{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10223","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=nsites&page=10221","results":[{"id":"mp-1228268","created_at":"2022-09-04T14:45:09.455545Z","structure_string":"Ba2 Nd8 Co10 O30\n1.0\n2.760095 9.002123 0.000000\n-2.760095 9.002123 0.000000\n0.000000 6.240290 11.890486\nBa Nd Co O\n2 8 10 30\ndirect\n0.492275 0.507725 0.750000 Ba\n0.507725 0.492275 0.250000 Ba\n0.289186 0.305264 0.553125 Nd\n0.094861 0.102362 0.357259 Nd\n0.897638 0.905139 0.142741 Nd\n0.694736 0.710814 0.946875 Nd\n0.710814 0.694736 0.446875 Nd\n0.305264 0.289186 0.053125 Nd\n0.102362 0.094861 0.857259 Nd\n0.905139 0.897638 0.642741 Nd\n0.292644 0.306474 0.801760 Co\n0.095457 0.105165 0.599701 Co\n0.904543 0.894835 0.400299 Co\n0.707356 0.693526 0.198240 Co\n0.500000 0.500000 0.000000 Co\n0.894835 0.904543 0.900299 Co\n0.693525 0.707356 0.698240 Co\n0.500000 0.500000 0.500000 Co\n0.306475 0.292644 0.301760 Co\n0.105165 0.095457 0.099701 Co\n0.819588 0.250282 0.060850 O\n0.579886 0.082692 0.881399 O\n0.376830 0.913069 0.669670 O\n0.192682 0.667196 0.476399 O\n0.993844 0.469194 0.283106 O\n0.332804 0.807318 0.023601 O\n0.086931 0.623170 0.830330 O\n0.917308 0.420114 0.618601 O\n0.749718 0.180412 0.439150 O\n0.530806 0.006156 0.216894 O\n0.180412 0.749718 0.939150 O\n0.006156 0.530806 0.716894 O\n0.807318 0.332804 0.523601 O\n0.623170 0.086931 0.330330 O\n0.420114 0.917308 0.118601 O\n0.667196 0.192682 0.976399 O\n0.469194 0.993844 0.783106 O\n0.250282 0.819588 0.560850 O\n0.082692 0.579886 0.381399 O\n0.913069 0.376830 0.169670 O\n0.472837 0.319683 0.647211 O\n0.279787 0.115371 0.449510 O\n0.037142 0.962858 0.250000 O\n0.884629 0.720213 0.050490 O\n0.680317 0.527163 0.852789 O\n0.720213 0.884629 0.550490 O\n0.527163 0.680317 0.352789 O\n0.319683 0.472837 0.147211 O\n0.115371 0.279787 0.949510 O\n0.962858 0.037142 0.750000 O\n","nsites":50,"nelements":4,"elements":["Ba","Nd","Co","O"],"chemical_system":"Ba-Co-Nd-O","density":7.0198245497154526,"density_atomic":0.0846196899674609,"volume":590.8790261371398,"volume_molar":7.11671333505915,"formula_full":"Ba2 Nd8 Co10 O30","formula_reduced":"BaNd4(CoO3)5","formula_anonymous":"AB4C5D15","energy":-378.65272242,"energy_per_atom":-7.5730544484,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-341.66272242,"band_gap":0.0096000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0366327,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.077000Z","spacegroup":15},{"id":"mp-1229129","created_at":"2022-09-04T14:45:09.798277Z","structure_string":"Ba10 Pr5 Nb2 Sn3 O30\n1.0\n-7.172677 -5.069914 0.053532\n5.363756 -0.027355 9.259423\n-1.825930 10.153155 3.065198\nBa Pr Nb Sn O\n10 5 2 3 30\ndirect\n0.650622 0.099894 0.698913 Ba\n0.449747 0.300409 0.099825 Ba\n0.852741 0.897994 0.298627 Ba\n0.247851 0.496342 0.499147 Ba\n0.050944 0.696679 0.900249 Ba\n0.750253 0.499591 0.500175 Ba\n0.549378 0.700106 0.901087 Ba\n0.952149 0.303658 0.100853 Ba\n0.347259 0.902006 0.301373 Ba\n0.149056 0.103321 0.699751 Ba\n0.798109 0.198349 0.398617 Pr\n0.600000 0.400000 0.800000 Pr\n0.999260 0.000133 0.998486 Pr\n0.401891 0.601651 0.201383 Pr\n0.200740 0.799867 0.601514 Pr\n0.700136 0.799548 0.600421 Nb\n0.499864 0.000452 0.999579 Nb\n0.900175 0.600369 0.200008 Sn\n0.299825 0.199631 0.399992 Sn\n0.100000 0.400000 0.800000 Sn\n0.985373 0.799811 0.126635 O\n0.384220 0.398636 0.325364 O\n0.783505 0.993937 0.529484 O\n0.185362 0.599121 0.726609 O\n0.584055 0.193857 0.929389 O\n0.655958 0.611867 0.171590 O\n0.055365 0.210268 0.372477 O\n0.463349 0.812284 0.573180 O\n0.855559 0.411425 0.771564 O\n0.260524 0.009379 0.970409 O\n0.013562 0.677116 0.398091 O\n0.412114 0.274449 0.598565 O\n0.806679 0.873085 0.792918 O\n0.213573 0.476944 0.997838 O\n0.606044 0.071765 0.192311 O\n0.815780 0.401364 0.274636 O\n0.214627 0.000189 0.473365 O\n0.615945 0.606143 0.670611 O\n0.014638 0.200879 0.873391 O\n0.416495 0.806063 0.070516 O\n0.144635 0.589732 0.227523 O\n0.544042 0.188133 0.428410 O\n0.939476 0.790621 0.629591 O\n0.344441 0.388575 0.828436 O\n0.736651 0.987716 0.026820 O\n0.787886 0.525551 0.001435 O\n0.186438 0.122884 0.201909 O\n0.593956 0.728235 0.407689 O\n0.986427 0.323056 0.602162 O\n0.393321 0.926915 0.807082 O\n","nsites":50,"nelements":5,"elements":["Ba","Pr","Nb","Sn","O"],"chemical_system":"Ba-Nb-O-Pr-Sn","density":6.077685039192188,"density_atomic":0.05903843120606359,"volume":846.9059725771424,"volume_molar":10.200373954688501,"formula_full":"Ba10 Pr5 Nb2 Sn3 O30","formula_reduced":"Ba10Pr5Nb2(SnO10)3","formula_anonymous":"A2B3C5D10E30","energy":-375.10480924,"energy_per_atom":-7.5020961848,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-354.49480924,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.9999369,"is_theoretical":true,"updated_at":"2021-11-28T01:36:51.085000Z","spacegroup":2},{"id":"mp-695243","created_at":"2022-09-04T14:39:29.897436Z","structure_string":"Na4 Sr2 La4 Ti10 O30\n1.0\n2.765280 19.732726 0.000000\n-2.765280 19.732726 0.000000\n0.000000 0.755279 5.471905\nNa Sr La Ti O\n4 2 4 10 30\ndirect\n0.748799 0.051595 0.598708 Na\n0.152586 0.447469 0.198540 Na\n0.552531 0.847414 0.801460 Na\n0.948405 0.251201 0.401292 Na\n0.350091 0.649909 0.000000 Sr\n0.851679 0.148321 0.500000 Sr\n0.054225 0.346706 0.307861 La\n0.449457 0.752154 0.903477 La\n0.247846 0.550543 0.096523 La\n0.653294 0.945775 0.692139 La\n0.003766 0.298357 0.854619 Ti\n0.399488 0.702899 0.452011 Ti\n0.799377 0.099663 0.049500 Ti\n0.202774 0.497756 0.646701 Ti\n0.605417 0.895903 0.253828 Ti\n0.701643 0.996234 0.145381 Ti\n0.104097 0.394583 0.746172 Ti\n0.502244 0.797226 0.353299 Ti\n0.900337 0.200623 0.950500 Ti\n0.297101 0.600512 0.547989 Ti\n0.036738 0.869551 0.785693 O\n0.385388 0.614612 0.500000 O\n0.423021 0.286842 0.369572 O\n0.073130 0.830656 0.279323 O\n0.797456 0.000544 0.101604 O\n0.312874 0.175748 0.037231 O\n0.824252 0.687126 0.962769 O\n0.473495 0.233116 0.876792 O\n0.005394 0.394706 0.794133 O\n0.202046 0.397193 0.701996 O\n0.713158 0.576979 0.630428 O\n0.367463 0.123614 0.530566 O\n0.226433 0.083560 0.566107 O\n0.876386 0.632537 0.469434 O\n0.406544 0.794013 0.393520 O\n0.602807 0.797954 0.298004 O\n0.130449 0.963262 0.214307 O\n0.766884 0.526505 0.123208 O\n0.629801 0.479735 0.168323 O\n0.276324 0.033349 0.071343 O\n0.817897 0.182103 0.000000 O\n0.999456 0.202544 0.898396 O\n0.520265 0.370199 0.831677 O\n0.169344 0.926870 0.720677 O\n0.666234 0.443006 0.681628 O\n0.205987 0.593456 0.606480 O\n0.916440 0.773567 0.433893 O\n0.556994 0.333766 0.318372 O\n0.605294 0.994606 0.205867 O\n0.966651 0.723676 0.928657 O\n","nsites":50,"nelements":5,"elements":["Na","Sr","La","Ti","O"],"chemical_system":"La-Na-O-Sr-Ti","density":4.953744338506877,"density_atomic":0.08372887611518585,"volume":597.1655457457111,"volume_molar":7.192429947005784,"formula_full":"Na4 Sr2 La4 Ti10 O30","formula_reduced":"Na2SrLa2Ti5O15","formula_anonymous":"AB2C2D5E15","energy":-428.41853563,"energy_per_atom":-8.5683707126,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-407.80853563,"band_gap":1.8584000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029358,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.271000Z","spacegroup":5},{"id":"mp-1204167","created_at":"2022-09-04T14:39:34.053588Z","structure_string":"Ce2 H28 Cl6 O14\n1.0\n-0.057103 -0.071628 -8.016021\n8.155198 0.189558 -1.153309\n-2.724217 -8.737704 2.696557\nCe H Cl O\n2 28 6 14\ndirect\n0.782897 0.309345 0.816950 Ce\n0.212472 0.682268 0.166286 Ce\n0.480652 0.195517 0.516904 H\n0.644261 0.137395 0.446707 H\n0.345429 0.850476 0.540330 H\n0.464157 0.925696 0.471320 H\n0.528699 0.640616 0.743961 H\n0.448582 0.468883 0.623426 H\n0.492336 0.374924 0.251165 H\n0.554480 0.561158 0.362894 H\n0.883715 0.512158 0.616193 H\n0.010134 0.343306 0.591287 H\n0.996546 0.632799 0.393925 H\n0.131203 0.470300 0.364587 H\n0.075888 0.025272 0.711761 H\n0.898304 0.951090 0.602107 H\n0.903292 0.961062 0.260829 H\n0.077799 0.009602 0.388375 H\n0.389282 0.375140 0.847365 H\n0.431789 0.176695 0.837686 H\n0.609606 0.662684 0.144320 H\n0.542074 0.854175 0.147722 H\n0.742947 0.311071 0.142391 H\n0.886527 0.446291 0.178475 H\n0.122146 0.539968 0.803928 H\n0.260310 0.682591 0.842483 H\n0.784257 0.914727 0.809156 H\n0.729234 0.022977 0.962953 H\n0.201481 0.080321 0.204360 H\n0.225720 0.002812 0.034818 H\n0.855585 0.674096 0.979234 Cl\n0.144241 0.312701 0.996976 Cl\n0.330120 0.884735 0.772793 Cl\n0.657983 0.114063 0.207674 Cl\n0.219495 0.274716 0.458706 Cl\n0.794235 0.702294 0.518596 Cl\n0.602208 0.145600 0.537882 O\n0.362606 0.855517 0.442418 O\n0.555872 0.515910 0.699236 O\n0.452933 0.497261 0.288502 O\n0.942111 0.420556 0.663135 O\n0.068253 0.562561 0.321350 O\n0.956887 0.062017 0.664134 O\n0.013617 0.911022 0.310124 O\n0.478622 0.279668 0.834402 O\n0.508209 0.743827 0.149186 O\n0.776657 0.397196 0.104400 O\n0.231306 0.591381 0.877862 O\n0.765212 0.033038 0.875330 O\n0.209029 0.971224 0.120325 O\n","nsites":50,"nelements":4,"elements":["Ce","H","Cl","O"],"chemical_system":"Ce-Cl-H-O","density":2.174798534621168,"density_atomic":0.08787960979549592,"volume":568.9601958446866,"volume_molar":6.85271677242774,"formula_full":"Ce2 H28 Cl6 O14","formula_reduced":"CeH14Cl3O7","formula_anonymous":"AB3C7D14","energy":-262.02811823,"energy_per_atom":-5.240562364600001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-248.72611823000005,"band_gap":0.3279000000000001,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:35.421000Z","spacegroup":1},{"id":"mp-720201","created_at":"2022-09-04T14:39:23.859682Z","structure_string":"Ba4 La6 Mn5 In5 O30\n1.0\n2.870217 5.014661 0.000000\n-2.870217 5.014661 0.000000\n0.000000 3.567079 23.581870\nBa La Mn In O\n4 6 5 5 30\ndirect\n0.447558 0.447558 0.152689 Ba\n0.147517 0.147517 0.056777 Ba\n0.752928 0.752928 0.247024 Ba\n0.351427 0.351427 0.443511 Ba\n0.047168 0.047168 0.338223 La\n0.640917 0.640917 0.544489 La\n0.245107 0.245107 0.756973 La\n0.957697 0.957697 0.636287 La\n0.839527 0.839527 0.966517 La\n0.555952 0.555952 0.858117 La\n0.797459 0.797459 0.104681 Mn\n0.505562 0.505562 0.005888 Mn\n0.405595 0.405595 0.297923 Mn\n0.097021 0.097021 0.198813 Mn\n0.002895 0.002895 0.493867 Mn\n0.700641 0.700641 0.397217 In\n0.601878 0.601878 0.700399 In\n0.296543 0.296543 0.596842 In\n0.193087 0.193087 0.906056 In\n0.901772 0.901772 0.801626 In\n0.637493 0.637493 0.057534 O\n0.453134 0.955335 0.152074 O\n0.650543 0.131324 0.046886 O\n0.246746 0.246746 0.260619 O\n0.080493 0.582712 0.347440 O\n0.243276 0.764106 0.250008 O\n0.955335 0.453134 0.152074 O\n0.131324 0.650543 0.046886 O\n0.822973 0.822973 0.466022 O\n0.947925 0.947925 0.148640 O\n0.688791 0.175125 0.551637 O\n0.846812 0.302867 0.439285 O\n0.582712 0.080493 0.347440 O\n0.764106 0.243276 0.250008 O\n0.399981 0.399981 0.670293 O\n0.561415 0.561415 0.338241 O\n0.305356 0.790953 0.768581 O\n0.412094 0.895247 0.630670 O\n0.175125 0.688791 0.551637 O\n0.302867 0.846812 0.439285 O\n0.992672 0.992672 0.880515 O\n0.159213 0.159213 0.530504 O\n0.841860 0.398006 0.961310 O\n0.011041 0.505263 0.840266 O\n0.790953 0.305356 0.768581 O\n0.895247 0.412094 0.630670 O\n0.808496 0.808496 0.722816 O\n0.398006 0.841860 0.961310 O\n0.505263 0.011041 0.840266 O\n0.381032 0.381032 0.944701 O\n","nsites":50,"nelements":5,"elements":["Ba","La","Mn","In","O"],"chemical_system":"Ba-In-La-Mn-O","density":6.632765538799784,"density_atomic":0.07365554648774726,"volume":678.8355036958092,"volume_molar":8.176085912283327,"formula_full":"Ba4 La6 Mn5 In5 O30","formula_reduced":"Ba4La6Mn5In5O30","formula_anonymous":"A4B5C5D6E30","energy":-380.12481204,"energy_per_atom":-7.6024962408,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.17481204,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9990181,"is_theoretical":true,"updated_at":"2021-11-28T01:34:39.792000Z","spacegroup":8},{"id":"mp-1218934","created_at":"2022-09-04T14:39:28.357667Z","structure_string":"Sr10 Fe4 Co1 Mo5 O30\n1.0\n-6.282486 6.282486 4.013684\n6.282486 -6.282486 4.013684\n6.282486 6.282486 -4.013684\nSr Fe Co Mo O\n10 4 1 5 30\ndirect\n0.347949 0.050579 0.900302 Sr\n0.750000 0.250000 0.500000 Sr\n0.552353 0.652051 0.702630 Sr\n0.949421 0.849723 0.297370 Sr\n0.150277 0.447647 0.099698 Sr\n0.250000 0.750000 0.500000 Sr\n0.652051 0.949421 0.099698 Sr\n0.447647 0.347949 0.297370 Sr\n0.849723 0.552353 0.900302 Sr\n0.050579 0.150277 0.702630 Sr\n0.798522 0.402233 0.200754 Fe\n0.597767 0.798522 0.396289 Fe\n0.402233 0.201478 0.603711 Fe\n0.201478 0.597767 0.799246 Fe\n0.000000 0.000000 0.000000 Co\n0.899964 0.702066 0.602031 Mo\n0.297934 0.899964 0.197898 Mo\n0.100036 0.297934 0.397969 Mo\n0.500000 0.500000 0.000000 Mo\n0.702066 0.100036 0.802102 Mo\n0.448191 0.849078 0.801218 O\n0.849078 0.047859 0.400887 O\n0.646973 0.448191 0.599114 O\n0.047859 0.646973 0.198782 O\n0.253415 0.253415 0.000000 O\n0.150922 0.952141 0.599114 O\n0.551809 0.150922 0.198782 O\n0.353027 0.551809 0.400887 O\n0.746585 0.746585 0.000000 O\n0.952141 0.353027 0.801218 O\n0.847398 0.027535 0.874934 O\n0.642282 0.427128 0.069410 O\n0.442414 0.830515 0.272929 O\n0.238728 0.230570 0.469298 O\n0.039135 0.633371 0.672506 O\n0.357718 0.572872 0.930590 O\n0.152602 0.972465 0.125066 O\n0.960865 0.366629 0.327494 O\n0.761272 0.769430 0.530702 O\n0.557586 0.169485 0.727071 O\n0.769430 0.238728 0.008157 O\n0.572872 0.642282 0.215155 O\n0.366629 0.039135 0.405763 O\n0.169485 0.442414 0.611898 O\n0.972465 0.847398 0.819863 O\n0.633371 0.960865 0.594237 O\n0.427128 0.357718 0.784845 O\n0.230570 0.761272 0.991843 O\n0.027535 0.152602 0.180137 O\n0.830515 0.557586 0.388102 O\n","nsites":50,"nelements":5,"elements":["Sr","Fe","Co","Mo","O"],"chemical_system":"Co-Fe-Mo-O-Sr","density":5.550713969107179,"density_atomic":0.07890486422336881,"volume":633.6744951294369,"volume_molar":7.6321540113828075,"formula_full":"Sr10 Fe4 Co1 Mo5 O30","formula_reduced":"Sr10Fe4Co(MoO6)5","formula_anonymous":"AB4C5D10E30","energy":-385.59612557,"energy_per_atom":-7.711922511400001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-338.31412557,"band_gap":0.5694999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.9874116,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.566000Z","spacegroup":87},{"id":"mp-1200535","created_at":"2022-09-04T14:39:28.070010Z","structure_string":"Al2 B4 P4 H14 O26\n1.0\n3.913536 9.688599 0.000000\n-3.913536 9.688599 0.000000\n0.000000 0.651405 7.238920\nAl B P H O\n2 4 4 14 26\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.826645 0.390738 0.295128 B\n0.609262 0.173355 0.204872 B\n0.173355 0.609262 0.704872 B\n0.390738 0.826645 0.795128 B\n0.752257 0.582045 0.930216 P\n0.417955 0.247743 0.569784 P\n0.247743 0.417955 0.069784 P\n0.582045 0.752257 0.430216 P\n0.809690 0.190310 0.250000 H\n0.190310 0.809690 0.750000 H\n0.911701 0.734063 0.684813 H\n0.265937 0.088299 0.815187 H\n0.088299 0.265937 0.315187 H\n0.734063 0.911701 0.184813 H\n0.337145 0.596437 0.202795 H\n0.403563 0.662855 0.297205 H\n0.662855 0.403563 0.797205 H\n0.596437 0.337145 0.702795 H\n0.660950 0.988016 0.682687 H\n0.011984 0.339050 0.817313 H\n0.339050 0.011984 0.317313 H\n0.988016 0.660950 0.182687 H\n0.861109 0.244802 0.322863 O\n0.755198 0.138891 0.177137 O\n0.138891 0.755198 0.677137 O\n0.244802 0.861109 0.822863 O\n0.846698 0.432503 0.079856 O\n0.567497 0.153302 0.420144 O\n0.153302 0.567497 0.920144 O\n0.432503 0.846698 0.579856 O\n0.918883 0.464923 0.765319 O\n0.535077 0.081117 0.734681 O\n0.081117 0.535077 0.234681 O\n0.464923 0.918883 0.265319 O\n0.583080 0.640609 0.856327 O\n0.359391 0.416920 0.643673 O\n0.416920 0.359391 0.143673 O\n0.640609 0.583080 0.356327 O\n0.292296 0.707704 0.250000 O\n0.707704 0.292296 0.750000 O\n0.023261 0.630195 0.619260 O\n0.369805 0.976739 0.880740 O\n0.976739 0.369805 0.380740 O\n0.630195 0.023261 0.119260 O\n0.715999 0.749281 0.967320 O\n0.250719 0.284001 0.532680 O\n0.284001 0.250719 0.032680 O\n0.749281 0.715999 0.467320 O\n","nsites":50,"nelements":5,"elements":["Al","B","P","H","O"],"chemical_system":"Al-B-H-O-P","density":1.9698259674827716,"density_atomic":0.09108270439674993,"volume":548.9516405024984,"volume_molar":6.611728099077926,"formula_full":"Al2 B4 P4 H14 O26","formula_reduced":"AlB2P2H7O13","formula_anonymous":"AB2C2D7E13","energy":-332.56391351,"energy_per_atom":-6.651278270200001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.70191351,"band_gap":2.5429000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:34:29.874000Z","spacegroup":15},{"id":"mp-1228419","created_at":"2022-09-04T14:39:25.011007Z","structure_string":"Ba2 La8 Co10 O30\n1.0\n2.786107 9.163757 0.000000\n-2.786107 9.163757 0.000000\n0.000000 6.478638 11.836443\nBa La Co O\n2 8 10 30\ndirect\n0.999151 0.000849 0.750000 Ba\n0.000849 0.999151 0.250000 Ba\n0.197382 0.207456 0.946880 La\n0.397620 0.397898 0.149452 La\n0.602102 0.602380 0.350548 La\n0.792544 0.802618 0.553120 La\n0.802618 0.792544 0.053120 La\n0.207456 0.197382 0.446880 La\n0.397898 0.397620 0.649452 La\n0.602380 0.602102 0.850548 La\n0.197716 0.203174 0.699571 Co\n0.397884 0.399583 0.900050 Co\n0.602116 0.600417 0.099950 Co\n0.802284 0.796826 0.300429 Co\n0.000000 0.000000 0.500000 Co\n0.600417 0.602116 0.599950 Co\n0.796826 0.802284 0.800429 Co\n0.000000 0.000000 0.000000 Co\n0.203174 0.197716 0.199571 Co\n0.399583 0.397884 0.400050 Co\n0.213109 0.711923 0.445130 O\n0.414115 0.923064 0.626020 O\n0.582061 0.127314 0.841992 O\n0.805407 0.330767 0.028860 O\n0.014003 0.517168 0.228774 O\n0.669233 0.194593 0.471140 O\n0.872686 0.417939 0.658008 O\n0.076936 0.585885 0.873980 O\n0.288077 0.786891 0.054870 O\n0.482832 0.985997 0.271226 O\n0.786891 0.288077 0.554870 O\n0.985997 0.482832 0.771226 O\n0.194593 0.669233 0.971140 O\n0.417939 0.872686 0.158008 O\n0.585885 0.076936 0.373980 O\n0.330767 0.805407 0.528860 O\n0.517168 0.014003 0.728774 O\n0.711923 0.213109 0.945130 O\n0.923064 0.414115 0.126020 O\n0.127314 0.582061 0.341992 O\n0.170613 0.043966 0.846851 O\n0.363483 0.233184 0.056590 O\n0.529026 0.470974 0.250000 O\n0.766816 0.636517 0.443410 O\n0.956034 0.829387 0.653149 O\n0.636517 0.766816 0.943410 O\n0.829387 0.956034 0.153149 O\n0.043966 0.170613 0.346851 O\n0.233184 0.363483 0.556590 O\n0.470974 0.529026 0.750000 O\n","nsites":50,"nelements":4,"elements":["Ba","La","Co","O"],"chemical_system":"Ba-Co-La-O","density":6.745520738931741,"density_atomic":0.08272703172180701,"volume":604.3973651579705,"volume_molar":7.279532015908837,"formula_full":"Ba2 La8 Co10 O30","formula_reduced":"BaLa4(CoO3)5","formula_anonymous":"AB4C5D15","energy":-384.60117724,"energy_per_atom":-7.6920235448000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-347.61117724,"band_gap":0.2804000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0000573,"is_theoretical":true,"updated_at":"2021-11-28T01:34:36.167000Z","spacegroup":15},{"id":"mp-1197501","created_at":"2022-09-04T14:39:23.786408Z","structure_string":"Bi12 Se6 Br4 O28\n1.0\n7.238381 0.000000 0.000000\n2.346337 11.023620 0.000000\n1.754718 4.583894 11.349176\nBi Se Br O\n12 6 4 28\ndirect\n0.539643 0.635820 0.362213 Bi\n0.460357 0.364180 0.637787 Bi\n0.066154 0.812175 0.327104 Bi\n0.933846 0.187825 0.672896 Bi\n0.136879 0.459936 0.379655 Bi\n0.863121 0.540064 0.620345 Bi\n0.804381 0.920869 0.006594 Bi\n0.195619 0.079131 0.993406 Bi\n0.288563 0.706975 0.068151 Bi\n0.711437 0.293025 0.931849 Bi\n0.316800 0.753548 0.612843 Bi\n0.683200 0.246452 0.387157 Bi\n0.532573 0.013529 0.205231 Se\n0.467427 0.986471 0.794769 Se\n0.239982 0.108519 0.431701 Se\n0.760018 0.891481 0.568299 Se\n0.815396 0.552322 0.134841 Se\n0.184604 0.447678 0.865159 Se\n0.595861 0.610624 0.841712 Br\n0.404139 0.389376 0.158288 Br\n0.056847 0.810278 0.834739 Br\n0.943153 0.189722 0.165261 Br\n0.791050 0.463626 0.287699 O\n0.208950 0.536374 0.712301 O\n0.266390 0.669021 0.260717 O\n0.733610 0.330979 0.739283 O\n0.911705 0.111762 0.920160 O\n0.088295 0.888238 0.079840 O\n0.959207 0.625412 0.425742 O\n0.040793 0.374588 0.574258 O\n0.587214 0.545297 0.559816 O\n0.412786 0.454703 0.440184 O\n0.574883 0.094305 0.051425 O\n0.425117 0.905695 0.948575 O\n0.309884 0.751654 0.438363 O\n0.690116 0.248346 0.561637 O\n0.982387 0.642231 0.135497 O\n0.017613 0.357769 0.864503 O\n0.619197 0.673598 0.117580 O\n0.380803 0.326402 0.882420 O\n0.717161 0.883856 0.220077 O\n0.282839 0.116144 0.779923 O\n0.340193 0.950163 0.198117 O\n0.659807 0.049837 0.801883 O\n0.982687 0.807191 0.545795 O\n0.017313 0.192809 0.454205 O\n0.258411 0.977698 0.565013 O\n0.741589 0.022302 0.434987 O\n0.631955 0.790469 0.544329 O\n0.368045 0.209531 0.455671 O\n","nsites":50,"nelements":4,"elements":["Bi","Se","Br","O"],"chemical_system":"Bi-Br-O-Se","density":6.874623181132393,"density_atomic":0.05521282902758775,"volume":905.5866341320221,"volume_molar":10.907140362235317,"formula_full":"Bi12 Se6 Br4 O28","formula_reduced":"Bi6Se3(BrO7)2","formula_anonymous":"A2B3C6D14","energy":-289.46625469,"energy_per_atom":-5.7893250938000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-268.09425469,"band_gap":3.1938,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004534,"is_theoretical":false,"updated_at":"2021-11-28T01:34:27.712000Z","spacegroup":2},{"id":"mp-1202839","created_at":"2022-09-04T14:39:38.982400Z","structure_string":"Li2 Cd8 Ge10 O30\n1.0\n7.195564 0.000000 0.000000\n-0.692483 8.004473 0.000000\n-0.639884 -3.570048 11.894911\nLi Cd Ge O\n2 8 10 30\ndirect\n0.341115 0.163383 0.612635 Li\n0.658885 0.836617 0.387365 Li\n0.057950 0.097402 0.150776 Cd\n0.942050 0.902598 0.849224 Cd\n0.133762 0.318457 0.443723 Cd\n0.866238 0.681543 0.556277 Cd\n0.183892 0.534619 0.733942 Cd\n0.816108 0.465381 0.266058 Cd\n0.274146 0.743414 0.018241 Cd\n0.725854 0.256586 0.981759 Cd\n0.428461 0.972857 0.825738 Ge\n0.571539 0.027143 0.174262 Ge\n0.355308 0.775036 0.554250 Ge\n0.644692 0.224964 0.445750 Ge\n0.302328 0.514298 0.229986 Ge\n0.697672 0.485702 0.770014 Ge\n0.220837 0.318366 0.958926 Ge\n0.779163 0.681634 0.041074 Ge\n0.109304 0.856817 0.353185 Ge\n0.890696 0.143183 0.646815 Ge\n0.422881 0.953738 0.678080 O\n0.577119 0.046262 0.321920 O\n0.034841 0.175215 0.976512 O\n0.965159 0.824785 0.023488 O\n0.125036 0.382890 0.269061 O\n0.874964 0.617110 0.730939 O\n0.271149 0.913666 0.475776 O\n0.728851 0.086334 0.524224 O\n0.180210 0.614975 0.563382 O\n0.819790 0.385025 0.436618 O\n0.252929 0.822278 0.847175 O\n0.747071 0.177722 0.152825 O\n0.357889 0.434995 0.087778 O\n0.642111 0.565005 0.912222 O\n0.606001 0.798360 0.121164 O\n0.393999 0.201640 0.878836 O\n0.062997 0.047274 0.322139 O\n0.937003 0.952726 0.677861 O\n0.225910 0.724436 0.238413 O\n0.774090 0.275564 0.761587 O\n0.435397 0.293573 0.504751 O\n0.564603 0.706427 0.495249 O\n0.093410 0.260082 0.620056 O\n0.906590 0.739918 0.379944 O\n0.352006 0.026415 0.108731 O\n0.647994 0.973585 0.891269 O\n0.161073 0.486481 0.904353 O\n0.838927 0.513519 0.095647 O\n0.519387 0.532479 0.308269 O\n0.480613 0.467521 0.691731 O\n","nsites":50,"nelements":4,"elements":["Li","Cd","Ge","O"],"chemical_system":"Cd-Ge-Li-O","density":5.137293662979395,"density_atomic":0.07298123748464123,"volume":685.1075937225976,"volume_molar":8.25162873028475,"formula_full":"Li2 Cd8 Ge10 O30","formula_reduced":"LiCd4(GeO3)5","formula_anonymous":"AB4C5D15","energy":-299.43513701,"energy_per_atom":-5.9887027402,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-278.82513701,"band_gap":0.5378000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0004781,"is_theoretical":false,"updated_at":"2021-11-28T01:34:40.416000Z","spacegroup":2},{"id":"mp-1195628","created_at":"2022-09-04T14:39:38.263330Z","structure_string":"Cs2 K4 Mn6 P8 Cl2 O28\n1.0\n5.460092 0.000000 0.000000\n0.000000 7.748085 0.000000\n0.000000 3.646612 18.979952\nCs K Mn P Cl O\n2 4 6 8 2 28\ndirect\n0.204656 0.500000 0.250000 Cs\n0.795344 0.500000 0.750000 Cs\n0.220970 0.914524 0.414357 K\n0.220970 0.085476 0.085643 K\n0.779030 0.085476 0.585643 K\n0.779030 0.914524 0.914357 K\n0.214849 0.390583 0.460509 Mn\n0.214849 0.609417 0.039491 Mn\n0.785151 0.609417 0.539491 Mn\n0.785151 0.390583 0.960509 Mn\n0.718174 0.000000 0.250000 Mn\n0.281826 0.000000 0.750000 Mn\n0.719569 0.212794 0.400461 P\n0.719569 0.787206 0.099539 P\n0.280431 0.787206 0.599539 P\n0.280431 0.212794 0.900461 P\n0.690145 0.595444 0.374265 P\n0.690145 0.404556 0.125735 P\n0.309855 0.404556 0.625735 P\n0.309855 0.595444 0.874265 P\n0.219548 0.000000 0.250000 Cl\n0.780452 0.000000 0.750000 Cl\n0.499949 0.211169 0.449807 O\n0.499949 0.788831 0.050193 O\n0.500051 0.788831 0.550193 O\n0.500051 0.211169 0.949807 O\n0.963608 0.202242 0.440654 O\n0.963608 0.797758 0.059346 O\n0.036392 0.797758 0.559346 O\n0.036392 0.202242 0.940654 O\n0.701752 0.079269 0.352556 O\n0.701752 0.920731 0.147444 O\n0.298248 0.920731 0.647444 O\n0.298248 0.079269 0.852556 O\n0.882588 0.591788 0.434076 O\n0.882588 0.408212 0.065924 O\n0.117412 0.408212 0.565924 O\n0.117412 0.591788 0.934076 O\n0.741148 0.730479 0.308632 O\n0.741148 0.269521 0.191368 O\n0.258852 0.269521 0.691368 O\n0.258852 0.730479 0.808632 O\n0.428863 0.597428 0.403288 O\n0.428863 0.402572 0.096712 O\n0.571137 0.402572 0.596712 O\n0.571137 0.597428 0.903288 O\n0.721450 0.407557 0.347422 O\n0.721450 0.592443 0.152578 O\n0.278550 0.592443 0.652578 O\n0.278550 0.407557 0.847422 O\n","nsites":50,"nelements":6,"elements":["Cs","K","Mn","P","Cl","O"],"chemical_system":"Cl-Cs-K-Mn-O-P","density":3.140348052171768,"density_atomic":0.06227024259417272,"volume":802.9517457617713,"volume_molar":9.670976872930241,"formula_full":"Cs2 K4 Mn6 P8 Cl2 O28","formula_reduced":"CsK2Mn3P4ClO14","formula_anonymous":"ABC2D3E4F14","energy":-376.71462779,"energy_per_atom":-7.5342925558000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-346.24262779,"band_gap":3.61,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.0002735,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.344000Z","spacegroup":13},{"id":"mp-758898","created_at":"2022-09-04T14:39:38.096190Z","structure_string":"Ti12 Co6 O32\n1.0\n8.475571 0.000000 0.000000\n0.000000 8.394056 0.000000\n0.000000 0.023719 8.426563\nTi Co O\n12 6 32\ndirect\n0.884924 0.610066 0.867359 Ti\n0.367431 0.109247 0.893546 Ti\n0.645925 0.363761 0.883032 Ti\n0.619995 0.610890 0.619533 Ti\n0.364750 0.864477 0.636125 Ti\n0.111074 0.131625 0.644745 Ti\n0.864750 0.135523 0.363875 Ti\n0.611074 0.868375 0.355255 Ti\n0.119995 0.389110 0.380467 Ti\n0.867431 0.890753 0.106454 Ti\n0.384924 0.389934 0.132641 Ti\n0.145925 0.636239 0.116968 Ti\n0.742569 0.995897 0.745018 Co\n0.258526 0.492199 0.758918 Co\n0.994307 0.758661 0.499422 Co\n0.494307 0.241339 0.500578 Co\n0.758526 0.507801 0.241082 Co\n0.242569 0.004103 0.254982 Co\n0.610109 0.135186 0.851706 O\n0.857299 0.864704 0.886847 O\n0.649123 0.597293 0.847122 O\n0.148007 0.127156 0.853200 O\n0.859512 0.389213 0.879585 O\n0.377501 0.894612 0.850211 O\n0.112046 0.614464 0.891134 O\n0.391555 0.356417 0.897783 O\n0.889723 0.099850 0.617003 O\n0.865312 0.646636 0.636249 O\n0.608866 0.862447 0.614173 O\n0.603761 0.386081 0.631874 O\n0.361721 0.114404 0.632783 O\n0.142651 0.886627 0.603353 O\n0.392449 0.640753 0.633337 O\n0.140864 0.358246 0.606982 O\n0.861721 0.885596 0.367217 O\n0.642651 0.113373 0.396647 O\n0.640864 0.641754 0.393018 O\n0.389723 0.900150 0.382997 O\n0.892449 0.359247 0.366663 O\n0.365312 0.353364 0.363751 O\n0.108866 0.137553 0.385827 O\n0.103761 0.613919 0.368126 O\n0.877501 0.105388 0.149789 O\n0.891555 0.643583 0.102217 O\n0.648007 0.872844 0.146800 O\n0.357299 0.135296 0.113153 O\n0.359512 0.610787 0.120415 O\n0.612046 0.385536 0.108866 O\n0.110109 0.864814 0.148294 O\n0.149123 0.402707 0.152878 O\n","nsites":50,"nelements":3,"elements":["Ti","Co","O"],"chemical_system":"Co-O-Ti","density":3.9885537992188422,"density_atomic":0.08340242987576214,"volume":599.5029170550661,"volume_molar":7.220581905072424,"formula_full":"Ti12 Co6 O32","formula_reduced":"Ti6Co3O16","formula_anonymous":"A3B6C16","energy":-435.09791232,"energy_per_atom":-8.7019582464,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-403.2859123200001,"band_gap":0.5321000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.9999549,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.302000Z","spacegroup":4}]}