{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-nsites&page=22","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-nsites&page=20","results":[{"id":"oqmd-676292","created_at":"2022-09-04T15:52:22.719039Z","updated_at":"2022-09-04T15:52:22.719065Z","structure_string":"Li56 Mn8 N32\n1.0\n9.478500 0.000000 0.000000\n0.000000 9.478500 0.000000\n0.000000 0.000000 9.478500\nLi Mn N\n56 8 32\ndirect\n0.263196 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.736804 0.000000 0.000000 Li\n0.500000 0.250000 0.000000 Li\n0.000000 0.263196 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.736804 0.000000 Li\n0.500000 0.750000 0.000000 Li\n0.748780 0.237967 0.017933 Li\n0.251220 0.762033 0.017933 Li\n0.232786 0.232786 0.232786 Li\n0.767214 0.767214 0.232786 Li\n0.500000 0.500000 0.236804 Li\n0.982067 0.251220 0.237967 Li\n0.017933 0.748780 0.237967 Li\n0.482067 0.262033 0.248780 Li\n0.517933 0.737967 0.248780 Li\n0.000000 0.500000 0.250000 Li\n0.762033 0.017933 0.251220 Li\n0.237967 0.982067 0.251220 Li\n0.248780 0.482067 0.262033 Li\n0.751220 0.517933 0.262033 Li\n0.000000 0.000000 0.263196 Li\n0.732786 0.267214 0.267214 Li\n0.267214 0.732786 0.267214 Li\n0.262033 0.248780 0.482067 Li\n0.737967 0.751220 0.482067 Li\n0.000000 0.000000 0.500000 Li\n0.250000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.750000 0.000000 0.500000 Li\n0.500000 0.236804 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.236804 0.500000 0.500000 Li\n0.763196 0.500000 0.500000 Li\n0.500000 0.763196 0.500000 Li\n0.737967 0.248780 0.517933 Li\n0.262033 0.751220 0.517933 Li\n0.267214 0.267214 0.732786 Li\n0.732786 0.732786 0.732786 Li\n0.000000 0.000000 0.736804 Li\n0.751220 0.482067 0.737967 Li\n0.248780 0.517933 0.737967 Li\n0.237967 0.017933 0.748780 Li\n0.762033 0.982067 0.748780 Li\n0.000000 0.500000 0.750000 Li\n0.517933 0.262033 0.751220 Li\n0.482067 0.737967 0.751220 Li\n0.017933 0.251220 0.762033 Li\n0.982067 0.748780 0.762033 Li\n0.500000 0.500000 0.763196 Li\n0.767214 0.232786 0.767214 Li\n0.232786 0.767214 0.767214 Li\n0.251220 0.237967 0.982067 Li\n0.748780 0.762033 0.982067 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.500000 0.000000 Mn\n0.750000 0.500000 0.000000 Mn\n0.500000 0.000000 0.250000 Mn\n0.000000 0.250000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.750000 0.500000 Mn\n0.500000 0.000000 0.750000 Mn\n0.357113 0.382317 0.107750 N\n0.642887 0.617683 0.107750 N\n0.110123 0.110123 0.110123 N\n0.889877 0.889877 0.110123 N\n0.857113 0.392250 0.117683 N\n0.142887 0.607750 0.117683 N\n0.607750 0.117683 0.142887 N\n0.392250 0.882317 0.142887 N\n0.382317 0.107750 0.357113 N\n0.617683 0.892250 0.357113 N\n0.107750 0.357113 0.382317 N\n0.892250 0.642887 0.382317 N\n0.610123 0.389877 0.389877 N\n0.389877 0.610123 0.389877 N\n0.882317 0.142887 0.392250 N\n0.117683 0.857113 0.392250 N\n0.117683 0.142887 0.607750 N\n0.882317 0.857113 0.607750 N\n0.389877 0.389877 0.610123 N\n0.610123 0.610123 0.610123 N\n0.892250 0.357113 0.617683 N\n0.107750 0.642887 0.617683 N\n0.617683 0.107750 0.642887 N\n0.382317 0.892250 0.642887 N\n0.392250 0.117683 0.857113 N\n0.607750 0.882317 0.857113 N\n0.142887 0.392250 0.882317 N\n0.857113 0.607750 0.882317 N\n0.889877 0.110123 0.889877 N\n0.110123 0.889877 0.889877 N\n0.642887 0.382317 0.892250 N\n0.357113 0.617683 0.892250 N\n","nsites":96,"nelements":3,"elements":["Li","Mn","N"],"chemical_system":"Li-Mn-N","density":2.4889838105868214,"density_atomic":0.112733344037945,"volume":851.5670391866252,"volume_molar":5.341933933914889,"formula_full":"Li56 Mn8 N32","formula_reduced":"Li7MnN4","formula_anonymous":"AB4C7","formation_energy":-0.6301283576180943,"spacegroup":218},{"id":"oqmd-36995","created_at":"2022-09-04T15:52:23.041392Z","updated_at":"2022-09-04T15:52:23.041409Z","structure_string":"Mg4 H48 S8 O36\n1.0\n8.743878 0.000000 0.000000\n0.000000 14.402417 0.000000\n0.000000 0.000000 6.627532\nH Mg O S\n48 4 36 8\ndirect\n0.808157 0.137268 0.056336 H\n0.808157 0.362732 0.056336 H\n0.123150 0.163171 0.067693 H\n0.123150 0.336829 0.067693 H\n0.581220 0.574798 0.140660 H\n0.581220 0.925202 0.140660 H\n0.836384 0.647663 0.161011 H\n0.836384 0.852337 0.161011 H\n0.688508 0.014407 0.185366 H\n0.688508 0.485593 0.185366 H\n0.375206 0.112387 0.226565 H\n0.375206 0.387613 0.226565 H\n0.875206 0.112387 0.273435 H\n0.875206 0.387613 0.273435 H\n0.188508 0.014407 0.314634 H\n0.188508 0.485593 0.314634 H\n0.336384 0.647663 0.338989 H\n0.336384 0.852337 0.338989 H\n0.081220 0.574798 0.359340 H\n0.081220 0.925202 0.359340 H\n0.623150 0.163171 0.432307 H\n0.623150 0.336829 0.432307 H\n0.308157 0.137268 0.443664 H\n0.308157 0.362732 0.443664 H\n0.691843 0.637268 0.556336 H\n0.691843 0.862732 0.556336 H\n0.376850 0.663171 0.567693 H\n0.376850 0.836829 0.567693 H\n0.918780 0.074798 0.640660 H\n0.918780 0.425202 0.640660 H\n0.663616 0.147663 0.661011 H\n0.663616 0.352337 0.661011 H\n0.811492 0.514407 0.685366 H\n0.811492 0.985593 0.685366 H\n0.124794 0.612387 0.726565 H\n0.124794 0.887613 0.726565 H\n0.624794 0.612387 0.773435 H\n0.624794 0.887613 0.773435 H\n0.311492 0.514407 0.814634 H\n0.311492 0.985593 0.814634 H\n0.163616 0.147663 0.838989 H\n0.163616 0.352337 0.838989 H\n0.418780 0.074798 0.859340 H\n0.418780 0.425202 0.859340 H\n0.876850 0.663171 0.932307 H\n0.876850 0.836829 0.932307 H\n0.191843 0.637268 0.943664 H\n0.191843 0.862732 0.943664 H\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.454989 0.165267 0.020200 O\n0.454989 0.334733 0.020200 O\n0.867348 0.614260 0.037388 O\n0.867348 0.885740 0.037388 O\n0.838274 0.084091 0.144901 O\n0.838274 0.415909 0.144901 O\n0.099195 0.250000 0.227851 O\n0.597944 0.521612 0.231362 O\n0.597944 0.978388 0.231362 O\n0.097944 0.521612 0.268638 O\n0.097944 0.978388 0.268638 O\n0.599195 0.250000 0.272149 O\n0.338274 0.084091 0.355099 O\n0.338274 0.415909 0.355099 O\n0.367348 0.614260 0.462612 O\n0.367348 0.885740 0.462612 O\n0.954989 0.165267 0.479800 O\n0.954989 0.334733 0.479800 O\n0.045011 0.665267 0.520200 O\n0.045011 0.834733 0.520200 O\n0.632652 0.114260 0.537388 O\n0.632652 0.385740 0.537388 O\n0.661726 0.584091 0.644901 O\n0.661726 0.915909 0.644901 O\n0.400805 0.750000 0.727851 O\n0.902056 0.021612 0.731362 O\n0.902056 0.478388 0.731362 O\n0.402056 0.021612 0.768638 O\n0.402056 0.478388 0.768638 O\n0.900805 0.750000 0.772149 O\n0.161726 0.584091 0.855099 O\n0.161726 0.915909 0.855099 O\n0.132652 0.114260 0.962612 O\n0.132652 0.385740 0.962612 O\n0.545011 0.665267 0.979800 O\n0.545011 0.834733 0.979800 O\n0.545034 0.250000 0.059467 S\n0.266480 0.750000 0.118196 S\n0.766480 0.750000 0.381804 S\n0.045034 0.250000 0.440533 S\n0.954966 0.750000 0.559467 S\n0.233520 0.250000 0.618196 S\n0.733520 0.250000 0.881804 S\n0.454966 0.750000 0.940533 S\n","nsites":96,"nelements":4,"elements":["H","Mg","O","S"],"chemical_system":"H-Mg-O-S","density":1.9459910537626455,"density_atomic":0.1150217389495177,"volume":834.6248359376116,"volume_molar":5.235654420633545,"formula_full":"Mg4 H48 S8 O36","formula_reduced":"MgH12S2O9","formula_anonymous":"AB2C9D12","formation_energy":-1.3436748757838448,"spacegroup":62},{"id":"oqmd-687877","created_at":"2022-09-04T15:52:22.741809Z","updated_at":"2022-09-04T15:52:22.741846Z","structure_string":"Mg4 H48 C12 S4 O28\n1.0\n7.524254 0.000000 0.000000\n0.000000 9.130622 0.000000\n-3.900149 0.000000 11.711555\nC H Mg O S\n12 48 4 28 4\ndirect\n0.085060 0.673186 0.099688 C\n0.724219 0.972580 0.100096 C\n0.127046 0.182014 0.167215 C\n0.872954 0.682014 0.332785 C\n0.275781 0.472580 0.399904 C\n0.914940 0.173186 0.400312 C\n0.085060 0.826814 0.599688 C\n0.724219 0.527420 0.600096 C\n0.127046 0.317986 0.667215 C\n0.872954 0.817986 0.832785 C\n0.275781 0.027420 0.899904 C\n0.914940 0.326814 0.900312 C\n0.703565 0.932178 0.013638 H\n0.793262 0.323613 0.023961 H\n0.943219 0.694375 0.042226 H\n0.726711 0.092249 0.099261 H\n0.192445 0.111610 0.118219 H\n0.102593 0.555174 0.118582 H\n0.976919 0.160026 0.142443 H\n0.148357 0.296887 0.148592 H\n0.856925 0.928940 0.157804 H\n0.105737 0.733369 0.179247 H\n0.801023 0.556838 0.192416 H\n0.564937 0.976650 0.203093 H\n0.435063 0.476650 0.296907 H\n0.198977 0.056838 0.307584 H\n0.894263 0.233369 0.320753 H\n0.143075 0.428940 0.342196 H\n0.851643 0.796887 0.351408 H\n0.023081 0.660026 0.357557 H\n0.897407 0.055174 0.381418 H\n0.807555 0.611610 0.381781 H\n0.273289 0.592249 0.400739 H\n0.056781 0.194375 0.457774 H\n0.206738 0.823613 0.476039 H\n0.296435 0.432178 0.486362 H\n0.703565 0.567822 0.513638 H\n0.793262 0.176387 0.523961 H\n0.943219 0.805625 0.542226 H\n0.726711 0.407751 0.599261 H\n0.192445 0.388390 0.618219 H\n0.102593 0.944826 0.618582 H\n0.976919 0.339974 0.642443 H\n0.148357 0.203113 0.648592 H\n0.856925 0.571060 0.657804 H\n0.105737 0.766631 0.679247 H\n0.801023 0.943162 0.692416 H\n0.564937 0.523350 0.703093 H\n0.435063 0.023350 0.796907 H\n0.198977 0.443162 0.807584 H\n0.894263 0.266631 0.820753 H\n0.143075 0.071060 0.842196 H\n0.851643 0.703113 0.851408 H\n0.023081 0.839974 0.857557 H\n0.897407 0.444826 0.881418 H\n0.807555 0.888390 0.881781 H\n0.273289 0.907751 0.900739 H\n0.056781 0.305625 0.957774 H\n0.206738 0.676387 0.976039 H\n0.296435 0.067822 0.986362 H\n0.505936 0.707706 0.137906 Mg\n0.494064 0.207706 0.362094 Mg\n0.505936 0.792294 0.637906 Mg\n0.494064 0.292294 0.862094 Mg\n0.445908 0.316444 0.013460 O\n0.223413 0.724904 0.050958 O\n0.568704 0.923901 0.133523 O\n0.750986 0.386237 0.144128 O\n0.463567 0.489865 0.164186 O\n0.538547 0.235542 0.209394 O\n0.789174 0.661727 0.212514 O\n0.210826 0.161727 0.287486 O\n0.461453 0.735542 0.290606 O\n0.536433 0.989865 0.335814 O\n0.249014 0.886237 0.355872 O\n0.431296 0.423901 0.366477 O\n0.776587 0.224904 0.449042 O\n0.554092 0.816444 0.486540 O\n0.445908 0.183556 0.513460 O\n0.223413 0.775096 0.550958 O\n0.568704 0.576099 0.633523 O\n0.750986 0.113763 0.644128 O\n0.463567 0.010135 0.664186 O\n0.538547 0.264458 0.709394 O\n0.789174 0.838273 0.712514 O\n0.210826 0.338273 0.787486 O\n0.461453 0.764458 0.790606 O\n0.536433 0.510135 0.835814 O\n0.249014 0.613763 0.855872 O\n0.431296 0.076099 0.866477 O\n0.776587 0.275096 0.949042 O\n0.554092 0.683556 0.986540 O\n0.550148 0.356050 0.132188 S\n0.449852 0.856050 0.367812 S\n0.550148 0.143950 0.632188 S\n0.449852 0.643950 0.867812 S\n","nsites":96,"nelements":5,"elements":["C","H","Mg","O","S"],"chemical_system":"C-H-Mg-O-S","density":1.7872073204219991,"density_atomic":0.11931439933141284,"volume":804.5969349713293,"volume_molar":5.047287497356158,"formula_full":"Mg4 H48 C12 S4 O28","formula_reduced":"MgH12C3SO7","formula_anonymous":"ABC3D7E12","formation_energy":-0.9829229451267256,"spacegroup":14},{"id":"oqmd-675809","created_at":"2022-09-04T15:52:22.683750Z","updated_at":"2022-09-04T15:52:22.683778Z","structure_string":"Mg8 B32 O56\n1.0\n7.792014 0.000000 0.000000\n0.000000 8.527387 0.000000\n0.000000 0.000000 13.650966\nB Mg O\n32 8 56\ndirect\n0.182684 0.376892 0.037038 B\n0.317316 0.876892 0.037038 B\n0.936433 0.206666 0.066351 B\n0.563567 0.706666 0.066351 B\n0.974805 0.431706 0.166325 B\n0.525195 0.931706 0.166325 B\n0.046119 0.170025 0.236052 B\n0.453881 0.670025 0.236052 B\n0.546119 0.170025 0.263948 B\n0.953881 0.670025 0.263948 B\n0.474805 0.431706 0.333675 B\n0.025195 0.931706 0.333675 B\n0.436433 0.206666 0.433649 B\n0.063567 0.706666 0.433649 B\n0.682684 0.376892 0.462962 B\n0.817316 0.876892 0.462962 B\n0.182684 0.123108 0.537038 B\n0.317316 0.623108 0.537038 B\n0.936433 0.293334 0.566351 B\n0.563567 0.793334 0.566351 B\n0.974805 0.068294 0.666325 B\n0.525195 0.568294 0.666325 B\n0.046119 0.329975 0.736052 B\n0.453881 0.829975 0.736052 B\n0.546119 0.329975 0.763948 B\n0.953881 0.829975 0.763948 B\n0.474805 0.068294 0.833675 B\n0.025195 0.568294 0.833675 B\n0.436433 0.293334 0.933649 B\n0.063567 0.793334 0.933649 B\n0.682684 0.123108 0.962962 B\n0.817316 0.623108 0.962962 B\n0.606302 0.399199 0.108711 Mg\n0.893698 0.899199 0.108711 Mg\n0.106302 0.399199 0.391289 Mg\n0.393698 0.899199 0.391289 Mg\n0.606302 0.100801 0.608711 Mg\n0.893698 0.600801 0.608711 Mg\n0.106302 0.100801 0.891289 Mg\n0.393698 0.600801 0.891289 Mg\n0.082543 0.254243 0.003107 O\n0.417457 0.754243 0.003107 O\n0.839632 0.095244 0.006644 O\n0.660368 0.595244 0.006644 O\n0.852756 0.342063 0.106630 O\n0.647244 0.842063 0.106630 O\n0.134071 0.465434 0.113643 O\n0.365929 0.965434 0.113643 O\n0.001026 0.106889 0.147179 O\n0.498974 0.606889 0.147179 O\n0.609116 0.075143 0.193026 O\n0.890884 0.575143 0.193026 O\n0.527339 0.328503 0.245276 O\n0.972661 0.828503 0.245276 O\n0.027339 0.328503 0.254724 O\n0.472661 0.828503 0.254724 O\n0.109116 0.075143 0.306974 O\n0.390884 0.575143 0.306974 O\n0.501026 0.106889 0.352821 O\n0.998974 0.606889 0.352821 O\n0.634071 0.465434 0.386357 O\n0.865929 0.965434 0.386357 O\n0.352756 0.342063 0.393370 O\n0.147244 0.842063 0.393370 O\n0.339632 0.095244 0.493356 O\n0.160368 0.595244 0.493356 O\n0.582543 0.254243 0.496893 O\n0.917457 0.754243 0.496893 O\n0.082543 0.245757 0.503107 O\n0.417457 0.745757 0.503107 O\n0.839632 0.404756 0.506644 O\n0.660368 0.904756 0.506644 O\n0.852756 0.157937 0.606630 O\n0.647244 0.657937 0.606630 O\n0.134071 0.034566 0.613643 O\n0.365929 0.534566 0.613643 O\n0.001026 0.393111 0.647179 O\n0.498974 0.893111 0.647179 O\n0.609116 0.424857 0.693026 O\n0.890884 0.924857 0.693026 O\n0.527339 0.171497 0.745276 O\n0.972661 0.671497 0.745276 O\n0.027339 0.171497 0.754724 O\n0.472661 0.671497 0.754724 O\n0.109116 0.424857 0.806974 O\n0.390884 0.924857 0.806974 O\n0.501026 0.393111 0.852821 O\n0.998974 0.893111 0.852821 O\n0.634071 0.034566 0.886357 O\n0.865929 0.534566 0.886357 O\n0.352756 0.157937 0.893370 O\n0.147244 0.657937 0.893370 O\n0.339632 0.404756 0.993356 O\n0.160368 0.904756 0.993356 O\n0.582543 0.245757 0.996893 O\n0.917457 0.745757 0.996893 O\n","nsites":96,"nelements":3,"elements":["B","Mg","O"],"chemical_system":"B-Mg-O","density":2.6295584801339102,"density_atomic":0.10583812826318895,"volume":907.0455191845008,"volume_molar":5.689953950267025,"formula_full":"Mg8 B32 O56","formula_reduced":"MgB4O7","formula_anonymous":"AB4C7","formation_energy":-2.765328907838996,"spacegroup":61},{"id":"oqmd-677800","created_at":"2022-09-04T15:52:22.861175Z","updated_at":"2022-09-04T15:52:22.861204Z","structure_string":"P12 H48 N36\n1.0\n10.481620 0.000000 0.000000\n0.000000 5.793539 0.000000\n-1.786490 0.000000 13.229011\nH N P\n48 36 12\ndirect\n0.198261 0.864287 0.018220 H\n0.233984 0.375779 0.029495 H\n0.957279 0.680800 0.042078 H\n0.432253 0.554649 0.042248 H\n0.624121 0.986119 0.049117 H\n0.330822 0.784955 0.101579 H\n0.126271 0.447521 0.113643 H\n0.804512 0.119072 0.140512 H\n0.533224 0.051473 0.144877 H\n0.967621 0.154665 0.155667 H\n0.439665 0.419806 0.156595 H\n0.011539 0.775932 0.160085 H\n0.988461 0.275932 0.339915 H\n0.560335 0.919806 0.343405 H\n0.032379 0.654665 0.344333 H\n0.466776 0.551473 0.355123 H\n0.195488 0.619072 0.359488 H\n0.873729 0.947521 0.386357 H\n0.669178 0.284955 0.398421 H\n0.375879 0.486119 0.450883 H\n0.567747 0.054649 0.457752 H\n0.042721 0.180800 0.457922 H\n0.766016 0.875779 0.470505 H\n0.801739 0.364287 0.481780 H\n0.198261 0.635713 0.518220 H\n0.233984 0.124221 0.529495 H\n0.957279 0.819200 0.542078 H\n0.432253 0.945351 0.542248 H\n0.624121 0.513881 0.549117 H\n0.330822 0.715045 0.601579 H\n0.126271 0.052479 0.613643 H\n0.804512 0.380928 0.640512 H\n0.533224 0.448527 0.644877 H\n0.967621 0.345335 0.655667 H\n0.439665 0.080194 0.656595 H\n0.011539 0.724068 0.660085 H\n0.988461 0.224068 0.839915 H\n0.560335 0.580194 0.843405 H\n0.032379 0.845335 0.844333 H\n0.466776 0.948527 0.855123 H\n0.195488 0.880928 0.859488 H\n0.873729 0.552479 0.886357 H\n0.669178 0.215045 0.898421 H\n0.375879 0.013881 0.950883 H\n0.567747 0.445351 0.957752 H\n0.042721 0.319200 0.957922 H\n0.766016 0.624221 0.970505 H\n0.801739 0.135713 0.981780 H\n0.272616 0.918905 0.071209 N\n0.180390 0.321456 0.084490 N\n0.714110 0.552814 0.099314 N\n0.976005 0.636028 0.117340 N\n0.461338 0.567822 0.118489 N\n0.606016 0.953731 0.121783 N\n0.879403 0.222614 0.124774 N\n0.125844 0.036301 0.221224 N\n0.378073 0.154438 0.223067 N\n0.621927 0.654438 0.276933 N\n0.874156 0.536301 0.278776 N\n0.120597 0.722614 0.375226 N\n0.393984 0.453731 0.378217 N\n0.538662 0.067822 0.381511 N\n0.023995 0.136028 0.382660 N\n0.285890 0.052814 0.400686 N\n0.819610 0.821456 0.415510 N\n0.727384 0.418905 0.428791 N\n0.272616 0.581095 0.571209 N\n0.180390 0.178544 0.584490 N\n0.714110 0.947186 0.599314 N\n0.976005 0.863972 0.617340 N\n0.461338 0.932178 0.618489 N\n0.606016 0.546269 0.621783 N\n0.879403 0.277386 0.624774 N\n0.125844 0.463699 0.721224 N\n0.378073 0.345562 0.723067 N\n0.621927 0.845562 0.776933 N\n0.874156 0.963699 0.778776 N\n0.120597 0.777386 0.875226 N\n0.393984 0.046269 0.878217 N\n0.538662 0.432178 0.881511 N\n0.023995 0.363972 0.882660 N\n0.285890 0.447186 0.900686 N\n0.819610 0.678544 0.915510 N\n0.727384 0.081095 0.928791 N\n0.606454 0.678193 0.155901 P\n0.239653 0.107525 0.156261 P\n0.854601 0.493845 0.158403 P\n0.145399 0.993845 0.341597 P\n0.760347 0.607525 0.343739 P\n0.393546 0.178193 0.344099 P\n0.606454 0.821807 0.655901 P\n0.239653 0.392475 0.656261 P\n0.854601 0.006155 0.658403 P\n0.145399 0.506155 0.841597 P\n0.760347 0.892475 0.843739 P\n0.393546 0.321807 0.844099 P\n","nsites":96,"nelements":3,"elements":["H","N","P"],"chemical_system":"H-N-P","density":1.9105826710365592,"density_atomic":0.11950099183957352,"volume":803.340612677735,"volume_molar":5.039406508093709,"formula_full":"P12 H48 N36","formula_reduced":"PH4N3","formula_anonymous":"AB3C4","formation_energy":-0.4832070974450602,"spacegroup":14},{"id":"oqmd-12564","created_at":"2022-09-04T14:49:03.656472Z","updated_at":"2022-09-04T14:49:03.656500Z","structure_string":"Li56 P8 N32\n1.0\n9.316110 0.000000 0.000000\n0.000000 9.316110 0.000000\n0.000000 0.000000 9.316110\nLi N P\n56 32 8\ndirect\n0.264652 0.000000 0.000000 Li\n0.499999 0.000000 0.000000 Li\n0.735348 0.000000 0.000000 Li\n0.499999 0.250000 0.000000 Li\n0.000000 0.264652 0.000000 Li\n0.000000 0.499999 0.000000 Li\n0.499999 0.499999 0.000000 Li\n0.000000 0.735348 0.000000 Li\n0.499999 0.750000 0.000000 Li\n0.746861 0.235750 0.024068 Li\n0.253139 0.764250 0.024068 Li\n0.226441 0.226441 0.226441 Li\n0.773559 0.773559 0.226441 Li\n0.499999 0.499999 0.235347 Li\n0.975932 0.253139 0.235750 Li\n0.024068 0.746861 0.235750 Li\n0.475931 0.264250 0.246862 Li\n0.524069 0.735750 0.246862 Li\n0.000000 0.499999 0.250000 Li\n0.764250 0.024068 0.253139 Li\n0.235750 0.975932 0.253139 Li\n0.246862 0.475931 0.264250 Li\n0.753138 0.524069 0.264250 Li\n0.000000 0.000000 0.264652 Li\n0.726442 0.273558 0.273558 Li\n0.273558 0.726442 0.273558 Li\n0.264250 0.246862 0.475931 Li\n0.735750 0.753138 0.475931 Li\n0.000000 0.000000 0.499999 Li\n0.250000 0.000000 0.499999 Li\n0.499999 0.000000 0.499999 Li\n0.750000 0.000000 0.499999 Li\n0.499999 0.235347 0.499999 Li\n0.000000 0.499999 0.499999 Li\n0.235347 0.499999 0.499999 Li\n0.764653 0.499999 0.499999 Li\n0.499999 0.764653 0.499999 Li\n0.735750 0.246862 0.524069 Li\n0.264250 0.753138 0.524069 Li\n0.273558 0.273558 0.726442 Li\n0.726442 0.726442 0.726442 Li\n0.000000 0.000000 0.735348 Li\n0.753138 0.475931 0.735750 Li\n0.246862 0.524069 0.735750 Li\n0.235750 0.024068 0.746861 Li\n0.764250 0.975932 0.746861 Li\n0.000000 0.499999 0.750000 Li\n0.524069 0.264250 0.753138 Li\n0.475931 0.735750 0.753138 Li\n0.024068 0.253139 0.764250 Li\n0.975932 0.746861 0.764250 Li\n0.499999 0.499999 0.764653 Li\n0.773559 0.226441 0.773559 Li\n0.226441 0.773559 0.773559 Li\n0.253139 0.235750 0.975932 Li\n0.746861 0.764250 0.975932 Li\n0.351223 0.386954 0.100361 N\n0.648777 0.613046 0.100361 N\n0.104204 0.104204 0.104204 N\n0.895796 0.895796 0.104204 N\n0.851222 0.399639 0.113046 N\n0.148778 0.600361 0.113046 N\n0.600361 0.113046 0.148778 N\n0.399639 0.886954 0.148778 N\n0.386954 0.100361 0.351223 N\n0.613046 0.899639 0.351223 N\n0.100361 0.351223 0.386954 N\n0.899639 0.648777 0.386954 N\n0.604205 0.395795 0.395795 N\n0.395795 0.604205 0.395795 N\n0.886954 0.148778 0.399639 N\n0.113046 0.851222 0.399639 N\n0.113046 0.148778 0.600361 N\n0.886954 0.851222 0.600361 N\n0.395795 0.395795 0.604205 N\n0.604205 0.604205 0.604205 N\n0.899639 0.351223 0.613046 N\n0.100361 0.648777 0.613046 N\n0.613046 0.100361 0.648777 N\n0.386954 0.899639 0.648777 N\n0.399639 0.113046 0.851222 N\n0.600361 0.886954 0.851222 N\n0.148778 0.399639 0.886954 N\n0.851222 0.600361 0.886954 N\n0.895796 0.104204 0.895796 N\n0.104204 0.895796 0.895796 N\n0.648777 0.386954 0.899639 N\n0.351223 0.613046 0.899639 N\n0.000000 0.000000 0.000000 P\n0.250000 0.499999 0.000000 P\n0.750000 0.499999 0.000000 P\n0.499999 0.000000 0.250000 P\n0.000000 0.250000 0.499999 P\n0.499999 0.499999 0.499999 P\n0.000000 0.750000 0.499999 P\n0.499999 0.000000 0.750000 P\n","nsites":96,"nelements":3,"elements":["Li","N","P"],"chemical_system":"Li-N-P","density":2.2276918332869573,"density_atomic":0.11873189779392251,"volume":808.5443068266522,"volume_molar":5.072049610840343,"formula_full":"Li56 P8 N32","formula_reduced":"Li7PN4","formula_anonymous":"AB4C7","formation_energy":-0.81198760690283,"spacegroup":218},{"id":"oqmd-711495","created_at":"2022-09-04T15:19:30.745408Z","updated_at":"2022-09-04T15:19:30.745436Z","structure_string":"Na8 Ge28 O60\n1.0\n7.512284 0.000000 0.000000\n0.000000 17.225486 0.000000\n0.000000 0.000000 9.984940\nGe Na O\n28 8 60\ndirect\n0.712952 0.342691 0.027969 Ge\n0.787047 0.842691 0.027969 Ge\n0.283971 0.340727 0.031999 Ge\n0.216029 0.840727 0.031999 Ge\n0.213383 0.057648 0.249787 Ge\n0.286617 0.557649 0.249787 Ge\n0.000000 0.409957 0.250000 Ge\n0.500000 0.909956 0.250000 Ge\n0.786617 0.057648 0.250213 Ge\n0.713384 0.557649 0.250213 Ge\n0.716029 0.340727 0.468001 Ge\n0.783971 0.840727 0.468001 Ge\n0.287047 0.342691 0.472031 Ge\n0.212953 0.842691 0.472031 Ge\n0.787047 0.157309 0.527969 Ge\n0.712952 0.657309 0.527969 Ge\n0.216029 0.159273 0.531999 Ge\n0.283971 0.659273 0.531999 Ge\n0.286617 0.442352 0.749787 Ge\n0.213383 0.942351 0.749787 Ge\n0.500000 0.090043 0.750000 Ge\n0.000000 0.590044 0.750000 Ge\n0.713384 0.442352 0.750213 Ge\n0.786617 0.942351 0.750213 Ge\n0.783971 0.159273 0.968001 Ge\n0.716029 0.659273 0.968001 Ge\n0.212953 0.157309 0.972031 Ge\n0.287047 0.657309 0.972031 Ge\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.229334 0.250000 Na\n0.500000 0.729334 0.250000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.270666 0.750000 Na\n0.000000 0.770666 0.750000 Na\n0.793391 0.247840 0.060584 O\n0.706609 0.747840 0.060584 O\n0.715938 0.089221 0.089245 O\n0.784061 0.589221 0.089245 O\n0.498890 0.357406 0.093652 O\n0.001110 0.857406 0.093652 O\n0.850092 0.411654 0.097853 O\n0.649908 0.911654 0.097853 O\n0.201648 0.144853 0.150515 O\n0.298353 0.644853 0.150515 O\n0.139963 0.332151 0.166325 O\n0.360037 0.832151 0.166325 O\n0.148955 0.489381 0.178116 O\n0.351045 0.989382 0.178116 O\n0.000000 0.016584 0.250000 O\n0.500000 0.516584 0.250000 O\n0.851045 0.489381 0.321884 O\n0.648954 0.989382 0.321884 O\n0.860038 0.332151 0.333675 O\n0.639963 0.832151 0.333675 O\n0.798352 0.144853 0.349485 O\n0.701648 0.644853 0.349485 O\n0.149908 0.411654 0.402147 O\n0.350092 0.911654 0.402147 O\n0.501110 0.357406 0.406348 O\n0.998890 0.857406 0.406348 O\n0.284061 0.089221 0.410755 O\n0.215938 0.589221 0.410755 O\n0.206608 0.247840 0.439416 O\n0.293391 0.747840 0.439416 O\n0.706609 0.252160 0.560584 O\n0.793391 0.752161 0.560584 O\n0.784061 0.410779 0.589245 O\n0.715938 0.910779 0.589245 O\n0.001110 0.142594 0.593652 O\n0.498890 0.642594 0.593652 O\n0.649908 0.088346 0.597853 O\n0.850092 0.588346 0.597853 O\n0.298353 0.355147 0.650515 O\n0.201648 0.855147 0.650515 O\n0.360037 0.167849 0.666325 O\n0.139963 0.667849 0.666325 O\n0.351045 0.010619 0.678116 O\n0.148955 0.510618 0.678116 O\n0.500000 0.483416 0.750000 O\n0.000000 0.983416 0.750000 O\n0.648954 0.010619 0.821884 O\n0.851045 0.510618 0.821884 O\n0.639963 0.167849 0.833675 O\n0.860038 0.667849 0.833675 O\n0.701648 0.355147 0.849485 O\n0.798352 0.855147 0.849485 O\n0.350092 0.088346 0.902147 O\n0.149908 0.588346 0.902147 O\n0.998890 0.142594 0.906348 O\n0.501110 0.642594 0.906348 O\n0.215938 0.410779 0.910755 O\n0.284061 0.910779 0.910755 O\n0.293391 0.252160 0.939416 O\n0.206608 0.752161 0.939416 O\n","nsites":96,"nelements":3,"elements":["Ge","Na","O"],"chemical_system":"Ge-Na-O","density":4.08401201560449,"density_atomic":0.07429888418704142,"volume":1292.0786233926176,"volume_molar":8.105290982351429,"formula_full":"Na8 Ge28 O60","formula_reduced":"Na2Ge7O15","formula_anonymous":"A2B7C15","formation_energy":-1.92860545509936,"spacegroup":60},{"id":"oqmd-22812","created_at":"2022-09-04T14:49:17.673492Z","updated_at":"2022-09-04T14:49:17.673517Z","structure_string":"K32 Li8 I8 O48\n1.0\n12.716773 0.000000 0.000000\n0.000000 9.876071 0.000000\n0.000000 0.000000 10.678318\nI K Li O\n8 32 8 48\ndirect\n0.392335 0.046507 0.238926 I\n0.107665 0.546507 0.238926 I\n0.892334 0.046507 0.261074 I\n0.607665 0.546507 0.261074 I\n0.392335 0.453491 0.738926 I\n0.107665 0.953492 0.738926 I\n0.892334 0.453491 0.761074 I\n0.607665 0.953492 0.761074 I\n0.073904 0.157131 0.026411 K\n0.426096 0.657132 0.026411 K\n0.890400 0.441295 0.066820 K\n0.609601 0.941293 0.066820 K\n0.314578 0.370057 0.083255 K\n0.185420 0.870058 0.083255 K\n0.685044 0.206985 0.182375 K\n0.814955 0.706985 0.182375 K\n0.185044 0.206985 0.317624 K\n0.314955 0.706985 0.317624 K\n0.814579 0.370057 0.416744 K\n0.685421 0.870058 0.416744 K\n0.390400 0.441295 0.433181 K\n0.109600 0.941293 0.433181 K\n0.573904 0.157131 0.473591 K\n0.926096 0.657132 0.473591 K\n0.073904 0.342869 0.526410 K\n0.426096 0.842869 0.526410 K\n0.890400 0.058705 0.566819 K\n0.609601 0.558705 0.566819 K\n0.314578 0.129943 0.583255 K\n0.185420 0.629944 0.583255 K\n0.685044 0.293015 0.682375 K\n0.814955 0.793016 0.682375 K\n0.185044 0.293015 0.817624 K\n0.314955 0.793016 0.817624 K\n0.814579 0.129943 0.916746 K\n0.685421 0.629944 0.916746 K\n0.390400 0.058705 0.933181 K\n0.109600 0.558705 0.933181 K\n0.573904 0.342869 0.973591 K\n0.926096 0.842869 0.973591 K\n0.990162 0.301484 0.248494 Li\n0.509838 0.801485 0.248494 Li\n0.490162 0.301484 0.251507 Li\n0.009838 0.801485 0.251507 Li\n0.990162 0.198516 0.748493 Li\n0.509838 0.698516 0.748493 Li\n0.490162 0.198516 0.751506 Li\n0.009838 0.698516 0.751506 Li\n0.487087 0.149382 0.136355 O\n0.012914 0.649383 0.136355 O\n0.279962 0.108079 0.137053 O\n0.220037 0.608079 0.137053 O\n0.099809 0.384983 0.139553 O\n0.400190 0.884984 0.139553 O\n0.701628 0.464957 0.147390 O\n0.798372 0.964957 0.147390 O\n0.890260 0.202380 0.154777 O\n0.609740 0.702381 0.154777 O\n0.488453 0.472734 0.174228 O\n0.011548 0.972734 0.174228 O\n0.988453 0.472734 0.325773 O\n0.511548 0.972734 0.325773 O\n0.390260 0.202380 0.345223 O\n0.109740 0.702381 0.345223 O\n0.201628 0.464957 0.352610 O\n0.298372 0.964957 0.352610 O\n0.599809 0.384983 0.360447 O\n0.900190 0.884984 0.360447 O\n0.779962 0.108079 0.362946 O\n0.720037 0.608079 0.362946 O\n0.987087 0.149382 0.363645 O\n0.512914 0.649383 0.363645 O\n0.487087 0.350617 0.636355 O\n0.012914 0.850617 0.636355 O\n0.279962 0.391921 0.637054 O\n0.220037 0.891921 0.637054 O\n0.099809 0.115017 0.639553 O\n0.400190 0.615017 0.639553 O\n0.701628 0.035043 0.647390 O\n0.798372 0.535044 0.647390 O\n0.890260 0.297620 0.654777 O\n0.609740 0.797621 0.654777 O\n0.488453 0.027266 0.674227 O\n0.011548 0.527266 0.674227 O\n0.988453 0.027266 0.825772 O\n0.511548 0.527266 0.825772 O\n0.390260 0.297620 0.845222 O\n0.109740 0.797621 0.845222 O\n0.201628 0.035043 0.852609 O\n0.298372 0.535044 0.852609 O\n0.599809 0.115017 0.860447 O\n0.900190 0.615017 0.860447 O\n0.779962 0.391921 0.862946 O\n0.720037 0.891921 0.862946 O\n0.987087 0.350617 0.863645 O\n0.512914 0.850617 0.863645 O\n","nsites":96,"nelements":4,"elements":["I","K","Li","O"],"chemical_system":"I-K-Li-O","density":3.825840119087759,"density_atomic":0.07158256570651762,"volume":1341.1086771266591,"volume_molar":8.41285961261889,"formula_full":"K32 Li8 I8 O48","formula_reduced":"K4LiIO6","formula_anonymous":"ABC4D6","formation_energy":-1.48987793439174,"spacegroup":61},{"id":"oqmd-30678","created_at":"2022-09-04T15:03:05.819059Z","updated_at":"2022-09-04T15:03:05.819069Z","structure_string":"Li56 Ni8 N32\n1.0\n9.509217 0.000000 0.000000\n0.000000 9.509217 0.000000\n0.000000 0.000000 9.509217\nLi N Ni\n56 32 8\ndirect\n0.261111 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.738889 0.000000 0.000000 Li\n0.500000 0.250000 0.000000 Li\n0.000000 0.261111 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.738889 0.000000 Li\n0.500000 0.750000 0.000000 Li\n0.749797 0.241343 0.015446 Li\n0.250204 0.758657 0.015446 Li\n0.235714 0.235714 0.235714 Li\n0.764286 0.764286 0.235714 Li\n0.500000 0.500000 0.238889 Li\n0.984554 0.250204 0.241343 Li\n0.015446 0.749797 0.241343 Li\n0.484553 0.258656 0.249797 Li\n0.515446 0.741343 0.249797 Li\n0.000000 0.500000 0.250000 Li\n0.758657 0.015446 0.250204 Li\n0.241343 0.984554 0.250204 Li\n0.249797 0.484553 0.258656 Li\n0.750203 0.515446 0.258656 Li\n0.000000 0.000000 0.261111 Li\n0.735715 0.264286 0.264286 Li\n0.264286 0.735715 0.264286 Li\n0.258656 0.249797 0.484553 Li\n0.741343 0.750203 0.484553 Li\n0.000000 0.000000 0.500000 Li\n0.250000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.750000 0.000000 0.500000 Li\n0.500000 0.238889 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.238889 0.500000 0.500000 Li\n0.761111 0.500000 0.500000 Li\n0.500000 0.761111 0.500000 Li\n0.741343 0.249797 0.515446 Li\n0.258656 0.750203 0.515446 Li\n0.264286 0.264286 0.735715 Li\n0.735715 0.735715 0.735715 Li\n0.000000 0.000000 0.738889 Li\n0.750203 0.484553 0.741343 Li\n0.249797 0.515446 0.741343 Li\n0.241343 0.015446 0.749797 Li\n0.758657 0.984554 0.749797 Li\n0.000000 0.500000 0.750000 Li\n0.515446 0.258656 0.750203 Li\n0.484553 0.741343 0.750203 Li\n0.015446 0.250204 0.758657 Li\n0.984554 0.749797 0.758657 Li\n0.500000 0.500000 0.761111 Li\n0.764286 0.235714 0.764286 Li\n0.235714 0.764286 0.764286 Li\n0.250204 0.241343 0.984554 Li\n0.749797 0.758657 0.984554 Li\n0.358696 0.378476 0.111052 N\n0.641304 0.621524 0.111052 N\n0.111776 0.111776 0.111776 N\n0.888225 0.888225 0.111776 N\n0.858696 0.388948 0.121524 N\n0.141304 0.611052 0.121524 N\n0.611052 0.121524 0.141304 N\n0.388948 0.878476 0.141304 N\n0.378476 0.111052 0.358696 N\n0.621524 0.888948 0.358696 N\n0.111052 0.358696 0.378476 N\n0.888948 0.641304 0.378476 N\n0.611775 0.388224 0.388224 N\n0.388224 0.611775 0.388224 N\n0.878476 0.141304 0.388948 N\n0.121524 0.858696 0.388948 N\n0.121524 0.141304 0.611052 N\n0.878476 0.858696 0.611052 N\n0.388224 0.388224 0.611775 N\n0.611775 0.611775 0.611775 N\n0.888948 0.358696 0.621524 N\n0.111052 0.641304 0.621524 N\n0.621524 0.111052 0.641304 N\n0.378476 0.888948 0.641304 N\n0.388948 0.121524 0.858696 N\n0.611052 0.878476 0.858696 N\n0.141304 0.388948 0.878476 N\n0.858696 0.611052 0.878476 N\n0.888225 0.111776 0.888225 N\n0.111776 0.888225 0.888225 N\n0.641304 0.378476 0.888948 N\n0.358696 0.621524 0.888948 N\n0.000000 0.000000 0.000000 Ni\n0.250000 0.500000 0.000000 Ni\n0.750000 0.500000 0.000000 Ni\n0.500000 0.000000 0.250000 Ni\n0.000000 0.250000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.750000 0.500000 Ni\n0.500000 0.000000 0.750000 Ni\n","nsites":96,"nelements":3,"elements":["Li","N","Ni"],"chemical_system":"Li-N-Ni","density":2.5229587086060787,"density_atomic":0.11164440377505133,"volume":859.8729246960489,"volume_molar":5.39403727940884,"formula_full":"Li56 Ni8 N32","formula_reduced":"Li7NiN4","formula_anonymous":"AB4C7","formation_energy":-0.297496519802002,"spacegroup":218},{"id":"oqmd-5407","created_at":"2022-09-04T14:49:19.591797Z","updated_at":"2022-09-04T14:49:19.591838Z","structure_string":"B36 H60\n1.0\n10.684654 0.000000 0.000000\n0.000000 6.652565 0.000000\n-6.987102 0.000000 10.576220\nB H\n36 60\ndirect\n0.207783 0.881932 0.033700 B\n0.826190 0.522395 0.048677 B\n0.374906 0.957953 0.053416 B\n0.203965 0.635095 0.077381 B\n0.912916 0.289166 0.086085 B\n0.797630 0.116220 0.106256 B\n0.520593 0.765719 0.133741 B\n0.827232 0.369674 0.161489 B\n0.376437 0.803324 0.167320 B\n0.623563 0.303324 0.332680 B\n0.172768 0.869674 0.338511 B\n0.479407 0.265719 0.366259 B\n0.202370 0.616220 0.393744 B\n0.087084 0.789166 0.413915 B\n0.796035 0.135095 0.422619 B\n0.625094 0.457953 0.446584 B\n0.173810 0.022395 0.451323 B\n0.792217 0.381932 0.466300 B\n0.207783 0.618068 0.533700 B\n0.826190 0.977605 0.548677 B\n0.374906 0.542047 0.553416 B\n0.203965 0.864905 0.577381 B\n0.912916 0.210834 0.586085 B\n0.797630 0.383780 0.606256 B\n0.520593 0.734281 0.633741 B\n0.827232 0.130326 0.661489 B\n0.376437 0.696676 0.667320 B\n0.623563 0.196676 0.832680 B\n0.172768 0.630326 0.838511 B\n0.479407 0.234281 0.866259 B\n0.202370 0.883780 0.893744 B\n0.087084 0.710834 0.913915 B\n0.796035 0.364905 0.922619 B\n0.625094 0.042047 0.946584 B\n0.173810 0.477605 0.951323 B\n0.792217 0.118068 0.966300 B\n0.453444 0.869810 0.019782 H\n0.149052 0.012862 0.056019 H\n0.879313 0.686278 0.072670 H\n0.407870 0.131774 0.072816 H\n0.282541 0.482886 0.073824 H\n0.520884 0.618020 0.077503 H\n0.730710 0.514389 0.086338 H\n0.720044 0.237038 0.133732 H\n0.152695 0.576722 0.134483 H\n0.045487 0.270681 0.140094 H\n0.849246 0.988439 0.184903 H\n0.458977 0.650661 0.186037 H\n0.641747 0.829947 0.212399 H\n0.120070 0.922943 0.232556 H\n0.590388 0.368591 0.232723 H\n0.409612 0.868591 0.267277 H\n0.879930 0.422943 0.267444 H\n0.358253 0.329947 0.287601 H\n0.541023 0.150661 0.313963 H\n0.150754 0.488439 0.315097 H\n0.954513 0.770681 0.359906 H\n0.847305 0.076722 0.365517 H\n0.279956 0.737038 0.366268 H\n0.269290 0.014389 0.413662 H\n0.479116 0.118020 0.422497 H\n0.717459 0.982886 0.426176 H\n0.592130 0.631774 0.427184 H\n0.120687 0.186278 0.427330 H\n0.850948 0.512862 0.443981 H\n0.546556 0.369810 0.480218 H\n0.453444 0.630190 0.519782 H\n0.149052 0.487138 0.556019 H\n0.879313 0.813722 0.572670 H\n0.407870 0.368226 0.572816 H\n0.282541 0.017114 0.573824 H\n0.520884 0.881980 0.577503 H\n0.730710 0.985611 0.586338 H\n0.720044 0.262962 0.633732 H\n0.152695 0.923278 0.634483 H\n0.045487 0.229319 0.640094 H\n0.849246 0.511561 0.684903 H\n0.458977 0.849339 0.686037 H\n0.641747 0.670053 0.712399 H\n0.120070 0.577057 0.732556 H\n0.590388 0.131409 0.732723 H\n0.409612 0.631409 0.767277 H\n0.879930 0.077057 0.767444 H\n0.358253 0.170053 0.787601 H\n0.541023 0.349339 0.813963 H\n0.150754 0.011561 0.815097 H\n0.954513 0.729319 0.859906 H\n0.847305 0.423278 0.865517 H\n0.279956 0.762962 0.866268 H\n0.269290 0.485611 0.913662 H\n0.479116 0.381980 0.922497 H\n0.717459 0.517114 0.926176 H\n0.592130 0.868226 0.927184 H\n0.120687 0.313722 0.927330 H\n0.850948 0.987138 0.943981 H\n0.546556 0.130190 0.980218 H\n","nsites":96,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":0.9932653009380427,"density_atomic":0.12770007939304634,"volume":751.761474670058,"volume_molar":4.715847310841941,"formula_full":"B36 H60","formula_reduced":"B3H5","formula_anonymous":"A3B5","formation_energy":-0.0572294036567762,"spacegroup":14},{"id":"oqmd-24729","created_at":"2022-09-04T14:49:20.092470Z","updated_at":"2022-09-04T14:49:20.092501Z","structure_string":"La30 B28 C38\n1.0\n8.657944 0.000000 0.227175\n0.000000 8.672492 0.000000\n-1.030580 0.000000 19.522555\nB C La\n28 38 30\ndirect\n0.201795 0.101396 0.037536 B\n0.437306 0.671801 0.069125 B\n0.971169 0.473953 0.071787 B\n0.749643 0.992933 0.100667 B\n0.331307 0.222791 0.160852 B\n0.541917 0.629716 0.209278 B\n0.916575 0.412053 0.213588 B\n0.083425 0.912054 0.286413 B\n0.458084 0.129717 0.290722 B\n0.668692 0.722792 0.339149 B\n0.250359 0.492932 0.399332 B\n0.028831 0.973953 0.428213 B\n0.562694 0.171800 0.430874 B\n0.798204 0.601396 0.462464 B\n0.201795 0.398604 0.537536 B\n0.437306 0.828200 0.569126 B\n0.971169 0.026048 0.571788 B\n0.749642 0.507069 0.600668 B\n0.331307 0.277209 0.660851 B\n0.541916 0.870282 0.709279 B\n0.916574 0.087947 0.713587 B\n0.083426 0.587946 0.786413 B\n0.458084 0.370282 0.790722 B\n0.668692 0.777209 0.839148 B\n0.250359 0.007068 0.899332 B\n0.028831 0.526046 0.928213 B\n0.562694 0.328200 0.930875 B\n0.798204 0.898603 0.962464 B\n0.000000 0.500000 0.000000 C\n0.603178 0.312351 0.003395 C\n0.794687 0.916456 0.037817 C\n0.310459 0.143895 0.094711 C\n0.513772 0.637737 0.134779 C\n0.936536 0.415390 0.139024 C\n0.123494 0.809539 0.154240 C\n0.736498 0.022047 0.173378 C\n0.112806 0.832587 0.222110 C\n0.396851 0.221627 0.230644 C\n0.603148 0.721628 0.269357 C\n0.887192 0.332586 0.277890 C\n0.263503 0.522048 0.326623 C\n0.876506 0.309538 0.345760 C\n0.063464 0.915390 0.360975 C\n0.486229 0.137738 0.365221 C\n0.689540 0.643895 0.405289 C\n0.205314 0.416457 0.462183 C\n0.396823 0.812350 0.496606 C\n0.000000 0.000000 0.500000 C\n0.603177 0.187650 0.503395 C\n0.794686 0.583543 0.537818 C\n0.310460 0.356104 0.594711 C\n0.513772 0.862263 0.634779 C\n0.936536 0.084609 0.639024 C\n0.123493 0.690461 0.654240 C\n0.736498 0.477953 0.673377 C\n0.112806 0.667415 0.722110 C\n0.396851 0.278373 0.730643 C\n0.603148 0.778373 0.769357 C\n0.887193 0.167413 0.777890 C\n0.263501 0.977953 0.826623 C\n0.876506 0.190462 0.845760 C\n0.063464 0.584611 0.860976 C\n0.486227 0.362264 0.865221 C\n0.689539 0.856103 0.905289 C\n0.205314 0.083543 0.962183 C\n0.396823 0.687650 0.996605 C\n0.500001 0.000000 0.000000 La\n0.305139 0.393408 0.011925 La\n0.108800 0.793963 0.024177 La\n0.632533 0.308485 0.137594 La\n0.028822 0.111666 0.157617 La\n0.825691 0.722179 0.166667 La\n0.428676 0.925974 0.180371 La\n0.234859 0.528058 0.196475 La\n0.765141 0.028059 0.303525 La\n0.571323 0.425976 0.319628 La\n0.174309 0.222178 0.333332 La\n0.971178 0.611666 0.342383 La\n0.367468 0.808485 0.362405 La\n0.891199 0.293963 0.475823 La\n0.694860 0.893409 0.488076 La\n0.500001 0.500000 0.500000 La\n0.305139 0.106591 0.511924 La\n0.108800 0.706037 0.524178 La\n0.632533 0.191515 0.637595 La\n0.028822 0.388334 0.657617 La\n0.825691 0.777823 0.666668 La\n0.428676 0.574024 0.680371 La\n0.234859 0.971942 0.696475 La\n0.765141 0.471942 0.803525 La\n0.571323 0.074025 0.819628 La\n0.174309 0.277821 0.833333 La\n0.971178 0.888333 0.842383 La\n0.367468 0.691515 0.862406 La\n0.891199 0.206037 0.975822 La\n0.694860 0.606593 0.988076 La\n","nsites":96,"nelements":3,"elements":["B","C","La"],"chemical_system":"B-C-La","density":5.572776191134736,"density_atomic":0.06539954987167935,"volume":1467.9000113664679,"volume_molar":9.208229677140071,"formula_full":"La30 B28 C38","formula_reduced":"La15B14C19","formula_anonymous":"A14B15C19","formation_energy":-0.343416404531249,"spacegroup":14},{"id":"oqmd-8380","created_at":"2022-09-04T15:03:03.930583Z","updated_at":"2022-09-04T15:03:03.930607Z","structure_string":"Li56 V8 N32\n1.0\n9.539629 0.000000 0.000000\n0.000000 9.539629 0.000000\n0.000000 0.000000 9.539629\nLi N V\n56 32 8\ndirect\n0.264412 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.735588 0.000000 0.000000 Li\n0.500000 0.250000 0.000000 Li\n0.000000 0.264412 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.735588 0.000000 Li\n0.500000 0.750000 0.000000 Li\n0.749840 0.236352 0.014556 Li\n0.250160 0.763647 0.014556 Li\n0.500000 0.500000 0.235589 Li\n0.235717 0.235717 0.235717 Li\n0.764283 0.764283 0.235717 Li\n0.985444 0.250160 0.236352 Li\n0.014556 0.749840 0.236352 Li\n0.485444 0.263648 0.249841 Li\n0.514556 0.736353 0.249841 Li\n0.000000 0.500000 0.250000 Li\n0.763647 0.014556 0.250160 Li\n0.236352 0.985444 0.250160 Li\n0.249841 0.485444 0.263648 Li\n0.750159 0.514556 0.263648 Li\n0.735716 0.264283 0.264283 Li\n0.264283 0.735716 0.264283 Li\n0.000000 0.000000 0.264412 Li\n0.263648 0.249841 0.485444 Li\n0.736353 0.750159 0.485444 Li\n0.000000 0.000000 0.500000 Li\n0.250000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.750000 0.000000 0.500000 Li\n0.500000 0.235589 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.235589 0.500000 0.500000 Li\n0.764411 0.500000 0.500000 Li\n0.500000 0.764411 0.500000 Li\n0.736353 0.249841 0.514556 Li\n0.263648 0.750159 0.514556 Li\n0.000000 0.000000 0.735588 Li\n0.264283 0.264283 0.735716 Li\n0.735716 0.735716 0.735716 Li\n0.750159 0.485444 0.736353 Li\n0.249841 0.514556 0.736353 Li\n0.236352 0.014556 0.749840 Li\n0.763647 0.985444 0.749840 Li\n0.000000 0.500000 0.750000 Li\n0.514556 0.263648 0.750159 Li\n0.485444 0.736353 0.750159 Li\n0.014556 0.250160 0.763647 Li\n0.985444 0.749840 0.763647 Li\n0.764283 0.235717 0.764283 Li\n0.235717 0.764283 0.764283 Li\n0.500000 0.500000 0.764411 Li\n0.250160 0.236352 0.985444 Li\n0.749840 0.763647 0.985444 Li\n0.358512 0.383436 0.109088 N\n0.641488 0.616564 0.109088 N\n0.111147 0.111147 0.111147 N\n0.888853 0.888853 0.111147 N\n0.858511 0.390911 0.116564 N\n0.141488 0.609089 0.116564 N\n0.609089 0.116564 0.141488 N\n0.390911 0.883436 0.141488 N\n0.383436 0.109088 0.358512 N\n0.616564 0.890912 0.358512 N\n0.109088 0.358512 0.383436 N\n0.890912 0.641488 0.383436 N\n0.611146 0.388854 0.388854 N\n0.388854 0.611146 0.388854 N\n0.883436 0.141488 0.390911 N\n0.116564 0.858511 0.390911 N\n0.116564 0.141488 0.609089 N\n0.883436 0.858511 0.609089 N\n0.388854 0.388854 0.611146 N\n0.611146 0.611146 0.611146 N\n0.890912 0.358512 0.616564 N\n0.109088 0.641488 0.616564 N\n0.616564 0.109088 0.641488 N\n0.383436 0.890912 0.641488 N\n0.390911 0.116564 0.858511 N\n0.609089 0.883436 0.858511 N\n0.141488 0.390911 0.883436 N\n0.858511 0.609089 0.883436 N\n0.888853 0.111147 0.888853 N\n0.111147 0.888853 0.888853 N\n0.641488 0.383436 0.890912 N\n0.358512 0.616564 0.890912 N\n0.000000 0.000000 0.000000 V\n0.250000 0.500000 0.000000 V\n0.750000 0.500000 0.000000 V\n0.500000 0.000000 0.250000 V\n0.000000 0.250000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.750000 0.500000 V\n0.500000 0.000000 0.750000 V\n","nsites":96,"nelements":3,"elements":["Li","N","V"],"chemical_system":"Li-N-V","density":2.380287641636147,"density_atomic":0.11058004888685878,"volume":868.1493720284342,"volume_molar":5.445955957355039,"formula_full":"Li56 V8 N32","formula_reduced":"Li7VN4","formula_anonymous":"AB4C7","formation_energy":-0.851548647718668,"spacegroup":218}]}