{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=83","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=81","results":[{"id":"mp-765753","created_at":"2022-09-04T14:48:25.913432Z","structure_string":"Na4 Mn4 O16\n1.0\n8.495046 0.000000 0.000000\n0.000000 5.735180 0.000000\n0.000000 5.468949 7.217009\nNa Mn O\n4 4 16\ndirect\n0.532729 0.912956 0.336299 Na\n0.032729 0.087044 0.163701 Na\n0.967271 0.912956 0.836299 Na\n0.467271 0.087044 0.663701 Na\n0.687543 0.405739 0.837928 Mn\n0.187543 0.594261 0.662072 Mn\n0.812457 0.405739 0.337928 Mn\n0.312457 0.594261 0.162072 Mn\n0.775583 0.726056 0.283618 O\n0.618870 0.439936 0.658384 O\n0.847344 0.210833 0.907519 O\n0.058945 0.755437 0.497923 O\n0.558945 0.244563 0.002077 O\n0.347344 0.789167 0.592481 O\n0.118870 0.560064 0.841616 O\n0.724417 0.726056 0.783618 O\n0.275583 0.273944 0.216382 O\n0.881130 0.439936 0.158384 O\n0.652656 0.210833 0.407519 O\n0.441055 0.755437 0.997923 O\n0.941055 0.244563 0.502077 O\n0.152656 0.789167 0.092481 O\n0.381130 0.560064 0.341616 O\n0.224417 0.273944 0.716382 O\n","nsites":24,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":2.6810148822055546,"density_atomic":0.0682560586676465,"volume":351.617138001788,"volume_molar":8.822866244479636,"formula_full":"Na4 Mn4 O16","formula_reduced":"NaMnO4","formula_anonymous":"ABC4","energy":-154.29328907,"energy_per_atom":-6.428887044583333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.62928907,"band_gap":1.4723,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028996,"is_theoretical":true,"updated_at":"2021-11-28T01:39:16.233000Z","spacegroup":14},{"id":"mp-1246042","created_at":"2022-09-04T14:48:25.918531Z","structure_string":"Ca12 Cr8 N16\n1.0\n5.599273 0.000000 0.000000\n0.000000 9.654575 0.000000\n0.000000 0.000000 9.097562\nCa Cr N\n12 8 16\ndirect\n0.618689 0.155822 0.418446 Ca\n0.881311 0.844178 0.418446 Ca\n0.618689 0.344178 0.081554 Ca\n0.881311 0.655822 0.081554 Ca\n0.381311 0.844178 0.581554 Ca\n0.118689 0.155822 0.581554 Ca\n0.381311 0.655822 0.918446 Ca\n0.118689 0.344178 0.918446 Ca\n0.750000 0.500000 0.402028 Ca\n0.750000 0.000000 0.097972 Ca\n0.250000 0.500000 0.597972 Ca\n0.250000 0.000000 0.902028 Ca\n0.750000 0.500000 0.734773 Cr\n0.750000 0.000000 0.765227 Cr\n0.250000 0.500000 0.265227 Cr\n0.250000 0.000000 0.234773 Cr\n0.652831 0.250000 0.750000 Cr\n0.847169 0.750000 0.750000 Cr\n0.347169 0.750000 0.250000 Cr\n0.152831 0.250000 0.250000 Cr\n0.867976 0.351549 0.624476 N\n0.632024 0.648451 0.624476 N\n0.867976 0.148451 0.875524 N\n0.632024 0.851549 0.875524 N\n0.132024 0.648451 0.375524 N\n0.367976 0.351549 0.375524 N\n0.132024 0.851549 0.124476 N\n0.367976 0.148451 0.124476 N\n0.506958 0.411702 0.837250 N\n0.993042 0.588298 0.837250 N\n0.506958 0.088298 0.662750 N\n0.993042 0.911702 0.662750 N\n0.493042 0.588298 0.162750 N\n0.006958 0.411702 0.162750 N\n0.493042 0.911702 0.337250 N\n0.006958 0.088298 0.337250 N\n","nsites":36,"nelements":3,"elements":["Ca","Cr","N"],"chemical_system":"Ca-Cr-N","density":3.785031793103029,"density_atomic":0.07320026840860537,"volume":491.8014753586322,"volume_molar":8.226938084959318,"formula_full":"Ca12 Cr8 N16","formula_reduced":"Ca3(CrN2)2","formula_anonymous":"A2B3C4","energy":-270.25561062,"energy_per_atom":-7.507100295000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-264.47961062,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.1415797,"is_theoretical":true,"updated_at":"2021-11-28T01:39:27.742000Z","spacegroup":52},{"id":"mp-754273","created_at":"2022-09-04T14:48:25.931643Z","structure_string":"Li3 Co1 Cu4 O8\n1.0\n2.829563 5.329108 0.000000\n-2.829563 5.329108 0.000000\n0.000000 2.711200 4.838123\nLi Co Cu O\n3 1 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.294724 0.294724 0.237806 O\n0.242872 0.703496 0.771887 O\n0.703496 0.242872 0.771887 O\n0.794024 0.794024 0.241450 O\n0.205976 0.205976 0.758550 O\n0.296504 0.757128 0.228113 O\n0.757128 0.296504 0.228113 O\n0.705276 0.705276 0.762194 O\n","nsites":16,"nelements":4,"elements":["Li","Co","Cu","O"],"chemical_system":"Co-Cu-Li-O","density":5.257140058187038,"density_atomic":0.1096577150105683,"volume":145.90856647394116,"volume_molar":5.491762033724315,"formula_full":"Li3 Co1 Cu4 O8","formula_reduced":"Li3Co(CuO2)4","formula_anonymous":"AB3C4D8","energy":-90.52270141,"energy_per_atom":-5.657668838125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.38870141,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2776637,"is_theoretical":true,"updated_at":"2021-11-28T01:39:19.293000Z","spacegroup":12},{"id":"mp-1110968","created_at":"2022-09-04T14:48:25.933151Z","structure_string":"Cs2 Na1 Mo1 F6\n1.0\n6.379270 0.000007 0.000005\n3.189642 5.524607 0.000005\n3.189642 1.841540 5.208646\nCs Na Mo F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.232094 0.767907 0.232094 F\n0.767906 0.767906 0.232093 F\n0.767906 0.232093 0.767906 F\n0.767907 0.232094 0.232094 F\n0.232093 0.767906 0.767907 F\n0.232094 0.232094 0.767907 F\n","nsites":10,"nelements":4,"elements":["Cs","Na","Mo","F"],"chemical_system":"Cs-F-Mo-Na","density":4.511478368883013,"density_atomic":0.054475765002524525,"volume":183.56786728073627,"volume_molar":11.05471535777592,"formula_full":"Cs2 Na1 Mo1 F6","formula_reduced":"Cs2NaMoF6","formula_anonymous":"ABC2D6","energy":-55.199752720000006,"energy_per_atom":-5.519975272000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-49.22575272,"band_gap":4.3824000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9999947,"is_theoretical":true,"updated_at":"2021-11-28T01:39:45.858000Z","spacegroup":225},{"id":"mp-1220653","created_at":"2022-09-04T14:48:25.935026Z","structure_string":"Rb6 Ga10 Se20 O61\n1.0\n10.990398 0.000000 0.000000\n3.858326 12.192195 0.000000\n1.114115 0.390005 12.900085\nRb Ga Se O\n6 10 20 61\ndirect\n0.739429 0.443405 0.946297 Rb\n0.260638 0.556850 0.053531 Rb\n0.505021 0.002603 0.821191 Rb\n0.495362 0.996602 0.179938 Rb\n0.824274 0.922124 0.452764 Rb\n0.176248 0.075609 0.546581 Rb\n0.803188 0.682053 0.726630 Ga\n0.196703 0.318360 0.272209 Ga\n0.821367 0.675394 0.220507 Ga\n0.178262 0.325285 0.780475 Ga\n0.490189 0.265179 0.001660 Ga\n0.510044 0.734637 0.998404 Ga\n0.806110 0.176108 0.228620 Ga\n0.193913 0.823715 0.771590 Ga\n0.802091 0.181502 0.732986 Ga\n0.197702 0.818493 0.266858 Ga\n0.483209 0.327410 0.757085 Se\n0.516898 0.672821 0.243012 Se\n0.760851 0.652109 0.477691 Se\n0.237600 0.347941 0.522641 Se\n0.889095 0.407435 0.223275 Se\n0.110744 0.592708 0.776678 Se\n0.503786 0.674951 0.759197 Se\n0.496289 0.325286 0.240772 Se\n0.806847 0.729445 0.974488 Se\n0.193301 0.270398 0.025487 Se\n0.784648 0.131181 0.987097 Se\n0.215423 0.868870 0.012883 Se\n0.793282 0.231126 0.474942 Se\n0.207473 0.769087 0.525309 Se\n0.892048 0.912210 0.721768 Se\n0.107793 0.087726 0.278434 Se\n0.897020 0.409575 0.677910 Se\n0.102820 0.590713 0.322028 Se\n0.917367 0.907965 0.169376 Se\n0.082631 0.092169 0.830436 Se\n0.784266 0.534966 0.707061 O\n0.215638 0.464905 0.293485 O\n0.612040 0.213212 0.733891 O\n0.387676 0.787142 0.265987 O\n0.797607 0.031580 0.779838 O\n0.202294 0.968549 0.220151 O\n0.785715 0.333353 0.264711 O\n0.214423 0.666508 0.735159 O\n0.795098 0.217909 0.882739 O\n0.204900 0.782131 0.117218 O\n0.602137 0.676139 0.477022 O\n0.393304 0.332859 0.523250 O\n0.787197 0.336307 0.698505 O\n0.213028 0.663576 0.301277 O\n0.792866 0.726607 0.572609 O\n0.207151 0.273679 0.427159 O\n0.788900 0.836272 0.758474 O\n0.211079 0.163841 0.241930 O\n0.797358 0.023832 0.210358 O\n0.202544 0.976298 0.789828 O\n0.063648 0.740221 0.517607 O\n0.937515 0.259287 0.482110 O\n0.817957 0.715634 0.371216 O\n0.181757 0.284208 0.629115 O\n0.830436 0.134553 0.380096 O\n0.168629 0.865559 0.620339 O\n0.379722 0.792561 0.745981 O\n0.620109 0.207734 0.254375 O\n0.821598 0.137690 0.581087 O\n0.177148 0.862372 0.419066 O\n0.007050 0.363614 0.310532 O\n0.993181 0.636304 0.689382 O\n0.370920 0.257998 0.771071 O\n0.628943 0.742164 0.228181 O\n0.823334 0.631733 0.074230 O\n0.176796 0.368368 0.926005 O\n0.823500 0.638023 0.877305 O\n0.176616 0.362066 0.122428 O\n0.493926 0.360237 0.887673 O\n0.505603 0.639749 0.112518 O\n0.358651 0.199270 0.016552 O\n0.641274 0.800701 0.983423 O\n0.787469 0.222986 0.078477 O\n0.212459 0.776976 0.921565 O\n0.504246 0.640136 0.894560 O\n0.495627 0.359790 0.105419 O\n0.007496 0.862858 0.810001 O\n0.992606 0.137254 0.190128 O\n0.984540 0.380641 0.786981 O\n0.015596 0.619180 0.212995 O\n0.798264 0.532005 0.271711 O\n0.201378 0.467932 0.727977 O\n0.622714 0.131917 0.996102 O\n0.377293 0.868024 0.003873 O\n0.003139 0.867697 0.278093 O\n0.996978 0.132241 0.721802 O\n0.181719 0.174879 0.827587 O\n0.818405 0.825317 0.171845 O\n0.616457 0.742891 0.744730 O\n0.383480 0.257265 0.255726 O\n0.478033 0.893556 0.484234 O\n","nsites":97,"nelements":4,"elements":["Rb","Ga","Se","O"],"chemical_system":"Ga-O-Rb-Se","density":3.617006411081869,"density_atomic":0.05611562990073764,"volume":1728.5736642639904,"volume_molar":10.731663835285289,"formula_full":"Rb6 Ga10 Se20 O61","formula_reduced":"Rb6Ga10Se20O61","formula_anonymous":"A6B10C20D61","energy":-556.27535364,"energy_per_atom":-5.734797460206186,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-514.36835364,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.05813,"is_theoretical":true,"updated_at":"2021-11-28T01:39:13.854000Z","spacegroup":1},{"id":"mp-1207812","created_at":"2022-09-04T14:48:25.980386Z","structure_string":"Y12 Os5 C15\n1.0\n0.000000 0.000000 -5.089303\n-5.370377 -9.301767 0.000000\n-5.370377 9.301767 0.000000\nY Os C\n12 5 15\ndirect\n0.500000 0.206667 0.206667 Y\n0.500000 0.000000 0.793333 Y\n0.500000 0.793333 0.000000 Y\n0.000000 0.727230 0.183476 Y\n0.000000 0.456247 0.272770 Y\n0.000000 0.543753 0.816524 Y\n0.000000 0.816524 0.543753 Y\n0.000000 0.183476 0.727230 Y\n0.000000 0.272770 0.456247 Y\n0.500000 0.565923 0.565923 Y\n0.500000 0.000000 0.434077 Y\n0.500000 0.434077 0.000000 Y\n0.000000 0.838655 0.838655 Os\n0.000000 0.000000 0.161345 Os\n0.000000 0.161345 0.000000 Os\n0.500000 0.666667 0.333333 Os\n0.500000 0.333333 0.666667 Os\n0.000000 0.663998 0.663998 C\n0.000000 0.000000 0.336002 C\n0.000000 0.336002 0.000000 C\n0.000000 0.206983 0.206983 C\n0.000000 0.000000 0.793017 C\n0.000000 0.793017 0.000000 C\n0.000000 0.539113 0.539113 C\n0.000000 0.000000 0.460887 C\n0.000000 0.460887 0.000000 C\n0.500000 0.716784 0.185211 C\n0.500000 0.468427 0.283216 C\n0.500000 0.531573 0.814789 C\n0.500000 0.814789 0.531573 C\n0.500000 0.185211 0.716784 C\n0.500000 0.283216 0.468427 C\n","nsites":32,"nelements":3,"elements":["Y","Os","C"],"chemical_system":"C-Os-Y","density":7.178834698753614,"density_atomic":0.0629348851090999,"volume":508.46203889189337,"volume_molar":9.568843654136176,"formula_full":"Y12 Os5 C15","formula_reduced":"Y12(OsC3)5","formula_anonymous":"A5B12C15","energy":-283.21858496,"energy_per_atom":-8.85058078,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-283.21858496,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.1419665,"is_theoretical":true,"updated_at":"2021-11-28T01:39:38.989000Z","spacegroup":189},{"id":"mp-1198363","created_at":"2022-09-04T14:48:25.936841Z","structure_string":"K8 U4 H16 C16 S4 N4 O40\n1.0\n15.120840 0.000000 0.000000\n0.000000 8.116682 0.000000\n0.000000 6.541349 11.195409\nK U H C S N O\n8 4 16 16 4 4 40\ndirect\n0.191560 0.710792 0.243132 K\n0.308440 0.710792 0.743132 K\n0.808440 0.289208 0.756868 K\n0.691560 0.289208 0.256868 K\n0.124061 0.311311 0.112444 K\n0.375939 0.311311 0.612444 K\n0.875939 0.688689 0.887556 K\n0.624061 0.688689 0.387556 K\n0.418698 0.122535 0.181455 U\n0.081302 0.122535 0.681455 U\n0.581302 0.877465 0.818545 U\n0.918698 0.877465 0.318545 U\n0.256236 0.276889 0.325005 H\n0.243764 0.276889 0.825005 H\n0.743764 0.723111 0.674995 H\n0.756236 0.723111 0.174995 H\n0.158451 0.289171 0.363489 H\n0.341549 0.289171 0.863489 H\n0.841549 0.710829 0.636511 H\n0.658451 0.710829 0.136511 H\n0.100197 0.619982 0.851276 H\n0.399803 0.619982 0.351276 H\n0.899803 0.380018 0.148724 H\n0.600197 0.380018 0.648724 H\n0.110401 0.442687 0.834504 H\n0.389599 0.442687 0.334504 H\n0.889599 0.557313 0.165496 H\n0.610401 0.557313 0.665496 H\n0.333639 0.597279 0.037499 C\n0.166361 0.597279 0.537499 C\n0.666361 0.402721 0.962501 C\n0.833639 0.402721 0.462501 C\n0.423452 0.827301 0.472831 C\n0.076548 0.827301 0.972831 C\n0.576548 0.172699 0.527169 C\n0.923452 0.172699 0.027169 C\n0.388764 0.019188 0.458620 C\n0.111236 0.019188 0.958620 C\n0.611236 0.980812 0.541380 C\n0.888764 0.980812 0.041380 C\n0.516218 0.905291 0.053249 C\n0.983782 0.905291 0.553249 C\n0.483782 0.094709 0.946751 C\n0.016218 0.094709 0.446751 C\n0.305215 0.816727 0.980033 S\n0.194785 0.816727 0.480033 S\n0.694785 0.183273 0.019967 S\n0.805215 0.183273 0.519967 S\n0.353795 0.433652 0.079195 N\n0.146205 0.433652 0.579195 N\n0.646205 0.566348 0.920805 N\n0.853795 0.566348 0.420805 N\n0.311291 0.023331 0.179633 O\n0.188709 0.023331 0.679633 O\n0.688709 0.976669 0.820367 O\n0.811291 0.976669 0.320367 O\n0.526282 0.218271 0.184255 O\n0.973718 0.218271 0.684255 O\n0.473718 0.781729 0.815745 O\n0.026282 0.781729 0.315745 O\n0.445788 0.840134 0.372134 O\n0.054212 0.840134 0.872134 O\n0.554212 0.159866 0.627866 O\n0.945788 0.159866 0.127866 O\n0.376239 0.152353 0.347928 O\n0.123761 0.152353 0.847928 O\n0.623761 0.847647 0.652072 O\n0.876239 0.847647 0.152072 O\n0.427458 0.681133 0.572685 O\n0.072542 0.681133 0.072685 O\n0.572542 0.318867 0.427315 O\n0.927458 0.318867 0.927315 O\n0.375200 0.035345 0.547240 O\n0.124800 0.035345 0.047240 O\n0.624800 0.964655 0.452760 O\n0.875200 0.964655 0.952760 O\n0.498250 0.873648 0.156791 O\n0.001750 0.873648 0.656791 O\n0.501750 0.126352 0.843209 O\n0.998250 0.126352 0.343209 O\n0.440311 0.203794 0.972384 O\n0.059689 0.203794 0.472384 O\n0.559689 0.796206 0.027616 O\n0.940311 0.796206 0.527616 O\n0.198317 0.335942 0.294454 O\n0.301683 0.335942 0.794454 O\n0.801683 0.664058 0.705546 O\n0.698317 0.664058 0.205546 O\n0.142137 0.522265 0.859069 O\n0.357863 0.522265 0.359069 O\n0.857863 0.477735 0.140931 O\n0.642137 0.477735 0.640931 O\n","nsites":92,"nelements":7,"elements":["K","U","H","C","S","N","O"],"chemical_system":"C-H-K-N-O-S-U","density":2.7765354645670346,"density_atomic":0.06695660330981401,"volume":1374.0243001023814,"volume_molar":8.994095372692417,"formula_full":"K8 U4 H16 C16 S4 N4 O40","formula_reduced":"K2UH4C4SNO10","formula_anonymous":"ABCD2E4F4G10","energy":-664.2128482300001,"energy_per_atom":-7.219704872065218,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-633.27684823,"band_gap":1.6629,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029959,"is_theoretical":false,"updated_at":"2021-11-28T01:39:42.124000Z","spacegroup":14},{"id":"mp-1026470","created_at":"2022-09-04T14:48:25.946981Z","structure_string":"Hf1 Mg14 Cr1\n1.0\n6.346770 -0.000000 -0.000000\n-3.173385 5.496463 -0.000000\n0.000000 0.000000 10.150449\nHf Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.166678 0.833339 0.125000 Mg\n0.172094 0.836047 0.625000 Mg\n0.666661 0.333322 0.125000 Mg\n0.663953 0.327906 0.625000 Mg\n0.666661 0.833339 0.125000 Mg\n0.663953 0.836047 0.625000 Mg\n0.329462 0.170538 0.373611 Mg\n0.329462 0.170538 0.876389 Mg\n0.329462 0.658925 0.373611 Mg\n0.329462 0.658925 0.876389 Mg\n0.841075 0.170538 0.373611 Mg\n0.841075 0.170538 0.876389 Mg\n0.833333 0.666667 0.377412 Mg\n0.833333 0.666667 0.872588 Mg\n0.166667 0.333333 0.125000 Cr\n","nsites":16,"nelements":3,"elements":["Hf","Mg","Cr"],"chemical_system":"Cr-Hf-Mg","density":2.6765683406576537,"density_atomic":0.04518545503207494,"volume":354.0962459854036,"volume_molar":13.327608974448033,"formula_full":"Hf1 Mg14 Cr1","formula_reduced":"HfMg14Cr","formula_anonymous":"ABC14","energy":-40.06871995,"energy_per_atom":-2.504294996875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.06871995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.0682522,"is_theoretical":true,"updated_at":"2021-11-28T01:39:43.197000Z","spacegroup":187},{"id":"mp-1246185","created_at":"2022-09-04T14:48:25.952785Z","structure_string":"Rb16 Ir16 N32\n1.0\n5.829181 0.000000 0.000000\n0.000000 11.733554 0.000000\n0.000000 0.000000 17.244201\nRb Ir N\n16 16 32\ndirect\n0.249289 0.010994 0.437327 Rb\n0.749289 0.489006 0.562673 Rb\n0.750711 0.510994 0.062673 Rb\n0.250711 0.989006 0.937327 Rb\n0.750711 0.989006 0.562673 Rb\n0.250711 0.510994 0.437327 Rb\n0.249289 0.489006 0.937327 Rb\n0.749289 0.010994 0.062673 Rb\n0.325369 0.261734 0.314165 Rb\n0.825369 0.238266 0.685835 Rb\n0.674631 0.761734 0.185835 Rb\n0.174631 0.738266 0.814165 Rb\n0.674631 0.738266 0.685835 Rb\n0.174631 0.761734 0.314165 Rb\n0.325369 0.238266 0.814165 Rb\n0.825369 0.261734 0.185835 Rb\n0.752193 0.010357 0.310676 Ir\n0.252193 0.489643 0.689324 Ir\n0.247807 0.510357 0.189324 Ir\n0.747807 0.989643 0.810676 Ir\n0.247807 0.989643 0.689324 Ir\n0.747807 0.510357 0.310676 Ir\n0.752193 0.489643 0.810676 Ir\n0.252193 0.010357 0.189324 Ir\n0.804658 0.259918 0.435858 Ir\n0.304658 0.240082 0.564142 Ir\n0.195342 0.759918 0.064142 Ir\n0.695342 0.740082 0.935858 Ir\n0.195342 0.740082 0.564142 Ir\n0.695342 0.759918 0.435858 Ir\n0.804658 0.240082 0.935858 Ir\n0.304658 0.259918 0.064142 Ir\n0.076898 0.291117 0.492768 N\n0.576898 0.208883 0.507232 N\n0.923102 0.791117 0.007232 N\n0.423102 0.708883 0.992768 N\n0.923102 0.708883 0.507232 N\n0.423102 0.791117 0.492768 N\n0.076898 0.208883 0.992768 N\n0.576898 0.291117 0.007232 N\n0.702643 0.404592 0.393789 N\n0.202643 0.095408 0.606211 N\n0.297357 0.904592 0.106211 N\n0.797357 0.595408 0.893789 N\n0.297357 0.595408 0.606211 N\n0.797357 0.904592 0.393789 N\n0.702643 0.095408 0.893789 N\n0.202643 0.404592 0.106211 N\n0.825793 0.157288 0.349770 N\n0.325793 0.342712 0.650230 N\n0.174207 0.657288 0.150230 N\n0.674207 0.842712 0.849770 N\n0.174207 0.842712 0.650230 N\n0.674207 0.657288 0.349770 N\n0.825793 0.342712 0.849770 N\n0.325793 0.157288 0.150230 N\n0.559116 0.481200 0.221534 N\n0.059116 0.018800 0.778466 N\n0.440884 0.981200 0.278466 N\n0.940884 0.518800 0.721534 N\n0.440884 0.518800 0.778466 N\n0.940884 0.981200 0.221534 N\n0.559116 0.018800 0.721534 N\n0.059116 0.481200 0.278466 N\n","nsites":64,"nelements":3,"elements":["Rb","Ir","N"],"chemical_system":"Ir-N-Rb","density":6.8862338718326885,"density_atomic":0.0542624977141342,"volume":1179.451788916259,"volume_molar":11.098163582011747,"formula_full":"Rb16 Ir16 N32","formula_reduced":"RbIrN2","formula_anonymous":"ABC2","energy":-412.13504731,"energy_per_atom":-6.43961011421875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-400.58304731,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.021125,"is_theoretical":true,"updated_at":"2021-11-28T01:39:07.524000Z","spacegroup":61},{"id":"mp-1041075","created_at":"2022-09-04T14:48:25.955821Z","structure_string":"Mg4 Ni8 P8 O32\n1.0\n2.469815 8.532201 0.000000\n-2.469815 8.532201 0.000000\n0.000000 8.203609 14.139929\nMg Ni P O\n4 8 8 32\ndirect\n0.443023 0.855743 0.373449 Mg\n0.144257 0.556977 0.126551 Mg\n0.855743 0.443023 0.873449 Mg\n0.556977 0.144257 0.626551 Mg\n0.200443 0.603541 0.469315 Ni\n0.396459 0.799557 0.030685 Ni\n0.799557 0.396459 0.530685 Ni\n0.500000 0.000000 0.500000 Ni\n0.603541 0.200443 0.969315 Ni\n0.609836 0.390164 0.750000 Ni\n0.390164 0.609836 0.250000 Ni\n0.000000 0.500000 0.000000 Ni\n0.068783 0.510840 0.358145 P\n0.777345 0.178122 0.113433 P\n0.931217 0.489160 0.641855 P\n0.178122 0.777345 0.613433 P\n0.510840 0.068783 0.858145 P\n0.489160 0.931217 0.141855 P\n0.222655 0.821878 0.886567 P\n0.821878 0.222655 0.386567 P\n0.705025 0.813733 0.603391 O\n0.774433 0.408157 0.413458 O\n0.813733 0.705025 0.103391 O\n0.795050 0.359809 0.037066 O\n0.207009 0.338013 0.562433 O\n0.635973 0.263563 0.210027 O\n0.640191 0.204950 0.462934 O\n0.858841 0.089467 0.610703 O\n0.204950 0.640191 0.962934 O\n0.591843 0.225567 0.086542 O\n0.845680 0.391580 0.642406 O\n0.592794 0.003283 0.764571 O\n0.225567 0.591843 0.586542 O\n0.089467 0.858841 0.110703 O\n0.294975 0.186267 0.396609 O\n0.154320 0.608420 0.357594 O\n0.003283 0.592794 0.264571 O\n0.359809 0.795050 0.537066 O\n0.391580 0.845680 0.142406 O\n0.407206 0.996717 0.235429 O\n0.910533 0.141159 0.889297 O\n0.338013 0.207009 0.062433 O\n0.141159 0.910533 0.389297 O\n0.263563 0.635973 0.710027 O\n0.408157 0.774433 0.913458 O\n0.186267 0.294975 0.896609 O\n0.996717 0.407206 0.735429 O\n0.661987 0.792991 0.937567 O\n0.792991 0.661987 0.437567 O\n0.736437 0.364027 0.289973 O\n0.364027 0.736437 0.789973 O\n0.608420 0.154320 0.857594 O\n","nsites":52,"nelements":4,"elements":["Mg","Ni","P","O"],"chemical_system":"Mg-Ni-O-P","density":3.696290515504539,"density_atomic":0.08725706831562523,"volume":595.9402602423705,"volume_molar":6.901607945635745,"formula_full":"Mg4 Ni8 P8 O32","formula_reduced":"MgNi2(PO4)2","formula_anonymous":"AB2C2D8","energy":-377.77635343,"energy_per_atom":-7.264929873653846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.46435343,"band_gap":3.1186,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999147,"is_theoretical":true,"updated_at":"2021-11-28T01:39:34.650000Z","spacegroup":15},{"id":"mp-7574","created_at":"2022-09-04T14:48:25.970325Z","structure_string":"Al2 B2 Mo2\n1.0\n1.613775 -7.014603 0.000000\n1.613775 7.014603 0.000000\n0.000000 0.000000 3.113223\nAl B Mo\n2 2 2\ndirect\n0.698490 0.301510 0.750000 Al\n0.301510 0.698490 0.250000 Al\n0.466654 0.533346 0.250000 B\n0.533346 0.466654 0.750000 B\n0.089402 0.910598 0.250000 Mo\n0.910598 0.089402 0.750000 Mo\n","nsites":6,"nelements":3,"elements":["Al","B","Mo"],"chemical_system":"Al-B-Mo","density":6.301295930275863,"density_atomic":0.08512653271875488,"volume":70.48331241004597,"volume_molar":7.074340476072528,"formula_full":"Al2 B2 Mo2","formula_reduced":"AlBMo","formula_anonymous":"ABC","energy":-45.24105473,"energy_per_atom":-7.540175788333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.24105473,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.8e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:39:22.046000Z","spacegroup":63},{"id":"mp-1227915","created_at":"2022-09-04T14:48:25.973669Z","structure_string":"Ce4 Cu22 Au2\n1.0\n5.043703 0.000000 0.000000\n0.000000 8.143809 0.000000\n0.000000 0.000000 10.272225\nCe Cu Au\n4 22 2\ndirect\n0.500000 0.240006 0.812869 Ce\n0.500000 0.740006 0.187131 Ce\n0.000000 0.759905 0.683009 Ce\n0.000000 0.259905 0.316991 Ce\n0.500000 0.684252 0.498934 Cu\n0.500000 0.184252 0.501066 Cu\n0.000000 0.314826 0.998295 Cu\n0.000000 0.814826 0.001705 Cu\n0.500000 0.945127 0.644050 Cu\n0.500000 0.445127 0.355950 Cu\n0.000000 0.059740 0.848015 Cu\n0.000000 0.559740 0.151985 Cu\n0.749599 0.064683 0.062802 Cu\n0.250401 0.564683 0.937198 Cu\n0.242749 0.934262 0.440013 Cu\n0.757251 0.434262 0.559987 Cu\n0.757251 0.934262 0.440013 Cu\n0.242749 0.434262 0.559987 Cu\n0.250401 0.064683 0.062802 Cu\n0.749599 0.564683 0.937198 Cu\n0.500000 0.590066 0.732428 Cu\n0.500000 0.090066 0.267572 Cu\n0.000000 0.404093 0.763998 Cu\n0.000000 0.904093 0.236002 Cu\n0.000000 0.644175 0.389707 Cu\n0.000000 0.144175 0.610293 Cu\n0.500000 0.359919 0.110838 Au\n0.500000 0.859919 0.889162 Au\n","nsites":28,"nelements":3,"elements":["Ce","Cu","Au"],"chemical_system":"Au-Ce-Cu","density":9.25806759247394,"density_atomic":0.06636153503790325,"volume":421.9311681685398,"volume_molar":9.07474602050778,"formula_full":"Ce4 Cu22 Au2","formula_reduced":"Ce2Cu11Au","formula_anonymous":"AB2C11","energy":-125.05612548,"energy_per_atom":-4.4662901957142855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.05612548,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4185918,"is_theoretical":true,"updated_at":"2021-11-28T01:39:05.311000Z","spacegroup":26}]}