733 0.795163 0.837681 O\n0.098733 0.204837 0.662319 O\n0.401267 0.204837 0.162319 O\n0.901267 0.795163 0.337681 O\n0.770440 0.520312 0.619853 O\n0.270440 0.479688 0.880147 O\n0.229560 0.479688 0.380147 O\n0.729560 0.520312 0.119853 O\n0.266642 0.515327 0.619575 O\n0.766642 0.484673 0.880425 O\n0.733358 0.484673 0.380425 O\n0.233358 0.515327 0.119575 O\n0.476927 0.975844 0.882485 O\n0.976927 0.024156 0.617515 O\n0.523073 0.024156 0.117515 O\n0.023073 0.975844 0.382485 O\n0.985843 0.987508 0.876983 O\n0.485843 0.012492 0.623017 O\n0.014157 0.012492 0.123017 O\n0.514157 0.987508 0.376983 O\n0.468213 0.567886 0.755259 O\n0.968213 0.432114 0.744741 O\n0.531787 0.432114 0.244741 O\n0.031787 0.567886 0.255259 O\n0.341676 0.813729 0.704553 O\n0.841676 0.186271 0.795447 O\n0.658324 0.186271 0.295447 O\n0.158324 0.813729 0.204553 O\n0.779795 0.925455 0.736711 O\n0.279795 0.074545 0.763289 O\n0.220205 0.074545 0.263289 O\n0.720205 0.925455 0.236711 O\n0.913983 0.686603 0.802307 O\n0.413983 0.313397 0.697693 O\n0.086017 0.313397 0.197693 O\n0.586017 0.686603 0.302307 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Cd",
                "As",
                "H",
                "O"
            ],
            "chemical_system": "As-Cd-H-O",
            "density": 5.118705556397131,
            "density_atomic": 0.07286438666906843,
            "volume": 1976.274097440928,
            "volume_molar": 8.264861663285572,
            "formula_full": "Cd32 As16 H16 O80",
            "formula_reduced": "Cd2AsHO5",
            "formula_anonymous": "ABC2D5",
            "energy": -783.98212747,
            "energy_per_atom": -5.444320329652778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -729.02212747,
            "band_gap": 1.5943,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0025128,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:48.467000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1076540",
            "created_at": "2022-09-04T14:39:10.497379Z",
            "structure_string": "K12 Na20 V4 Mo28 O80\n1.0\n0.010670 0.049284 11.434380\n11.731429 -0.014608 0.011101\n-5.890868 15.113489 -5.654259\nK Na V Mo O\n12 20 4 28 80\ndirect\n0.305193 0.065747 0.109623 K\n0.305384 0.563807 0.110588 K\n0.802882 0.064930 0.109650 K\n0.802536 0.564885 0.109577 K\n0.200921 0.933677 0.395220 K\n0.191219 0.922910 0.879031 K\n0.688624 0.427930 0.879257 K\n0.055683 0.295690 0.110782 K\n0.051671 0.793231 0.108136 K\n0.555680 0.294463 0.110043 K\n0.554741 0.795173 0.108540 K\n0.942729 0.702353 0.879691 K\n0.297464 0.071850 0.607979 Na\n0.308023 0.569364 0.609914 Na\n0.802107 0.067671 0.604113 Na\n0.809044 0.567685 0.603537 Na\n0.199845 0.437213 0.405214 Na\n0.198961 0.430593 0.888402 Na\n0.698286 0.436374 0.403692 Na\n0.699476 0.935243 0.402537 Na\n0.697521 0.929606 0.892567 Na\n0.057674 0.289682 0.607885 Na\n0.057167 0.784258 0.605696 Na\n0.553083 0.289430 0.604461 Na\n0.550253 0.783071 0.603788 Na\n0.448861 0.217756 0.404164 Na\n0.441925 0.211100 0.890954 Na\n0.447891 0.717732 0.403757 Na\n0.449074 0.708145 0.888568 Na\n0.949874 0.218009 0.404067 Na\n0.945513 0.212126 0.892734 Na\n0.949362 0.716705 0.403574 Na\n0.105878 0.579553 0.742531 V\n0.595992 0.588590 0.744182 V\n0.350935 0.411914 0.747638 V\n0.348542 0.909391 0.744030 V\n0.003628 0.998005 0.994131 Mo\n0.011530 0.001514 0.503277 Mo\n0.003002 0.494733 0.993246 Mo\n0.013222 0.500654 0.503352 Mo\n0.499920 0.994694 0.989616 Mo\n0.512937 0.002684 0.503709 Mo\n0.500581 0.495632 0.992148 Mo\n0.512682 0.501465 0.504369 Mo\n0.253299 0.248007 0.993283 Mo\n0.262458 0.254740 0.505690 Mo\n0.252076 0.743822 0.991661 Mo\n0.262983 0.751649 0.505153 Mo\n0.752283 0.245037 0.991853 Mo\n0.762722 0.249808 0.500935 Mo\n0.750952 0.746900 0.992271 Mo\n0.762925 0.751213 0.502461 Mo\n0.097246 0.103711 0.258147 Mo\n0.095055 0.089165 0.745872 Mo\n0.097022 0.591841 0.257500 Mo\n0.599606 0.100638 0.257811 Mo\n0.588720 0.083269 0.743818 Mo\n0.598066 0.598035 0.258405 Mo\n0.350021 0.410750 0.260486 Mo\n0.353076 0.910475 0.253859 Mo\n0.847909 0.409967 0.259529 Mo\n0.850012 0.407253 0.741286 Mo\n0.845988 0.911477 0.258869 Mo\n0.837247 0.910088 0.743696 Mo\n0.126813 0.124805 0.489378 O\n0.120831 0.119582 0.981740 O\n0.128553 0.618552 0.487851 O\n0.123358 0.612158 0.981409 O\n0.626536 0.117664 0.482208 O\n0.618353 0.110839 0.973923 O\n0.628181 0.620089 0.486934 O\n0.618524 0.619000 0.981907 O\n0.132361 0.376150 0.003211 O\n0.147021 0.387176 0.521917 O\n0.133263 0.876319 0.006273 O\n0.144238 0.883084 0.521183 O\n0.629222 0.372852 0.001725 O\n0.647647 0.386346 0.522674 O\n0.628527 0.874661 0.998167 O\n0.646563 0.886395 0.521735 O\n0.382037 0.122858 0.491918 O\n0.372900 0.117285 0.980719 O\n0.379448 0.617682 0.489152 O\n0.369253 0.612172 0.976366 O\n0.875318 0.113246 0.480950 O\n0.871052 0.114889 0.979506 O\n0.877272 0.615848 0.483939 O\n0.871037 0.615355 0.983107 O\n0.382133 0.378112 0.003405 O\n0.396392 0.387208 0.522112 O\n0.381449 0.873354 0.000555 O\n0.399287 0.888380 0.525947 O\n0.883955 0.376443 0.005210 O\n0.895865 0.384234 0.519514 O\n0.878591 0.878965 0.002180 O\n0.896151 0.886762 0.522632 O\n0.073615 0.090515 0.138433 O\n0.088096 0.113318 0.639832 O\n0.076599 0.588073 0.141342 O\n0.090294 0.604631 0.643081 O\n0.576263 0.085002 0.137785 O\n0.590452 0.113982 0.642320 O\n0.574689 0.586746 0.139411 O\n0.577522 0.610661 0.643787 O\n0.459480 0.389284 0.364970 O\n0.431475 0.397044 0.851395 O\n0.450767 0.890470 0.362787 O\n0.428237 0.896499 0.848619 O\n0.959108 0.388662 0.363439 O\n0.939344 0.392385 0.852473 O\n0.950857 0.887093 0.362976 O\n0.942415 0.904206 0.854238 O\n0.328344 0.304581 0.141153 O\n0.333284 0.291974 0.645632 O\n0.332383 0.797648 0.137598 O\n0.337490 0.787599 0.644037 O\n0.825300 0.302173 0.140615 O\n0.840086 0.272297 0.637411 O\n0.824067 0.804953 0.139495 O\n0.839435 0.779105 0.641351 O\n0.207243 0.224129 0.365506 O\n0.195982 0.212853 0.854348 O\n0.212450 0.708054 0.365121 O\n0.182049 0.690821 0.850144 O\n0.709057 0.226415 0.361822 O\n0.698537 0.199720 0.852664 O\n0.707332 0.724664 0.362868 O\n0.680549 0.700942 0.850321 O\n0.440171 0.070353 0.269421 O\n0.419189 0.057272 0.746781 O\n0.438297 0.567147 0.269947 O\n0.436284 0.550426 0.747822 O\n0.939638 0.066363 0.269428 O\n0.924798 0.061340 0.747005 O\n0.936217 0.566042 0.268628 O\n0.939806 0.543879 0.732519 O\n0.188374 0.447598 0.270353 O\n0.186525 0.440194 0.744650 O\n0.190118 0.956523 0.253244 O\n0.183153 0.939487 0.733969 O\n0.687212 0.452177 0.269720 O\n0.678987 0.448011 0.733497 O\n0.685024 0.952658 0.268069 O\n0.666096 0.930481 0.745964 O\n",
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            "nelements": 5,
            "elements": [
                "K",
                "Na",
                "V",
                "Mo",
                "O"
            ],
            "chemical_system": "K-Mo-Na-O-V",
            "density": 4.171752939609136,
            "density_atomic": 0.07094893116957583,
            "volume": 2029.6288841310943,
            "volume_molar": 8.487993632499432,
            "formula_full": "K12 Na20 V4 Mo28 O80",
            "formula_reduced": "K3Na5VMo7O20",
            "formula_anonymous": "AB3C5D7E20",
            "energy": -1052.95490534,
            "energy_per_atom": -7.31218684263889,
            "energy_above_hull": null,
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            "decomposes_to": null,
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            "energy_uncorrected": -901.53890534,
            "band_gap": 0.0025000000000003,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 58.463509,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:39.930000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-555791",
            "created_at": "2022-09-04T14:48:15.036095Z",
            "structure_string": "Si48 O96\n1.0\n-10.266919 10.266919 10.266919\n10.266919 -10.266919 10.266919\n10.266919 10.266919 -10.266919\nSi O\n48 96\ndirect\n0.652487 0.896189 0.401597 Si\n0.749110 0.347513 0.243702 Si\n0.243702 0.347513 0.749110 Si\n0.103811 0.347513 0.598403 Si\n0.756298 0.505409 0.103811 Si\n0.494591 0.243702 0.896189 Si\n0.505409 0.103811 0.756298 Si\n0.505409 0.401597 0.749110 Si\n0.401597 0.505409 0.749110 Si\n0.505409 0.756298 0.103811 Si\n0.749110 0.505409 0.401597 Si\n0.505409 0.749110 0.401597 Si\n0.598403 0.494591 0.250890 Si\n0.250890 0.494591 0.598403 Si\n0.347513 0.598403 0.103811 Si\n0.347513 0.749110 0.243702 Si\n0.103811 0.505409 0.756298 Si\n0.598403 0.103811 0.347513 Si\n0.896189 0.401597 0.652487 Si\n0.347513 0.103811 0.598403 Si\n0.896189 0.243702 0.494591 Si\n0.749110 0.243702 0.347513 Si\n0.896189 0.652487 0.401597 Si\n0.652487 0.250890 0.756298 Si\n0.243702 0.749110 0.347513 Si\n0.401597 0.749110 0.505409 Si\n0.401597 0.652487 0.896189 Si\n0.250890 0.652487 0.756298 Si\n0.347513 0.243702 0.749110 Si\n0.401597 0.896189 0.652487 Si\n0.243702 0.896189 0.494591 Si\n0.494591 0.896189 0.243702 Si\n0.896189 0.494591 0.243702 Si\n0.494591 0.598403 0.250890 Si\n0.756298 0.652487 0.250890 Si\n0.250890 0.598403 0.494591 Si\n0.749110 0.401597 0.505409 Si\n0.598403 0.250890 0.494591 Si\n0.250890 0.756298 0.652487 Si\n0.243702 0.494591 0.896189 Si\n0.494591 0.250890 0.598403 Si\n0.652487 0.401597 0.896189 Si\n0.756298 0.250890 0.652487 Si\n0.756298 0.103811 0.505409 Si\n0.598403 0.347513 0.103811 Si\n0.103811 0.598403 0.347513 Si\n0.652487 0.756298 0.250890 Si\n0.103811 0.756298 0.505409 Si\n0.514323 0.245677 0.514323 O\n0.835287 0.393214 0.228501 O\n0.755886 0.327795 0.428091 O\n0.349160 0.849160 0.698321 O\n0.428091 0.100296 0.672205 O\n0.571909 0.244114 0.672205 O\n0.327795 0.571909 0.899704 O\n0.164713 0.557927 0.393214 O\n0.500000 0.650840 0.349160 O\n0.244114 0.672205 0.571909 O\n0.349160 0.698321 0.849160 O\n0.500000 0.150840 0.849160 O\n0.268646 0.754323 0.268646 O\n0.835287 0.228501 0.393214 O\n0.000000 0.514323 0.268646 O\n0.731354 0.731354 0.245677 O\n0.571909 0.899704 0.327795 O\n0.442073 0.835287 0.606786 O\n0.500000 0.849160 0.150840 O\n0.327795 0.755886 0.428091 O\n0.731354 0.485677 0.000000 O\n0.349160 0.650840 0.500000 O\n0.393214 0.557927 0.164713 O\n0.228501 0.835287 0.393214 O\n0.899704 0.571909 0.327795 O\n0.268646 0.000000 0.514323 O\n0.835287 0.442073 0.606786 O\n0.428091 0.755886 0.327795 O\n0.849160 0.349160 0.698321 O\n0.849160 0.150840 0.500000 O\n0.244114 0.571909 0.672205 O\n0.485677 0.485677 0.754323 O\n0.849160 0.698321 0.349160 O\n0.100296 0.428091 0.672205 O\n0.349160 0.500000 0.650840 O\n0.268646 0.268646 0.754323 O\n0.650840 0.150840 0.301679 O\n0.835287 0.606786 0.442073 O\n0.428091 0.327795 0.755886 O\n0.754323 0.485677 0.485677 O\n0.000000 0.268646 0.514323 O\n0.606786 0.442073 0.835287 O\n0.606786 0.771499 0.164713 O\n0.672205 0.428091 0.100296 O\n0.771499 0.164713 0.606786 O\n0.500000 0.349160 0.650840 O\n0.268646 0.514323 0.000000 O\n0.100296 0.672205 0.428091 O\n0.514323 0.268646 0.000000 O\n0.485677 0.754323 0.485677 O\n0.698321 0.349160 0.849160 O\n0.606786 0.164713 0.771499 O\n0.771499 0.606786 0.164713 O\n0.150840 0.500000 0.849160 O\n0.557927 0.164713 0.393214 O\n0.485677 0.731354 0.000000 O\n0.393214 0.835287 0.228501 O\n0.650840 0.500000 0.349160 O\n0.571909 0.672205 0.244114 O\n0.150840 0.301679 0.650840 O\n0.442073 0.606786 0.835287 O\n0.301679 0.150840 0.650840 O\n0.514323 0.514323 0.245677 O\n0.301679 0.650840 0.150840 O\n0.571909 0.327795 0.899704 O\n0.327795 0.899704 0.571909 O\n0.164713 0.771499 0.606786 O\n0.164713 0.393214 0.557927 O\n0.731354 0.245677 0.731354 O\n0.849160 0.500000 0.150840 O\n0.606786 0.835287 0.442073 O\n0.393214 0.164713 0.557927 O\n0.731354 0.000000 0.485677 O\n0.557927 0.393214 0.164713 O\n0.672205 0.244114 0.571909 O\n0.755886 0.428091 0.327795 O\n0.428091 0.672205 0.100296 O\n0.698321 0.849160 0.349160 O\n0.327795 0.428091 0.755886 O\n0.650840 0.349160 0.500000 O\n0.000000 0.731354 0.485677 O\n0.245677 0.731354 0.731354 O\n0.164713 0.606786 0.771499 O\n0.754323 0.268646 0.268646 O\n0.000000 0.485677 0.731354 O\n0.393214 0.228501 0.835287 O\n0.899704 0.327795 0.571909 O\n0.672205 0.100296 0.428091 O\n0.650840 0.301679 0.150840 O\n0.228501 0.393214 0.835287 O\n0.150840 0.849160 0.500000 O\n0.245677 0.514323 0.514323 O\n0.485677 0.000000 0.731354 O\n0.150840 0.650840 0.301679 O\n0.514323 0.000000 0.268646 O\n0.672205 0.571909 0.244114 O\n",
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            "elements": [
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                "O"
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            "chemical_system": "O-Si",
            "density": 1.1062949814317262,
            "density_atomic": 0.033264583772628344,
            "volume": 4328.928357687431,
            "volume_molar": 18.10376104857593,
            "formula_full": "Si48 O96",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy": -1200.04148665,
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            "energy_uncorrected": -1134.08948665,
            "band_gap": 5.7384,
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            "is_magnetic": false,
            "total_magnetization": 0.0010069,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:46.694000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-1202706",
            "created_at": "2022-09-04T14:39:05.177297Z",
            "structure_string": "Mn4 H48 N32 O60\n1.0\n12.750017 0.000000 0.000000\n0.000000 8.209172 0.000000\n0.000000 0.000000 14.964553\nMn H N O\n4 48 32 60\ndirect\n0.431971 0.512096 0.287828 Mn\n0.568029 0.487904 0.787828 Mn\n0.068029 0.512096 0.787828 Mn\n0.931971 0.487904 0.287828 Mn\n0.435115 0.882573 0.761505 H\n0.564885 0.117427 0.261505 H\n0.064885 0.882573 0.261505 H\n0.935115 0.117427 0.761505 H\n0.427933 0.981552 0.861290 H\n0.572067 0.018448 0.361290 H\n0.072067 0.981552 0.361290 H\n0.927933 0.018448 0.861290 H\n0.448066 0.084517 0.763126 H\n0.551934 0.915483 0.263126 H\n0.051934 0.084517 0.263126 H\n0.948066 0.915483 0.763126 H\n0.542463 0.965304 0.806948 H\n0.457537 0.034696 0.306948 H\n0.957537 0.965304 0.306948 H\n0.042463 0.034696 0.806948 H\n0.334271 0.314579 0.061805 H\n0.665729 0.685421 0.561805 H\n0.165729 0.314579 0.561805 H\n0.834271 0.685421 0.061805 H\n0.296541 0.199240 0.149625 H\n0.703459 0.800760 0.649625 H\n0.203459 0.199240 0.649625 H\n0.796541 0.800760 0.149625 H\n0.336878 0.109650 0.052136 H\n0.663122 0.890350 0.552136 H\n0.163122 0.109650 0.552136 H\n0.836878 0.890350 0.052136 H\n0.220646 0.213325 0.057440 H\n0.779354 0.786675 0.557440 H\n0.279354 0.213325 0.557440 H\n0.720646 0.786675 0.057440 H\n0.821468 0.162080 0.462500 H\n0.178532 0.837920 0.962500 H\n0.678532 0.162080 0.962500 H\n0.321468 0.837920 0.462500 H\n0.850429 0.343997 0.510252 H\n0.149571 0.656003 0.010252 H\n0.649571 0.343997 0.010252 H\n0.350429 0.656003 0.510252 H\n0.791666 0.198852 0.571075 H\n0.208334 0.801148 0.071075 H\n0.708334 0.198852 0.071075 H\n0.291666 0.801148 0.571075 H\n0.724793 0.297847 0.490237 H\n0.275207 0.702153 0.990237 H\n0.775207 0.297847 0.990237 H\n0.224793 0.702153 0.490237 H\n0.462868 0.979122 0.797983 N\n0.537132 0.020878 0.297983 N\n0.037132 0.979122 0.297983 N\n0.962868 0.020878 0.797983 N\n0.296589 0.208163 0.080675 N\n0.703411 0.791837 0.580675 N\n0.203411 0.208163 0.580675 N\n0.796589 0.791837 0.080675 N\n0.797127 0.249185 0.507433 N\n0.202873 0.750815 0.007433 N\n0.702873 0.249185 0.007433 N\n0.297127 0.750815 0.507433 N\n0.288956 0.282415 0.338144 N\n0.711044 0.717585 0.838144 N\n0.211044 0.282415 0.838144 N\n0.788956 0.717585 0.338144 N\n0.567013 0.539401 0.150157 N\n0.432987 0.460599 0.650157 N\n0.932987 0.539401 0.650157 N\n0.067013 0.460599 0.150157 N\n0.562667 0.491266 0.430218 N\n0.437333 0.508734 0.930218 N\n0.937333 0.491266 0.930218 N\n0.062667 0.508734 0.430218 N\n0.299439 0.751787 0.225960 N\n0.700561 0.248213 0.725960 N\n0.200561 0.751787 0.725960 N\n0.799439 0.248213 0.225960 N\n0.504638 0.965671 0.021561 N\n0.495362 0.034329 0.521561 N\n0.995362 0.965671 0.521561 N\n0.004638 0.034329 0.021561 N\n0.303460 0.419085 0.377810 O\n0.696540 0.580915 0.877810 O\n0.196540 0.419085 0.877810 O\n0.803460 0.580915 0.377810 O\n0.348639 0.255716 0.269358 O\n0.651361 0.744284 0.769358 O\n0.151361 0.255716 0.769358 O\n0.848639 0.744284 0.269358 O\n0.223447 0.183059 0.363694 O\n0.776553 0.816941 0.863694 O\n0.276553 0.183059 0.863694 O\n0.723447 0.816941 0.363694 O\n0.556581 0.653182 0.208541 O\n0.443419 0.346818 0.708541 O\n0.943419 0.653182 0.708541 O\n0.056581 0.346818 0.208541 O\n0.517695 0.406473 0.165103 O\n0.482305 0.593527 0.665103 O\n0.982305 0.406473 0.665103 O\n0.017695 0.593527 0.165103 O\n0.622052 0.558067 0.082231 O\n0.377948 0.441933 0.582231 O\n0.877948 0.558067 0.582231 O\n0.122052 0.441933 0.082231 O\n0.560481 0.382053 0.369320 O\n0.439519 0.617947 0.869320 O\n0.939519 0.382053 0.869320 O\n0.060481 0.617947 0.369320 O\n0.502970 0.614922 0.419885 O\n0.497030 0.385078 0.919885 O\n0.997030 0.614922 0.919885 O\n0.002970 0.385078 0.419885 O\n0.620884 0.477165 0.497013 O\n0.379116 0.522835 0.997013 O\n0.879116 0.477165 0.997013 O\n0.120884 0.522835 0.497013 O\n0.350768 0.778449 0.297637 O\n0.649232 0.221551 0.797637 O\n0.149232 0.778449 0.797637 O\n0.850768 0.221551 0.297637 O\n0.310270 0.612209 0.189114 O\n0.689730 0.387791 0.689114 O\n0.189730 0.612209 0.689114 O\n0.810270 0.387791 0.189114 O\n0.240694 0.857869 0.192103 O\n0.759306 0.142131 0.692103 O\n0.259306 0.857869 0.692103 O\n0.740694 0.142131 0.192103 O\n0.514014 0.995489 0.103320 O\n0.485986 0.004511 0.603320 O\n0.985986 0.995489 0.603320 O\n0.014014 0.004511 0.103320 O\n0.412432 0.968869 0.985511 O\n0.587568 0.031131 0.485511 O\n0.087568 0.968869 0.485511 O\n0.912432 0.031131 0.985511 O\n0.583510 0.934845 0.972982 O\n0.416490 0.065155 0.472982 O\n0.916490 0.934845 0.472982 O\n0.083510 0.065155 0.972982 O\n",
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            "nelements": 4,
            "elements": [
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            ],
            "chemical_system": "H-Mn-N-O",
            "density": 1.7771742252768654,
            "density_atomic": 0.09193663931617278,
            "volume": 1566.2961042635004,
            "volume_molar": 6.550316397023914,
            "formula_full": "Mn4 H48 N32 O60",
            "formula_reduced": "MnH12N8O15",
            "formula_anonymous": "AB8C12D15",
            "energy": -885.51137395,
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            "energy_above_hull": null,
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            "band_gap": 2.9181,
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            "updated_at": "2021-11-28T01:34:32.889000Z",
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        {
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            "updated_at": "2021-11-28T01:34:33.686000Z",
            "spacegroup": 1
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            "id": "mp-1099847",
            "created_at": "2022-09-04T14:42:48.104098Z",
            "structure_string": "Sr4 Ca28 Fe4 Co28 O80\n1.0\n-0.093216 0.004052 10.650337\n11.132184 0.004483 -0.096317\n-5.513554 15.228626 -5.271916\nSr Ca Fe Co O\n4 28 4 28 80\ndirect\n0.306551 0.563275 0.608882 Sr\n0.056996 0.294220 0.610096 Sr\n0.559540 0.295529 0.610059 Sr\n0.449570 0.199801 0.890159 Sr\n0.304778 0.065741 0.110323 Ca\n0.305678 0.063102 0.604102 Ca\n0.306366 0.567350 0.110995 Ca\n0.803127 0.066497 0.109490 Ca\n0.803808 0.063566 0.607610 Ca\n0.808154 0.566249 0.110613 Ca\n0.803677 0.567812 0.607490 Ca\n0.194851 0.431354 0.388149 Ca\n0.198443 0.434315 0.897007 Ca\n0.197313 0.931557 0.388979 Ca\n0.195329 0.936605 0.892811 Ca\n0.695258 0.432602 0.388996 Ca\n0.701364 0.433059 0.896616 Ca\n0.695578 0.934048 0.390134 Ca\n0.695380 0.938886 0.892566 Ca\n0.053618 0.295621 0.109383 Ca\n0.056399 0.793291 0.109691 Ca\n0.053348 0.793626 0.607797 Ca\n0.558113 0.291296 0.110320 Ca\n0.556655 0.792490 0.110913 Ca\n0.554915 0.795370 0.607804 Ca\n0.445825 0.205435 0.388678 Ca\n0.446585 0.707598 0.390093 Ca\n0.448543 0.714651 0.896050 Ca\n0.943046 0.204426 0.388082 Ca\n0.946583 0.207043 0.891335 Ca\n0.945236 0.704825 0.389760 Ca\n0.944597 0.711103 0.892948 Ca\n0.103106 0.595517 0.752807 Fe\n0.614226 0.597122 0.754640 Fe\n0.359640 0.412224 0.754849 Fe\n0.354893 0.907924 0.747722 Fe\n0.005169 0.002428 0.002126 Co\n0.003285 0.995850 0.496132 Co\n0.006613 0.501603 0.001733 Co\n0.001355 0.498828 0.495557 Co\n0.506352 0.999654 0.003340 Co\n0.504764 0.997990 0.496505 Co\n0.507975 0.499918 0.001819 Co\n0.504195 0.499445 0.495853 Co\n0.256238 0.251519 0.004165 Co\n0.251925 0.245299 0.494001 Co\n0.255313 0.751178 0.000567 Co\n0.255164 0.749036 0.497735 Co\n0.757913 0.251169 0.003295 Co\n0.752307 0.247510 0.494777 Co\n0.756659 0.752130 0.001334 Co\n0.753618 0.749259 0.497900 Co\n0.107725 0.093156 0.248430 Co\n0.104320 0.091695 0.750043 Co\n0.109371 0.594995 0.250232 Co\n0.608421 0.093047 0.250174 Co\n0.612811 0.091306 0.748539 Co\n0.608895 0.594052 0.249709 Co\n0.356626 0.406375 0.249145 Co\n0.357696 0.904816 0.249461 Co\n0.857190 0.405628 0.249503 Co\n0.860067 0.404888 0.753083 Co\n0.857456 0.904710 0.249559 Co\n0.857663 0.903912 0.750149 Co\n0.119964 0.111468 0.485413 O\n0.124771 0.127647 0.990076 O\n0.117591 0.614383 0.484096 O\n0.126840 0.625887 0.989314 O\n0.622222 0.116965 0.482319 O\n0.626795 0.119089 0.993188 O\n0.620112 0.616912 0.486670 O\n0.629651 0.626625 0.990836 O\n0.136876 0.388761 0.016869 O\n0.132675 0.368556 0.502888 O\n0.133160 0.887306 0.014357 O\n0.137048 0.872781 0.510489 O\n0.637764 0.386861 0.017403 O\n0.638988 0.377618 0.507522 O\n0.633709 0.884102 0.016966 O\n0.638159 0.874290 0.510426 O\n0.368154 0.118994 0.484290 O\n0.373105 0.109451 0.991615 O\n0.368760 0.620250 0.481853 O\n0.377428 0.611911 0.988967 O\n0.868251 0.118762 0.485082 O\n0.876336 0.114154 0.988422 O\n0.867627 0.621817 0.485260 O\n0.876975 0.614708 0.986627 O\n0.383289 0.377696 0.013672 O\n0.384650 0.382992 0.503122 O\n0.385497 0.877760 0.014879 O\n0.384634 0.882645 0.510153 O\n0.887477 0.384558 0.013610 O\n0.883573 0.386468 0.507680 O\n0.885281 0.881585 0.015927 O\n0.887160 0.883380 0.509344 O\n0.088008 0.106427 0.142500 O\n0.085506 0.090348 0.640257 O\n0.088110 0.605803 0.143503 O\n0.079438 0.600383 0.639317 O\n0.587830 0.104105 0.143964 O\n0.590807 0.091150 0.638631 O\n0.588725 0.603885 0.142650 O\n0.587102 0.599841 0.639872 O\n0.445702 0.398035 0.356578 O\n0.454707 0.400733 0.862712 O\n0.445350 0.897099 0.357194 O\n0.447986 0.898999 0.858431 O\n0.942506 0.397053 0.357573 O\n0.950676 0.396156 0.858893 O\n0.943971 0.895634 0.357795 O\n0.946563 0.898295 0.857940 O\n0.335935 0.288745 0.141174 O\n0.330656 0.291874 0.642303 O\n0.335622 0.788953 0.141089 O\n0.335320 0.790970 0.636471 O\n0.837956 0.289869 0.142333 O\n0.831218 0.289719 0.644968 O\n0.838013 0.788824 0.141656 O\n0.836645 0.790351 0.641624 O\n0.195059 0.209215 0.355439 O\n0.187658 0.208843 0.859208 O\n0.195528 0.711304 0.357538 O\n0.197428 0.718263 0.862772 O\n0.695868 0.211373 0.356193 O\n0.695066 0.206405 0.858011 O\n0.693490 0.710735 0.357094 O\n0.703240 0.721390 0.864524 O\n0.425026 0.067275 0.249614 O\n0.425406 0.063789 0.741675 O\n0.425298 0.568131 0.249600 O\n0.433812 0.574422 0.758527 O\n0.924960 0.066637 0.249281 O\n0.921308 0.068407 0.749673 O\n0.926478 0.567993 0.250291 O\n0.920854 0.570974 0.750959 O\n0.174831 0.432945 0.249295 O\n0.180625 0.441260 0.759439 O\n0.175278 0.931887 0.249069 O\n0.174207 0.929928 0.750767 O\n0.675177 0.432244 0.249288 O\n0.681891 0.440095 0.759858 O\n0.675704 0.931704 0.250057 O\n0.674760 0.928618 0.750249 O\n",
            "nsites": 144,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Fe",
                "Co",
                "O"
            ],
            "chemical_system": "Ca-Co-Fe-O-Sr",
            "density": 4.253763943438467,
            "density_atomic": 0.07973874089423094,
            "volume": 1805.8975898679926,
            "volume_molar": 7.552339919673473,
            "formula_full": "Sr4 Ca28 Fe4 Co28 O80",
            "formula_reduced": "SrCa7FeCo7O20",
            "formula_anonymous": "ABC7D7E20",
            "energy": -1006.38119897,
            "energy_per_atom": -6.988758326180555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -896.5331989700001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 113.9802991,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:50.685000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1076695",
            "created_at": "2022-09-04T14:42:03.949209Z",
            "structure_string": "Sr28 Ca4 Ti32 O80\n1.0\n-0.006286 -0.019905 11.257465\n11.232570 0.001312 -0.006349\n-5.612366 15.722474 -5.653885\nSr Ca Ti O\n28 4 32 80\ndirect\n0.307402 0.059486 0.619832 Sr\n0.305865 0.558789 0.619058 Sr\n0.806956 0.057542 0.618245 Sr\n0.804757 0.563342 0.116853 Sr\n0.806401 0.559382 0.619132 Sr\n0.189558 0.439215 0.384781 Sr\n0.186353 0.440529 0.880451 Sr\n0.192355 0.939984 0.387896 Sr\n0.187034 0.940423 0.879579 Sr\n0.691706 0.440645 0.386909 Sr\n0.688641 0.440688 0.882368 Sr\n0.688670 0.936986 0.384769 Sr\n0.688377 0.939492 0.880426 Sr\n0.059042 0.303967 0.116459 Sr\n0.055659 0.309366 0.618960 Sr\n0.055704 0.808883 0.617851 Sr\n0.558164 0.303283 0.113277 Sr\n0.556174 0.310627 0.620498 Sr\n0.557396 0.802530 0.115331 Sr\n0.556813 0.808937 0.618945 Sr\n0.443362 0.197323 0.388277 Sr\n0.437626 0.188980 0.881034 Sr\n0.439333 0.698559 0.385458 Sr\n0.437979 0.689967 0.881478 Sr\n0.937712 0.192591 0.385390 Sr\n0.937996 0.189341 0.882180 Sr\n0.939271 0.695906 0.383263 Sr\n0.935762 0.687730 0.879659 Sr\n0.304750 0.059735 0.102746 Ca\n0.308095 0.563379 0.104911 Ca\n0.800793 0.057829 0.104935 Ca\n0.059333 0.791131 0.104334 Ca\n0.001244 0.998531 0.001920 Ti\n0.998100 0.000725 0.500283 Ti\n0.999588 0.499339 0.001348 Ti\n0.997415 0.499496 0.499858 Ti\n0.499611 0.998816 0.999906 Ti\n0.498577 0.002287 0.501750 Ti\n0.498608 0.498134 0.999899 Ti\n0.497748 0.501333 0.501102 Ti\n0.248915 0.251047 0.999673 Ti\n0.248092 0.249524 0.501471 Ti\n0.248639 0.750825 0.999401 Ti\n0.247770 0.749383 0.500489 Ti\n0.749873 0.248996 0.999738 Ti\n0.746930 0.249527 0.501351 Ti\n0.750855 0.751695 0.001666 Ti\n0.746965 0.748523 0.499990 Ti\n0.107144 0.096597 0.245548 Ti\n0.116699 0.117655 0.750776 Ti\n0.115835 0.612348 0.248587 Ti\n0.124713 0.617339 0.750192 Ti\n0.607514 0.113131 0.248153 Ti\n0.618278 0.117023 0.751114 Ti\n0.612343 0.614005 0.248334 Ti\n0.625539 0.617139 0.751227 Ti\n0.369168 0.396540 0.247435 Ti\n0.375160 0.384152 0.751500 Ti\n0.358818 0.892342 0.245902 Ti\n0.366498 0.883416 0.750757 Ti\n0.864818 0.386634 0.248868 Ti\n0.875450 0.382818 0.751220 Ti\n0.859162 0.892412 0.248212 Ti\n0.867738 0.882989 0.751198 Ti\n0.121056 0.123325 0.496747 O\n0.121452 0.120649 0.992928 O\n0.119020 0.620388 0.492568 O\n0.120213 0.622069 0.993802 O\n0.620046 0.122751 0.495859 O\n0.620679 0.119843 0.992110 O\n0.620773 0.623238 0.497615 O\n0.619900 0.620957 0.992507 O\n0.133918 0.384445 0.014466 O\n0.124626 0.376250 0.504058 O\n0.132431 0.881484 0.013748 O\n0.125369 0.877531 0.506339 O\n0.628971 0.377893 0.008438 O\n0.625313 0.378788 0.507414 O\n0.632013 0.882432 0.010245 O\n0.624453 0.877372 0.504895 O\n0.371054 0.123997 0.496856 O\n0.370096 0.120756 0.993866 O\n0.368584 0.621230 0.492165 O\n0.368458 0.620032 0.992652 O\n0.868324 0.121250 0.492991 O\n0.871547 0.118929 0.996043 O\n0.868918 0.620748 0.492164 O\n0.872343 0.623385 0.994971 O\n0.378203 0.380690 0.012065 O\n0.372596 0.376050 0.501633 O\n0.378845 0.881243 0.012124 O\n0.375331 0.878154 0.505205 O\n0.881250 0.379572 0.012815 O\n0.873878 0.376442 0.504731 O\n0.884720 0.881805 0.016963 O\n0.872603 0.874759 0.500264 O\n0.075816 0.090062 0.132665 O\n0.057965 0.075844 0.629005 O\n0.065334 0.594646 0.131700 O\n0.059112 0.577638 0.628621 O\n0.564268 0.085998 0.129572 O\n0.562729 0.077389 0.629784 O\n0.560379 0.580570 0.127491 O\n0.556359 0.576730 0.629480 O\n0.437832 0.419551 0.366027 O\n0.429678 0.415035 0.872278 O\n0.428944 0.927701 0.367164 O\n0.432399 0.916227 0.872464 O\n0.932005 0.413394 0.368018 O\n0.933092 0.417205 0.873840 O\n0.939536 0.925856 0.367923 O\n0.933858 0.915367 0.873960 O\n0.316357 0.283919 0.134090 O\n0.311371 0.303983 0.629288 O\n0.311753 0.785452 0.130414 O\n0.312767 0.800152 0.629208 O\n0.811963 0.283861 0.132177 O\n0.811373 0.299967 0.629866 O\n0.809827 0.794836 0.131181 O\n0.815467 0.802579 0.629433 O\n0.181484 0.188585 0.364817 O\n0.185368 0.205934 0.873664 O\n0.181441 0.702602 0.368918 O\n0.181700 0.705911 0.872921 O\n0.672356 0.199637 0.369252 O\n0.689058 0.203568 0.873284 O\n0.671904 0.692555 0.369631 O\n0.686563 0.706033 0.873618 O\n0.445855 0.033791 0.239463 O\n0.496115 0.002763 0.753701 O\n0.453317 0.536053 0.239403 O\n0.496032 0.506183 0.755188 O\n0.947092 0.039328 0.239384 O\n0.997271 0.002426 0.755118 O\n0.977393 0.511563 0.247111 O\n0.995078 0.504771 0.753146 O\n0.223791 0.479534 0.250034 O\n0.245699 0.500172 0.752338 O\n0.193985 0.950014 0.240765 O\n0.246496 0.002597 0.752181 O\n0.729399 0.489979 0.248078 O\n0.745236 0.497890 0.752537 O\n0.716984 0.984633 0.251885 O\n0.746374 0.999773 0.752517 O\n",
            "nsites": 144,
            "nelements": 4,
            "elements": [
                "Sr",
                "Ca",
                "Ti",
                "O"
            ],
            "chemical_system": "Ca-O-Sr-Ti",
            "density": 4.5341519184867485,
            "density_atomic": 0.07247367103815597,
            "volume": 1986.9284657070402,
            "volume_molar": 8.309418680929603,
            "formula_full": "Sr28 Ca4 Ti32 O80",
            "formula_reduced": "Sr7CaTi8O20",
            "formula_anonymous": "AB7C8D20",
            "energy": -1174.1239904199997,
            "energy_per_atom": -8.15363882236111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1119.16399042,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.6443803,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:33.682000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-557814",
            "created_at": "2022-09-04T14:42:03.922568Z",
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            "nelements": 2,
            "elements": [
                "Si",
                "O"
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            "chemical_system": "O-Si",
            "density": 2.0860349747839497,
            "density_atomic": 0.0627238542486471,
            "volume": 2295.777288002131,
            "volume_molar": 9.60103748747215,
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            "formula_reduced": "SiO2",
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            "band_gap": 1.0636,
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            "is_magnetic": false,
            "total_magnetization": 0.0126978,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:38.171000Z",
            "spacegroup": 223
        },
        {
            "id": "mp-1076197",
            "created_at": "2022-09-04T14:41:53.349105Z",
            "structure_string": "Sr16 Ca16 Mn24 Fe8 O80\n1.0\n-0.000685 -0.010189 11.000553\n11.107525 -0.002078 -0.000431\n-5.556019 15.884647 -5.514081\nSr Ca Mn Fe O\n16 16 24 8 80\ndirect\n0.309959 0.559074 0.611469 Sr\n0.807840 0.056929 0.609356 Sr\n0.810654 0.558200 0.611188 Sr\n0.196045 0.439841 0.386023 Sr\n0.200352 0.443646 0.893448 Sr\n0.697072 0.440106 0.386011 Sr\n0.698732 0.938418 0.386316 Sr\n0.700747 0.941861 0.892871 Sr\n0.060378 0.300693 0.610519 Sr\n0.060155 0.802860 0.610522 Sr\n0.559306 0.303055 0.610780 Sr\n0.559349 0.801480 0.610290 Sr\n0.446303 0.196801 0.386543 Sr\n0.451784 0.199720 0.891257 Sr\n0.947059 0.195000 0.386080 Sr\n0.948675 0.200263 0.892172 Sr\n0.304298 0.061824 0.105440 Ca\n0.306014 0.058784 0.604736 Ca\n0.306307 0.565224 0.107107 Ca\n0.803186 0.062930 0.104829 Ca\n0.806870 0.562646 0.106431 Ca\n0.199875 0.936279 0.391949 Ca\n0.202762 0.937617 0.897874 Ca\n0.703359 0.440935 0.898669 Ca\n0.053257 0.292172 0.105649 Ca\n0.055712 0.792388 0.106205 Ca\n0.553976 0.292033 0.104092 Ca\n0.554811 0.791799 0.104067 Ca\n0.448718 0.703070 0.392373 Ca\n0.450524 0.707938 0.897275 Ca\n0.950164 0.704896 0.391900 Ca\n0.951413 0.708837 0.898655 Ca\n0.004536 0.998819 0.498385 Mn\n0.001921 0.499279 0.497490 Mn\n0.501793 0.498897 0.497149 Mn\n0.257449 0.251554 0.003419 Mn\n0.252321 0.248069 0.497772 Mn\n0.252281 0.748837 0.497586 Mn\n0.752884 0.249546 0.498646 Mn\n0.752581 0.747168 0.496742 Mn\n0.106169 0.088485 0.244398 Mn\n0.118515 0.094362 0.756283 Mn\n0.105575 0.599821 0.245456 Mn\n0.114125 0.604576 0.755821 Mn\n0.604439 0.088698 0.242487 Mn\n0.608659 0.100667 0.749782 Mn\n0.605244 0.594642 0.244521 Mn\n0.613248 0.597804 0.757459 Mn\n0.353179 0.407188 0.242709 Mn\n0.365936 0.405943 0.755038 Mn\n0.353385 0.897092 0.247027 Mn\n0.360350 0.903566 0.753447 Mn\n0.855816 0.406441 0.244742 Mn\n0.860698 0.411865 0.757756 Mn\n0.858967 0.895016 0.242854 Mn\n0.867973 0.901374 0.753625 Mn\n0.008709 0.001069 0.003624 Fe\n0.006899 0.501628 0.002989 Fe\n0.506608 0.001264 0.003222 Fe\n0.501811 0.998925 0.498167 Fe\n0.507059 0.501776 0.003017 Fe\n0.257045 0.752449 0.003256 Fe\n0.757690 0.253677 0.004826 Fe\n0.757219 0.750137 0.001922 Fe\n0.128282 0.118550 0.494350 O\n0.131667 0.123630 0.995440 O\n0.121479 0.624068 0.489816 O\n0.125082 0.625323 0.993835 O\n0.625251 0.123188 0.494906 O\n0.628126 0.125697 0.997785 O\n0.620810 0.622081 0.490811 O\n0.625198 0.620735 0.990101 O\n0.139014 0.379832 0.015787 O\n0.130343 0.375041 0.503439 O\n0.136827 0.880094 0.011603 O\n0.130455 0.876564 0.499628 O\n0.637563 0.383275 0.015174 O\n0.627861 0.375931 0.501011 O\n0.634736 0.878037 0.013205 O\n0.626211 0.871185 0.498568 O\n0.370925 0.118194 0.492892 O\n0.373336 0.120881 0.994042 O\n0.375655 0.622699 0.492089 O\n0.379244 0.624391 0.995312 O\n0.877109 0.121835 0.496759 O\n0.879365 0.122222 0.996306 O\n0.874526 0.623062 0.492323 O\n0.875564 0.618724 0.990321 O\n0.384668 0.382009 0.013562 O\n0.378985 0.376612 0.502016 O\n0.385826 0.884279 0.013607 O\n0.377235 0.877513 0.502923 O\n0.884689 0.384302 0.012170 O\n0.877692 0.375219 0.501743 O\n0.889220 0.882766 0.014979 O\n0.880744 0.874487 0.500400 O\n0.090872 0.092905 0.135515 O\n0.088180 0.077908 0.642107 O\n0.078008 0.594848 0.133383 O\n0.070953 0.582575 0.640074 O\n0.580855 0.095024 0.133826 O\n0.572606 0.077276 0.632328 O\n0.577157 0.595374 0.133491 O\n0.575504 0.578931 0.642273 O\n0.428917 0.415940 0.354856 O\n0.444069 0.414390 0.868969 O\n0.434731 0.916325 0.363258 O\n0.446752 0.914825 0.868920 O\n0.930260 0.416891 0.357579 O\n0.946084 0.413660 0.869361 O\n0.937222 0.914461 0.357648 O\n0.950242 0.911487 0.869660 O\n0.332928 0.293274 0.131900 O\n0.329923 0.304564 0.640942 O\n0.326602 0.790191 0.135701 O\n0.319609 0.803770 0.638830 O\n0.838569 0.293792 0.135465 O\n0.824857 0.315454 0.642913 O\n0.833844 0.784539 0.132437 O\n0.823637 0.806451 0.637323 O\n0.180856 0.188978 0.358114 O\n0.194359 0.204827 0.872019 O\n0.190085 0.696939 0.358827 O\n0.203386 0.708836 0.869320 O\n0.682083 0.183844 0.357256 O\n0.685719 0.206366 0.866250 O\n0.690227 0.687789 0.358046 O\n0.702687 0.705786 0.868552 O\n0.427495 0.059109 0.239606 O\n0.427191 0.066516 0.744425 O\n0.428269 0.577664 0.246980 O\n0.439628 0.579820 0.761149 O\n0.928145 0.061739 0.237623 O\n0.941731 0.067154 0.751674 O\n0.929512 0.577061 0.247607 O\n0.940838 0.579030 0.762581 O\n0.176041 0.428555 0.238663 O\n0.191761 0.439291 0.753007 O\n0.177050 0.918862 0.247055 O\n0.186806 0.927314 0.761520 O\n0.676130 0.425118 0.237495 O\n0.685633 0.430303 0.761335 O\n0.681234 0.922087 0.238123 O\n0.692324 0.941775 0.753395 O\n",
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            "nelements": 5,
            "elements": [
                "Sr",
                "Ca",
                "Mn",
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            "chemical_system": "Ca-Fe-Mn-O-Sr",
            "density": 4.35500302025415,
            "density_atomic": 0.0742200430365589,
            "volume": 1940.1767246223408,
            "volume_molar": 8.113900927049647,
            "formula_full": "Sr16 Ca16 Mn24 Fe8 O80",
            "formula_reduced": "Sr2Ca2Mn3FeO10",
            "formula_anonymous": "AB2C2D3E10",
            "energy": -1101.80955559,
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            "updated_at": "2021-11-28T01:35:35.003000Z",
            "spacegroup": 1
        }
    ]
}