{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10264","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=10262","results":[{"id":"mp-772540","created_at":"2022-09-04T14:45:10.840134Z","structure_string":"La16 Mn15 O48\n1.0\n5.534025 0.000000 0.000000\n2.506905 12.172799 0.000000\n2.675014 0.590381 14.568988\nLa Mn O\n16 15 48\ndirect\n0.847121 0.090340 0.205342 La\n0.404288 0.143590 0.027254 La\n0.280620 0.032315 0.405371 La\n0.656231 0.404772 0.280455 La\n0.218551 0.467837 0.093733 La\n0.964140 0.207619 0.853199 La\n0.530080 0.281155 0.656994 La\n0.906605 0.656639 0.531604 La\n0.093395 0.343361 0.468396 La\n0.469920 0.718845 0.343006 La\n0.035860 0.792381 0.146801 La\n0.781449 0.532163 0.906267 La\n0.719380 0.967685 0.594629 La\n0.343769 0.595228 0.719545 La\n0.595712 0.856410 0.972746 La\n0.152879 0.909660 0.794658 La\n0.811316 0.313066 0.062414 Mn\n0.688595 0.186622 0.436222 Mn\n0.251038 0.249608 0.249945 Mn\n0.625818 0.625155 0.125113 Mn\n0.876636 0.874136 0.374439 Mn\n0.562807 0.063479 0.810190 Mn\n0.937719 0.436157 0.688624 Mn\n0.123364 0.125864 0.625561 Mn\n0.500000 0.500000 0.500000 Mn\n0.062281 0.563843 0.311376 Mn\n0.437193 0.936521 0.189810 Mn\n0.374182 0.374845 0.874887 Mn\n0.311405 0.813378 0.563778 Mn\n0.748962 0.750392 0.750055 Mn\n0.188684 0.686934 0.937586 Mn\n0.885397 0.160056 0.053645 O\n0.981449 0.300115 0.172835 O\n0.731499 0.475310 0.067232 O\n0.351606 0.102334 0.193986 O\n0.773999 0.021737 0.432805 O\n0.489760 0.310029 0.150547 O\n0.861898 0.683167 0.022486 O\n0.524583 0.199823 0.325150 O\n0.892948 0.574028 0.202501 O\n0.855520 0.174009 0.547744 O\n0.357144 0.670654 0.047782 O\n0.885246 0.067266 0.728473 O\n0.601692 0.351751 0.443116 O\n0.978442 0.728487 0.316187 O\n0.014093 0.195243 0.353956 O\n0.387558 0.567368 0.227748 O\n0.738956 0.947256 0.110266 O\n0.740313 0.557437 0.397615 O\n0.365566 0.181907 0.522181 O\n0.148687 0.397339 0.307055 O\n0.522190 0.773193 0.182097 O\n0.403431 0.078279 0.700038 O\n0.770276 0.451369 0.576766 O\n0.275081 0.949566 0.086819 O\n0.724919 0.050434 0.913181 O\n0.229724 0.548631 0.423234 O\n0.596569 0.921721 0.299962 O\n0.477810 0.226807 0.817903 O\n0.851313 0.602661 0.692945 O\n0.259687 0.442563 0.602385 O\n0.634434 0.818093 0.477819 O\n0.261044 0.052744 0.889734 O\n0.612442 0.432632 0.772252 O\n0.985907 0.804757 0.646044 O\n0.021558 0.271513 0.683813 O\n0.398308 0.648249 0.556884 O\n0.114754 0.932734 0.271527 O\n0.642856 0.329346 0.952218 O\n0.144480 0.825991 0.452256 O\n0.475417 0.800177 0.674850 O\n0.107052 0.425972 0.797499 O\n0.226001 0.978263 0.567195 O\n0.138102 0.316833 0.977514 O\n0.510240 0.689971 0.849453 O\n0.268501 0.524690 0.932768 O\n0.648394 0.897666 0.806014 O\n0.018551 0.699885 0.827165 O\n0.114603 0.839944 0.946355 O\n","nsites":79,"nelements":3,"elements":["La","Mn","O"],"chemical_system":"La-Mn-O","density":6.45400221587946,"density_atomic":0.08049448721057655,"volume":981.4336700267819,"volume_molar":7.481432541145157,"formula_full":"La16 Mn15 O48","formula_reduced":"La16Mn15O48","formula_anonymous":"A15B16C48","energy":-690.13490481,"energy_per_atom":-8.735884871012658,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-632.13890481,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":57.0016176,"is_theoretical":true,"updated_at":"2021-11-28T01:36:54.399000Z","spacegroup":2},{"id":"mp-22656","created_at":"2022-09-04T14:45:10.844193Z","structure_string":"Gd2 In2 Pt4\n1.0\n2.306926 -3.995714 0.000000\n2.306926 3.995714 0.000000\n0.000000 0.000000 9.108587\nGd In Pt\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Gd\n0.333333 0.666667 0.250000 Gd\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.090276 Pt\n0.333333 0.666667 0.909724 Pt\n0.333333 0.666667 0.590276 Pt\n0.666667 0.333333 0.409724 Pt\n","nsites":8,"nelements":3,"elements":["Gd","In","Pt"],"chemical_system":"Gd-In-Pt","density":13.097331307140479,"density_atomic":0.04764100576786035,"volume":167.92256735681622,"volume_molar":12.640666717541606,"formula_full":"Gd2 In2 Pt4","formula_reduced":"GdInPt2","formula_anonymous":"ABC2","energy":-65.42169874,"energy_per_atom":-8.1777123425,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-65.42169874,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.1874828,"is_theoretical":false,"updated_at":"2021-11-28T01:36:48.668000Z","spacegroup":194},{"id":"mp-559511","created_at":"2022-09-04T14:45:10.547319Z","structure_string":"Cr12 B28 Cl4 O52\n1.0\n8.666432 0.000000 0.000000\n0.000000 8.686152 0.000000\n0.000000 0.000000 12.273197\nCr B Cl O\n12 28 4 52\ndirect\n0.496665 0.997211 0.997691 Cr\n0.997708 0.001885 0.498387 Cr\n0.750407 0.248947 0.255613 Cr\n0.002292 0.998115 0.998387 Cr\n0.503335 0.002789 0.497691 Cr\n0.997708 0.498115 0.998387 Cr\n0.496665 0.502789 0.497691 Cr\n0.002292 0.501885 0.498387 Cr\n0.249593 0.751053 0.755613 Cr\n0.750407 0.251053 0.755613 Cr\n0.503335 0.497211 0.997691 Cr\n0.249593 0.748947 0.255613 Cr\n0.499636 0.499587 0.247926 B\n0.749667 0.749680 0.498378 B\n0.089559 0.250788 0.668417 B\n0.999529 0.000989 0.748355 B\n0.587538 0.749620 0.167474 B\n0.250333 0.249680 0.498378 B\n0.999529 0.499011 0.248355 B\n0.500364 0.999587 0.247926 B\n0.910441 0.750788 0.668417 B\n0.587538 0.750380 0.667474 B\n0.250333 0.250320 0.998378 B\n0.749646 0.590111 0.328420 B\n0.499636 0.000413 0.747926 B\n0.000471 0.999011 0.248355 B\n0.749667 0.750320 0.998378 B\n0.250354 0.409889 0.828420 B\n0.249673 0.092463 0.827525 B\n0.750327 0.592463 0.827525 B\n0.910441 0.749212 0.168417 B\n0.250354 0.090111 0.328420 B\n0.750327 0.907537 0.327525 B\n0.412462 0.249620 0.167474 B\n0.500364 0.500413 0.747926 B\n0.089559 0.249212 0.168417 B\n0.412462 0.250380 0.667474 B\n0.249673 0.407537 0.327525 B\n0.749646 0.909889 0.828420 B\n0.000471 0.500989 0.748355 B\n0.250173 0.755219 0.991806 Cl\n0.749827 0.244781 0.491806 Cl\n0.749827 0.255219 0.991806 Cl\n0.250173 0.744781 0.491806 Cl\n0.048855 0.091382 0.652651 O\n0.166370 0.525959 0.768848 O\n0.548880 0.909909 0.652142 O\n0.865335 0.825615 0.568471 O\n0.824974 0.633362 0.428764 O\n0.089770 0.051266 0.843864 O\n0.451120 0.090091 0.152142 O\n0.951145 0.908618 0.152651 O\n0.451120 0.409909 0.652142 O\n0.974238 0.335587 0.728043 O\n0.526659 0.334041 0.227839 O\n0.910230 0.551266 0.843864 O\n0.589515 0.550216 0.343591 O\n0.175026 0.133362 0.428764 O\n0.325535 0.364869 0.427916 O\n0.333714 0.524055 0.268059 O\n0.333714 0.975945 0.768059 O\n0.249561 0.250424 0.748806 O\n0.666286 0.475945 0.768059 O\n0.951145 0.591382 0.652651 O\n0.325535 0.135131 0.927916 O\n0.750439 0.750424 0.748806 O\n0.166370 0.974041 0.268848 O\n0.025762 0.664413 0.228043 O\n0.824974 0.866638 0.928764 O\n0.750439 0.749576 0.248806 O\n0.666286 0.024055 0.268059 O\n0.526659 0.165959 0.727839 O\n0.048855 0.408618 0.152651 O\n0.089770 0.448734 0.343864 O\n0.974238 0.164413 0.228043 O\n0.473341 0.834041 0.227839 O\n0.674465 0.864869 0.427916 O\n0.633093 0.674716 0.568314 O\n0.833630 0.025959 0.768848 O\n0.134665 0.325615 0.568471 O\n0.865335 0.674385 0.068471 O\n0.473341 0.665959 0.727839 O\n0.410485 0.050216 0.343591 O\n0.134665 0.174385 0.068471 O\n0.633093 0.825284 0.068314 O\n0.175026 0.366638 0.928764 O\n0.366907 0.174716 0.568314 O\n0.674465 0.635131 0.927916 O\n0.589515 0.949784 0.843591 O\n0.366907 0.325284 0.068314 O\n0.548880 0.590091 0.152142 O\n0.025762 0.835587 0.728043 O\n0.910230 0.948734 0.343864 O\n0.249561 0.249576 0.248806 O\n0.410485 0.449784 0.843591 O\n0.833630 0.474041 0.268848 O\n","nsites":96,"nelements":4,"elements":["Cr","B","Cl","O"],"chemical_system":"B-Cl-Cr-O","density":3.415688467802699,"density_atomic":0.10390723043599356,"volume":923.9010567136193,"volume_molar":5.795689804002248,"formula_full":"Cr12 B28 Cl4 O52","formula_reduced":"Cr3B7ClO13","formula_anonymous":"AB3C7D13","energy":-820.7246464,"energy_per_atom":-8.549215066666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-758.5566464,"band_gap":2.7626000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.000013,"is_theoretical":false,"updated_at":"2021-11-28T01:36:54.254000Z","spacegroup":29},{"id":"mp-1203082","created_at":"2022-09-04T14:45:10.563310Z","structure_string":"H32 C6 S6 N12 O4\n1.0\n-4.155549 -4.386395 -0.017496\n-4.155549 4.386395 -0.017496\n-0.373738 0.000000 -17.458477\nH C S N O\n32 6 6 12 4\ndirect\n0.027970 0.226746 0.047795 H\n0.773254 0.972030 0.452205 H\n0.972030 0.773254 0.952205 H\n0.226746 0.027970 0.547795 H\n0.746388 0.231528 0.023663 H\n0.768472 0.253612 0.476337 H\n0.253612 0.768472 0.976337 H\n0.231528 0.746388 0.523663 H\n0.300177 0.258215 0.957674 H\n0.741785 0.699823 0.542326 H\n0.699823 0.741785 0.042326 H\n0.258215 0.300177 0.457674 H\n0.238166 0.315844 0.861434 H\n0.684156 0.761834 0.638566 H\n0.761834 0.684156 0.138566 H\n0.315844 0.238166 0.361434 H\n0.882062 0.863952 0.274726 H\n0.136048 0.117938 0.225274 H\n0.117938 0.136048 0.725274 H\n0.863952 0.882062 0.774726 H\n0.607150 0.931694 0.293862 H\n0.068306 0.392850 0.206138 H\n0.392850 0.068306 0.706138 H\n0.931694 0.607150 0.793862 H\n0.412348 0.101465 0.094484 H\n0.898535 0.587652 0.405516 H\n0.587652 0.898535 0.905516 H\n0.101465 0.412348 0.594484 H\n0.428643 0.361947 0.094871 H\n0.638053 0.571357 0.405129 H\n0.571357 0.638053 0.905129 H\n0.361947 0.428643 0.594871 H\n0.968960 0.262767 0.933275 C\n0.737233 0.031040 0.566725 C\n0.031040 0.737233 0.066725 C\n0.262767 0.968960 0.433275 C\n0.812751 0.187249 0.250000 C\n0.187249 0.812751 0.750000 C\n0.771524 0.283261 0.864160 S\n0.716739 0.228476 0.635840 S\n0.228476 0.716739 0.135840 S\n0.283261 0.771524 0.364160 S\n0.618168 0.381832 0.250000 S\n0.381832 0.618168 0.750000 S\n0.909929 0.234984 0.007151 N\n0.765016 0.090071 0.492849 N\n0.090071 0.765016 0.992849 N\n0.234984 0.909929 0.507151 N\n0.185769 0.268049 0.915251 N\n0.731951 0.814231 0.584749 N\n0.814231 0.731951 0.084749 N\n0.268049 0.185769 0.415251 N\n0.764555 0.978730 0.275323 N\n0.021270 0.235445 0.224677 N\n0.235445 0.021270 0.724677 N\n0.978730 0.764555 0.775323 N\n0.439248 0.233500 0.061362 O\n0.766500 0.560752 0.438638 O\n0.560752 0.766500 0.938638 O\n0.233500 0.439248 0.561362 O\n","nsites":60,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.3797357726002872,"density_atomic":0.09427963642034375,"volume":636.4046604135307,"volume_molar":6.387530742217136,"formula_full":"H32 C6 S6 N12 O4","formula_reduced":"H16C3S3(N3O)2","formula_anonymous":"A2B3C3D6E16","energy":-341.29326188,"energy_per_atom":-5.688221031333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-331.19526188,"band_gap":3.5074,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000406,"is_theoretical":false,"updated_at":"2021-11-28T01:36:51.241000Z","spacegroup":15},{"id":"mp-1181950","created_at":"2022-09-04T14:45:10.566901Z","structure_string":"Cd4 Se6 N4 O30\n1.0\n19.233173 0.000000 0.000000\n0.000000 5.237224 0.000000\n0.000000 0.513542 7.094254\nCd Se N O\n4 6 4 30\ndirect\n0.574135 0.786078 0.241636 Cd\n0.074135 0.213922 0.758364 Cd\n0.425865 0.213922 0.758364 Cd\n0.925865 0.786078 0.241636 Cd\n0.250000 0.032754 0.663937 Se\n0.750000 0.967246 0.336063 Se\n0.551946 0.686651 0.762530 Se\n0.051946 0.313349 0.237470 Se\n0.448054 0.313349 0.237470 Se\n0.948054 0.686651 0.762530 Se\n0.698723 0.310782 0.808640 N\n0.198723 0.689218 0.191360 N\n0.301277 0.689218 0.191360 N\n0.801277 0.310782 0.808640 N\n0.250000 0.346573 0.580247 O\n0.750000 0.653427 0.419753 O\n0.250000 0.845892 0.252961 O\n0.750000 0.154108 0.747039 O\n0.321580 0.972329 0.797297 O\n0.821580 0.027671 0.202703 O\n0.678420 0.027671 0.202703 O\n0.178420 0.972329 0.797297 O\n0.475802 0.823210 0.807683 O\n0.975802 0.176790 0.192317 O\n0.524198 0.176790 0.192317 O\n0.024198 0.823210 0.807683 O\n0.465206 0.616522 0.282562 O\n0.965206 0.383478 0.717438 O\n0.534794 0.383478 0.717438 O\n0.034794 0.616522 0.282562 O\n0.592998 0.833356 0.571910 O\n0.092998 0.166644 0.428090 O\n0.407002 0.166644 0.428090 O\n0.907002 0.833356 0.571910 O\n0.606670 0.702836 0.943367 O\n0.106670 0.297164 0.056633 O\n0.393330 0.297164 0.056633 O\n0.893330 0.702836 0.943367 O\n0.638411 0.489594 0.435234 O\n0.138411 0.510406 0.564766 O\n0.361589 0.510406 0.564766 O\n0.861589 0.489594 0.435234 O\n0.250000 0.531908 0.131566 O\n0.750000 0.468092 0.868434 O\n","nsites":44,"nelements":4,"elements":["Cd","Se","N","O"],"chemical_system":"Cd-N-O-Se","density":3.3913173150471554,"density_atomic":0.06157350206632883,"volume":714.5931045565977,"volume_molar":9.780409685830067,"formula_full":"Cd4 Se6 N4 O30","formula_reduced":"Cd2Se3N2O15","formula_anonymous":"A2B2C3D15","energy":-231.13429279,"energy_per_atom":-5.253052108863636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.52429279,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.5568679,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.685000Z","spacegroup":11},{"id":"mp-759705","created_at":"2022-09-04T14:45:10.581748Z","structure_string":"V4 O2 F14\n1.0\n5.669880 0.000000 0.000000\n0.000000 5.579071 0.000000\n0.000000 2.301978 10.965133\nV O F\n4 2 14\ndirect\n0.499470 0.133006 0.808341 V\n0.500530 0.133006 0.308341 V\n0.018427 0.849763 0.687750 V\n0.981573 0.849763 0.187750 V\n0.300837 0.956786 0.751951 O\n0.699163 0.956786 0.251951 O\n0.131731 0.621412 0.293310 F\n0.867431 0.635638 0.104499 F\n0.649227 0.338468 0.381495 F\n0.826549 0.074719 0.781646 F\n0.459018 0.364777 0.175367 F\n0.941653 0.072511 0.558224 F\n0.555772 0.930990 0.950637 F\n0.173451 0.074719 0.281646 F\n0.058347 0.072511 0.058224 F\n0.444228 0.930990 0.450637 F\n0.868269 0.621412 0.793310 F\n0.132569 0.635638 0.604499 F\n0.350773 0.338468 0.881495 F\n0.540982 0.364777 0.675367 F\n","nsites":20,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":2.402040245616176,"density_atomic":0.057660756530377257,"volume":346.856357832618,"volume_molar":10.444089051844772,"formula_full":"V4 O2 F14","formula_reduced":"V2OF7","formula_anonymous":"AB2C7","energy":-128.4379897,"energy_per_atom":-6.421899485,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-113.7959897,"band_gap":1.7909000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0001412,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.497000Z","spacegroup":7},{"id":"mp-38637","created_at":"2022-09-04T14:45:10.657438Z","structure_string":"Rb1 W6 O18\n1.0\n-3.758859 3.865227 6.515897\n3.758859 -3.865227 6.515897\n3.758859 3.865227 -6.515897\nRb W O\n1 6 18\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.250759 0.500000 0.750759 W\n0.749241 0.500000 0.249241 W\n0.749972 0.000120 0.250147 O\n0.646217 0.212133 0.070262 O\n0.141871 0.212133 0.565916 O\n0.964596 0.212131 0.752464 O\n0.459667 0.212131 0.247536 O\n0.646217 0.575955 0.434084 O\n0.141871 0.575955 0.929738 O\n0.250028 0.999880 0.749853 O\n0.250028 0.500175 0.250147 O\n0.749972 0.499825 0.749853 O\n0.353783 0.424045 0.565916 O\n0.858129 0.424045 0.070262 O\n0.035404 0.787869 0.247536 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.540333 0.787869 0.752464 O\n0.353783 0.787867 0.929738 O\n0.858129 0.787867 0.434084 O\n","nsites":25,"nelements":3,"elements":["Rb","W","O"],"chemical_system":"O-Rb-W","density":6.474651909547823,"density_atomic":0.06601988555475279,"volume":378.67378578332364,"volume_molar":9.121707360437048,"formula_full":"Rb1 W6 O18","formula_reduced":"Rb(WO3)6","formula_anonymous":"AB6C18","energy":-223.53911317,"energy_per_atom":-8.9415645268,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.54511317,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7391494,"is_theoretical":true,"updated_at":"2021-11-28T01:36:48.477000Z","spacegroup":71},{"id":"mp-1045419","created_at":"2022-09-04T14:45:10.552522Z","structure_string":"Y2 Cr4 S8\n1.0\n-3.581547 3.831751 5.069200\n3.581547 -3.831751 5.069200\n3.581547 3.831751 -5.069200\nY Cr S\n2 4 8\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.730133 0.263950 0.466183 S\n0.742580 0.724247 0.481667 S\n0.297766 0.263950 0.033817 S\n0.257420 0.739087 0.981667 S\n0.702233 0.736050 0.966183 S\n0.257420 0.275753 0.518333 S\n0.742580 0.260913 0.018333 S\n0.269867 0.736050 0.533817 S\n","nsites":14,"nelements":3,"elements":["Y","Cr","S"],"chemical_system":"Cr-S-Y","density":3.832927051376205,"density_atomic":0.050310737544717425,"volume":278.270617431447,"volume_molar":11.969891625316313,"formula_full":"Y2 Cr4 S8","formula_reduced":"Y(CrS2)2","formula_anonymous":"AB2C4","energy":-103.88491179,"energy_per_atom":-7.420350842142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-99.86091179,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.5626291,"is_theoretical":true,"updated_at":"2021-11-28T01:36:50.110000Z","spacegroup":74},{"id":"mp-772202","created_at":"2022-09-04T14:45:10.563929Z","structure_string":"Cr16 P8 O36\n1.0\n12.069537 0.000000 0.000000\n0.000000 6.536350 0.000000\n0.000000 2.492283 9.270198\nCr P O\n16 8 36\ndirect\n0.389397 0.927819 0.889016 Cr\n0.110603 0.927819 0.389016 Cr\n0.616929 0.774271 0.753526 Cr\n0.398972 0.818670 0.536167 Cr\n0.883071 0.774271 0.253526 Cr\n0.101028 0.818670 0.036167 Cr\n0.868867 0.541695 0.691085 Cr\n0.368867 0.458305 0.808915 Cr\n0.631133 0.541695 0.191085 Cr\n0.131133 0.458305 0.308915 Cr\n0.898972 0.181330 0.963833 Cr\n0.116929 0.225729 0.746474 Cr\n0.601028 0.181330 0.463833 Cr\n0.383071 0.225729 0.246474 Cr\n0.889397 0.072181 0.610984 Cr\n0.610603 0.072181 0.110984 Cr\n0.824359 0.706528 0.924092 P\n0.124894 0.761172 0.684237 P\n0.675641 0.706528 0.424092 P\n0.375106 0.761172 0.184237 P\n0.624894 0.238828 0.815763 P\n0.324359 0.293472 0.575908 P\n0.875106 0.238828 0.315763 P\n0.175641 0.293472 0.075908 P\n0.111774 0.889253 0.800644 O\n0.800478 0.819265 0.756545 O\n0.212919 0.871936 0.571661 O\n0.445435 0.754638 0.756780 O\n0.603178 0.848641 0.492157 O\n0.709639 0.650610 0.991048 O\n0.388226 0.889253 0.300644 O\n0.017038 0.777786 0.588915 O\n0.699522 0.819265 0.256545 O\n0.287081 0.871936 0.071661 O\n0.054565 0.754638 0.256780 O\n0.896822 0.848641 0.992157 O\n0.790361 0.650610 0.491048 O\n0.892648 0.510059 0.911941 O\n0.482962 0.777786 0.088915 O\n0.154326 0.531611 0.758053 O\n0.654326 0.468389 0.741947 O\n0.392648 0.489941 0.588059 O\n0.607352 0.510059 0.411941 O\n0.345674 0.531611 0.258053 O\n0.845674 0.468389 0.241947 O\n0.517038 0.222214 0.911085 O\n0.107352 0.489941 0.088059 O\n0.209639 0.349390 0.508952 O\n0.103178 0.151359 0.007843 O\n0.945435 0.245362 0.743220 O\n0.712919 0.128064 0.928339 O\n0.300478 0.180735 0.743455 O\n0.982962 0.222214 0.411085 O\n0.611774 0.110747 0.699356 O\n0.290361 0.349390 0.008952 O\n0.396822 0.151359 0.507843 O\n0.554565 0.245362 0.243220 O\n0.787081 0.128064 0.428339 O\n0.199522 0.180735 0.243455 O\n0.888226 0.110747 0.199356 O\n","nsites":60,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":3.759390376804111,"density_atomic":0.08204201730037317,"volume":731.3325777976341,"volume_molar":7.340312876451672,"formula_full":"Cr16 P8 O36","formula_reduced":"Cr4P2O9","formula_anonymous":"A2B4C9","energy":-516.06924731,"energy_per_atom":-8.601154121833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-459.35324731,"band_gap":1.7710000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":63.9997029,"is_theoretical":true,"updated_at":"2021-11-28T01:36:58.354000Z","spacegroup":14},{"id":"mp-1218579","created_at":"2022-09-04T14:45:10.585606Z","structure_string":"Sr4 La1 Mn5 O13\n1.0\n0.000008 3.873345 -0.000003\n-0.025107 -0.000007 8.843152\n8.900727 0.000019 -0.068337\nSr La Mn O\n4 1 5 13\ndirect\n0.500017 0.899308 0.321261 Sr\n0.500015 0.100710 0.678727 Sr\n0.499995 0.701644 0.884977 Sr\n0.499999 0.298329 0.115043 Sr\n0.500070 0.500001 0.500007 La\n0.000025 0.800418 0.605063 Mn\n0.999996 0.199608 0.394910 Mn\n0.000013 0.606323 0.196923 Mn\n0.000013 0.393656 0.803100 Mn\n0.999717 0.000009 0.000034 Mn\n0.000035 0.685254 0.413412 O\n0.000022 0.314738 0.586598 O\n0.500017 0.587041 0.164687 O\n0.500012 0.412936 0.835352 O\n0.000033 0.000014 0.500035 O\n0.999978 0.796440 0.078794 O\n0.999976 0.203618 0.921207 O\n0.999998 0.916645 0.801329 O\n0.999992 0.083267 0.198495 O\n0.000027 0.595949 0.713889 O\n0.000022 0.404061 0.286124 O\n0.500025 0.791235 0.599891 O\n0.500002 0.208796 0.400141 O\n","nsites":23,"nelements":4,"elements":["Sr","La","Mn","O"],"chemical_system":"La-Mn-O-Sr","density":5.29463970286269,"density_atomic":0.07544293068420672,"volume":304.86620537416155,"volume_molar":7.982379137957693,"formula_full":"Sr4 La1 Mn5 O13","formula_reduced":"Sr4LaMn5O13","formula_anonymous":"AB4C5D13","energy":-182.13037702000003,"energy_per_atom":-7.918712044347827,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.85937702,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0012618,"is_theoretical":true,"updated_at":"2021-11-28T01:36:52.153000Z","spacegroup":10},{"id":"mp-1100818","created_at":"2022-09-04T14:45:10.586288Z","structure_string":"Zr4 Pb4 O20\n1.0\n6.603525 -0.230839 0.706040\n-0.272546 7.953301 0.116762\n0.979142 0.223460 7.802259\nZr Pb O\n4 4 20\ndirect\n0.760411 0.248773 0.379683 Zr\n0.757129 0.772498 0.355082 Zr\n0.707277 0.247531 0.894513 Zr\n0.815263 0.769602 0.847129 Zr\n0.237304 0.993857 0.510807 Pb\n0.134191 0.038734 0.039881 Pb\n0.306332 0.480336 0.854537 Pb\n0.099545 0.520849 0.510152 Pb\n0.983739 0.268569 0.000045 O\n0.064919 0.225025 0.455849 O\n0.861977 0.766959 0.087977 O\n0.956191 0.788587 0.542675 O\n0.386021 0.472929 0.561362 O\n0.125050 0.927031 0.796328 O\n0.308601 0.017506 0.227650 O\n0.274793 0.537558 0.175859 O\n0.493691 0.160110 0.528837 O\n0.388981 0.231602 0.907316 O\n0.466102 0.800067 0.476990 O\n0.425050 0.757749 0.992881 O\n0.660587 0.305921 0.156220 O\n0.409806 0.678142 0.151201 O\n0.637024 0.531472 0.832999 O\n0.719465 0.006730 0.841841 O\n0.852679 0.019625 0.289230 O\n0.868257 0.522461 0.359532 O\n0.843751 0.321482 0.631756 O\n0.041860 0.575296 0.795666 O\n","nsites":28,"nelements":3,"elements":["Zr","Pb","O"],"chemical_system":"O-Pb-Zr","density":6.228666397506701,"density_atomic":0.0693855099586996,"volume":403.5424689775497,"volume_molar":8.679248395788349,"formula_full":"Zr4 Pb4 O20","formula_reduced":"ZrPbO5","formula_anonymous":"ABC5","energy":-188.8589448,"energy_per_atom":-6.744962314285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-188.8589448,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9999782,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.704000Z","spacegroup":1},{"id":"mp-695965","created_at":"2022-09-04T14:45:10.587911Z","structure_string":"Rb2 Na4 P6 H12 O24\n1.0\n7.636598 0.000000 0.000000\n1.867471 8.605692 0.000000\n0.931672 3.905540 9.014525\nRb Na P H O\n2 4 6 12 24\ndirect\n0.754271 0.852528 0.619818 Rb\n0.245729 0.147472 0.380182 Rb\n0.470322 0.221818 0.713544 Na\n0.529678 0.778182 0.286456 Na\n0.851661 0.527200 0.140842 Na\n0.148339 0.472800 0.859158 Na\n0.926636 0.138266 0.757415 P\n0.073364 0.861734 0.242585 P\n0.258102 0.618613 0.118312 P\n0.741898 0.381387 0.881688 P\n0.754687 0.127678 0.200414 P\n0.245313 0.872322 0.799586 P\n0.714809 0.901986 0.970290 H\n0.285191 0.098014 0.029710 H\n0.569016 0.794188 0.992836 H\n0.430984 0.205812 0.007164 H\n0.486805 0.396785 0.386912 H\n0.513195 0.603215 0.613088 H\n0.656403 0.259216 0.404211 H\n0.343597 0.740784 0.595789 H\n0.817144 0.443025 0.461193 H\n0.182856 0.556975 0.538807 H\n0.880140 0.617942 0.401447 H\n0.119860 0.382058 0.598553 H\n0.238389 0.938396 0.211045 O\n0.761611 0.061604 0.788955 O\n0.017096 0.769280 0.401060 O\n0.982904 0.230720 0.598939 O\n0.915849 0.262263 0.844126 O\n0.084151 0.737737 0.155874 O\n0.908932 0.004054 0.148414 O\n0.091068 0.995946 0.851586 O\n0.666472 0.252185 0.037915 O\n0.333528 0.747815 0.962085 O\n0.181023 0.487889 0.094092 O\n0.818977 0.512111 0.905908 O\n0.402967 0.568893 0.228860 O\n0.597033 0.431107 0.771140 O\n0.838996 0.225827 0.262592 O\n0.161004 0.774173 0.737408 O\n0.384788 0.969600 0.710117 O\n0.615212 0.030400 0.289883 O\n0.665386 0.805564 0.044835 O\n0.334614 0.194436 0.955165 O\n0.449005 0.711472 0.539379 O\n0.550995 0.288528 0.460621 O\n0.796270 0.557414 0.382234 O\n0.203730 0.442586 0.617766 O\n","nsites":48,"nelements":5,"elements":["Rb","Na","P","H","O"],"chemical_system":"H-Na-O-P-Rb","density":2.3680111717276184,"density_atomic":0.08102381013349931,"volume":592.4184498471813,"volume_molar":7.432556862084846,"formula_full":"Rb2 Na4 P6 H12 O24","formula_reduced":"RbNa2P3(HO2)6","formula_anonymous":"AB2C3D6E12","energy":-301.10776692,"energy_per_atom":-6.2730784775,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-284.61976692,"band_gap":5.0053,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004067,"is_theoretical":false,"updated_at":"2021-11-28T01:36:55.214000Z","spacegroup":2}]}