{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=chemical_system&page=10209","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=chemical_system&page=10207","results":[{"id":"mp-1031776","created_at":"2022-09-04T14:41:52.023559Z","structure_string":"Mg6 V1 Ni1 O8\n1.0\n8.518049 0.000000 0.000000\n0.000000 4.284150 0.000000\n0.000000 0.000000 4.284150\nMg V Ni O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247648 0.000000 0.500000 Mg\n0.752352 0.000000 0.500000 Mg\n0.247648 0.500000 0.000000 Mg\n0.752352 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 Ni\n0.244412 0.000000 0.000000 O\n0.755588 0.000000 0.000000 O\n0.249781 0.500000 0.500000 O\n0.750219 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","V","Ni","O"],"chemical_system":"Mg-Ni-O-V","density":4.07286305830922,"density_atomic":0.10234120167107177,"volume":156.33977067637494,"volume_molar":5.884375658745315,"formula_full":"Mg6 V1 Ni1 O8","formula_reduced":"Mg6VNiO8","formula_anonymous":"ABC6D8","energy":-106.89748891,"energy_per_atom":-6.681093056875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.16048891,"band_gap":3.0768000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.9999978,"is_theoretical":true,"updated_at":"2021-11-28T01:35:31.324000Z","spacegroup":123},{"id":"mp-1234565","created_at":"2022-09-04T14:42:59.970462Z","structure_string":"Mg1 V4 Ni2 O12\n1.0\n7.186171 -0.441411 0.097731\n-1.176316 7.083048 -0.080460\n-1.485410 1.349800 5.203646\nMg V Ni O\n1 4 2 12\ndirect\n0.590382 0.589350 0.238199 Mg\n0.183213 0.634761 0.716757 V\n0.375012 0.873503 0.171974 V\n0.634984 0.185791 0.785429 V\n0.875544 0.374674 0.331425 V\n0.081747 0.081683 0.750231 Ni\n0.922267 0.921744 0.250290 Ni\n0.033501 0.807666 0.643980 O\n0.054908 0.399691 0.686449 O\n0.175201 0.993168 0.129023 O\n0.338159 0.702236 0.511131 O\n0.401037 0.055264 0.814586 O\n0.323002 0.632098 0.040545 O\n0.699268 0.339555 0.993138 O\n0.631083 0.870074 0.275873 O\n0.634208 0.326322 0.461495 O\n0.807767 0.035836 0.857604 O\n0.875022 0.631921 0.221449 O\n0.993695 0.174664 0.370424 O\n","nsites":19,"nelements":4,"elements":["Mg","V","Ni","O"],"chemical_system":"Mg-Ni-O-V","density":3.3835413726100128,"density_atomic":0.07203398525994216,"volume":263.7643874823323,"volume_molar":8.360138257335722,"formula_full":"Mg1 V4 Ni2 O12","formula_reduced":"MgV4(NiO6)2","formula_anonymous":"AB2C4D12","energy":-146.6169544,"energy_per_atom":-7.716681810526316,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-126.49095440000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.7170426,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.174000Z","spacegroup":1},{"id":"mp-1372490","created_at":"2022-09-04T14:47:55.858343Z","structure_string":"Mg4 Ni2 W2 O12\n1.0\n5.220444 0.000000 0.000000\n0.000000 5.011549 0.000000\n0.000000 4.876654 8.300615\nMg Ni W O\n4 2 2 12\ndirect\n0.054934 0.294470 0.734586 Mg\n0.554934 0.705530 0.765414 Mg\n0.945066 0.705530 0.265414 Mg\n0.445066 0.294470 0.234586 Mg\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.293359 0.707297 0.602370 O\n0.793359 0.292703 0.897630 O\n0.706641 0.292703 0.397630 O\n0.206641 0.707297 0.102370 O\n0.198723 0.365093 0.443063 O\n0.698723 0.634907 0.056937 O\n0.801277 0.634907 0.556937 O\n0.301277 0.365093 0.943063 O\n0.404270 0.051297 0.793055 O\n0.904270 0.948703 0.706945 O\n0.095730 0.051297 0.293055 O\n0.595730 0.948703 0.206945 O\n","nsites":20,"nelements":4,"elements":["Mg","Ni","W","O"],"chemical_system":"Mg-Ni-O-W","density":5.920484128988864,"density_atomic":0.0920959012853708,"volume":217.16493047858307,"volume_molar":6.538988897388207,"formula_full":"Mg4 Ni2 W2 O12","formula_reduced":"Mg2NiWO6","formula_anonymous":"ABC2D6","energy":-149.50648862999998,"energy_per_atom":-7.475324431499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.30448863,"band_gap":2.5452000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9998427,"is_theoretical":true,"updated_at":"2021-11-28T01:38:22.319000Z","spacegroup":14},{"id":"mp-1032754","created_at":"2022-09-04T14:47:56.047270Z","structure_string":"Y1 Mg6 Ni1 O8\n1.0\n8.840129 0.000000 0.000000\n0.000000 4.409104 0.000000\n0.000000 0.000000 4.409104\nY Mg Ni O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.273837 0.000000 0.500000 Mg\n0.726163 0.000000 0.500000 Mg\n0.273837 0.500000 0.000000 Mg\n0.726163 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Ni\n0.250834 0.000000 0.000000 O\n0.749166 0.000000 0.000000 O\n0.248738 0.500000 0.500000 O\n0.751262 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["Y","Mg","Ni","O"],"chemical_system":"Mg-Ni-O-Y","density":4.072016581871031,"density_atomic":0.09310236097238603,"volume":171.8538588376461,"volume_molar":6.468300800434218,"formula_full":"Y1 Mg6 Ni1 O8","formula_reduced":"YMg6NiO8","formula_anonymous":"ABC6D8","energy":-105.13711062,"energy_per_atom":-6.57106941375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.10011062,"band_gap":0.8224999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.115118,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.821000Z","spacegroup":123},{"id":"mp-1032757","created_at":"2022-09-04T14:41:27.491526Z","structure_string":"Y1 Mg6 Ni1 O8\n1.0\n8.961064 -0.000000 0.000000\n0.000000 4.344737 0.000000\n0.000000 0.000000 4.344737\nY Mg Ni O\n1 6 1 8\ndirect\n0.000000 0.000000 -0.000000 Y\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.263289 0.000000 0.500000 Mg\n0.736711 -0.000000 0.500000 Mg\n0.263289 0.500000 0.000000 Mg\n0.736711 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Ni\n0.259679 -0.000000 -0.000000 O\n0.740321 0.000000 0.000000 O\n0.272335 0.500000 0.500000 O\n0.727665 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Y","Mg","Ni","O"],"chemical_system":"Mg-Ni-O-Y","density":4.136968958712226,"density_atomic":0.09458742850909649,"volume":169.15567165948778,"volume_molar":6.366745406786113,"formula_full":"Y1 Mg6 Ni1 O8","formula_reduced":"YMg6NiO8","formula_anonymous":"ABC6D8","energy":-106.00750865,"energy_per_atom":-6.625469290625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.97050865,"band_gap":2.0772000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":0.9999983,"is_theoretical":true,"updated_at":"2021-11-28T01:35:22.520000Z","spacegroup":123},{"id":"mp-1037774","created_at":"2022-09-04T14:39:46.468782Z","structure_string":"Y1 Mg30 Ni1 O32\n1.0\n8.602153 0.000000 0.000000\n0.000000 8.602153 0.000000\n0.000000 0.000000 8.549956\nY Mg Ni O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.259909 0.259909 0.000000 Mg\n0.740091 0.259909 0.000000 Mg\n0.259909 0.740091 0.000000 Mg\n0.740091 0.740091 0.000000 Mg\n0.251820 0.251820 0.500000 Mg\n0.748180 0.251820 0.500000 Mg\n0.251820 0.748180 0.500000 Mg\n0.748180 0.748180 0.500000 Mg\n0.257573 0.000000 0.255532 Mg\n0.742427 0.000000 0.255532 Mg\n0.253054 0.500000 0.248024 Mg\n0.746946 0.500000 0.248024 Mg\n0.257573 0.000000 0.744468 Mg\n0.742427 0.000000 0.744468 Mg\n0.253054 0.500000 0.751976 Mg\n0.746946 0.500000 0.751976 Mg\n0.000000 0.257573 0.255532 Mg\n0.500000 0.253054 0.248024 Mg\n0.000000 0.742427 0.255532 Mg\n0.500000 0.746946 0.248024 Mg\n0.000000 0.257573 0.744468 Mg\n0.500000 0.253054 0.751976 Mg\n0.000000 0.742427 0.744468 Mg\n0.500000 0.746946 0.751976 Mg\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.259709 O\n0.500000 0.000000 0.253875 O\n0.000000 0.500000 0.253875 O\n0.500000 0.500000 0.257888 O\n0.000000 0.000000 0.740291 O\n0.500000 0.000000 0.746125 O\n0.000000 0.500000 0.746125 O\n0.500000 0.500000 0.742112 O\n0.249620 0.249620 0.249682 O\n0.750380 0.249620 0.249682 O\n0.249620 0.750380 0.249682 O\n0.750380 0.750380 0.249682 O\n0.249620 0.249620 0.750318 O\n0.750380 0.249620 0.750318 O\n0.249620 0.750380 0.750318 O\n0.750380 0.750380 0.750318 O\n0.257749 0.000000 0.000000 O\n0.742251 0.000000 0.000000 O\n0.235677 0.500000 0.000000 O\n0.764323 0.500000 0.000000 O\n0.250454 0.000000 0.500000 O\n0.749546 0.000000 0.500000 O\n0.248928 0.500000 0.500000 O\n0.751072 0.500000 0.500000 O\n0.000000 0.257749 0.000000 O\n0.500000 0.235677 0.000000 O\n0.000000 0.742251 0.000000 O\n0.500000 0.764323 0.000000 O\n0.000000 0.250454 0.500000 O\n0.500000 0.248928 0.500000 O\n0.000000 0.749546 0.500000 O\n0.500000 0.751072 0.500000 O\n","nsites":64,"nelements":4,"elements":["Y","Mg","Ni","O"],"chemical_system":"Mg-Ni-O-Y","density":3.6449260810807504,"density_atomic":0.10115835740499282,"volume":632.6714039431524,"volume_molar":5.953181639644505,"formula_full":"Y1 Mg30 Ni1 O32","formula_reduced":"YMg30NiO32","formula_anonymous":"ABC30D32","energy":-409.33815735,"energy_per_atom":-6.39590870859375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-384.81315735,"band_gap":1.1713000000000005,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9988163,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.208000Z","spacegroup":123},{"id":"mp-1036222","created_at":"2022-09-04T14:40:08.355644Z","structure_string":"Y1 Mg14 Ni1 O16\n1.0\n4.320691 0.000000 0.000000\n0.000000 8.639643 0.000000\n0.000000 0.000000 8.720431\nY Mg Ni O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.731110 0.000000 Mg\n0.500000 0.268890 0.000000 Mg\n0.500000 0.745402 0.500000 Mg\n0.500000 0.254598 0.500000 Mg\n0.500000 0.000000 0.736894 Mg\n0.500000 0.500000 0.751499 Mg\n0.500000 0.000000 0.263106 Mg\n0.500000 0.500000 0.248501 Mg\n0.000000 0.737472 0.745338 Mg\n0.000000 0.262528 0.745338 Mg\n0.000000 0.737472 0.254662 Mg\n0.000000 0.262528 0.254662 Mg\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.740576 O\n0.000000 0.500000 0.727869 O\n0.000000 0.000000 0.259424 O\n0.000000 0.500000 0.272131 O\n0.500000 0.751239 0.751019 O\n0.500000 0.248761 0.751019 O\n0.500000 0.751239 0.248981 O\n0.500000 0.248761 0.248981 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.746024 0.000000 O\n0.000000 0.253976 0.000000 O\n0.000000 0.753523 0.500000 O\n0.000000 0.246477 0.500000 O\n","nsites":32,"nelements":4,"elements":["Y","Mg","Ni","O"],"chemical_system":"Mg-Ni-O-Y","density":3.7944876461885952,"density_atomic":0.09830215138170474,"volume":325.526954906051,"volume_molar":6.126153573807537,"formula_full":"Y1 Mg14 Ni1 O16","formula_reduced":"YMg14NiO16","formula_anonymous":"ABC14D16","energy":-206.66779776,"energy_per_atom":-6.45836868,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.13479776,"band_gap":0.6124999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0001462,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.384000Z","spacegroup":47},{"id":"mp-1037756","created_at":"2022-09-04T14:47:26.176701Z","structure_string":"Y1 Mg30 Ni1 O32\n1.0\n8.594948 0.000000 0.000000\n0.000000 8.594948 0.000000\n0.000000 0.000000 8.559481\nY Mg Ni O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.254314 0.259931 Mg\n0.000000 0.254314 0.740069 Mg\n0.000000 0.745686 0.259931 Mg\n0.000000 0.745686 0.740069 Mg\n0.500000 0.250241 0.252062 Mg\n0.500000 0.250241 0.747938 Mg\n0.500000 0.749759 0.252062 Mg\n0.500000 0.749759 0.747938 Mg\n0.254314 0.000000 0.259931 Mg\n0.254314 0.000000 0.740069 Mg\n0.250241 0.500000 0.252062 Mg\n0.250241 0.500000 0.747938 Mg\n0.745686 0.000000 0.259931 Mg\n0.745686 0.000000 0.740069 Mg\n0.749759 0.500000 0.252062 Mg\n0.749759 0.500000 0.747938 Mg\n0.255930 0.255930 0.000000 Mg\n0.248093 0.248093 0.500000 Mg\n0.255930 0.744070 0.000000 Mg\n0.248093 0.751907 0.500000 Mg\n0.744070 0.255930 0.000000 Mg\n0.751907 0.248093 0.500000 Mg\n0.744070 0.744070 0.000000 Mg\n0.751907 0.751907 0.500000 Mg\n0.000000 0.000000 0.500000 Ni\n0.259259 0.000000 0.000000 O\n0.266977 0.000000 0.500000 O\n0.251837 0.500000 0.000000 O\n0.252570 0.500000 0.500000 O\n0.740741 0.000000 0.000000 O\n0.733023 0.000000 0.500000 O\n0.748163 0.500000 0.000000 O\n0.747430 0.500000 0.500000 O\n0.249257 0.249257 0.249173 O\n0.249257 0.249257 0.750827 O\n0.249257 0.750743 0.249173 O\n0.249257 0.750743 0.750827 O\n0.750743 0.249257 0.249173 O\n0.750743 0.249257 0.750827 O\n0.750743 0.750743 0.249173 O\n0.750743 0.750743 0.750827 O\n0.000000 0.000000 0.255540 O\n0.000000 0.000000 0.744460 O\n0.000000 0.500000 0.248172 O\n0.000000 0.500000 0.751828 O\n0.500000 0.000000 0.248172 O\n0.500000 0.000000 0.751828 O\n0.500000 0.500000 0.249015 O\n0.500000 0.500000 0.750985 O\n0.000000 0.259259 0.000000 O\n0.000000 0.266977 0.500000 O\n0.000000 0.740741 0.000000 O\n0.000000 0.733023 0.500000 O\n0.500000 0.251837 0.000000 O\n0.500000 0.252570 0.500000 O\n0.500000 0.748163 0.000000 O\n0.500000 0.747430 0.500000 O\n","nsites":64,"nelements":4,"elements":["Y","Mg","Ni","O"],"chemical_system":"Mg-Ni-O-Y","density":3.646976721660456,"density_atomic":0.10121526924025548,"volume":632.3156622552937,"volume_molar":5.94983425445937,"formula_full":"Y1 Mg30 Ni1 O32","formula_reduced":"YMg30NiO32","formula_anonymous":"ABC30D32","energy":-409.16531219,"energy_per_atom":-6.39320800296875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-384.64031219,"band_gap":7.1718,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.0000058,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.477000Z","spacegroup":123},{"id":"mp-1036049","created_at":"2022-09-04T14:40:09.928849Z","structure_string":"Y1 Mg14 Ni1 O16\n1.0\n8.690841 0.000000 0.000000\n0.000000 8.690841 0.000000\n0.000000 0.000000 4.312470\nY Mg Ni O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.265348 0.000000 0.500000 Mg\n0.734652 0.000000 0.500000 Mg\n0.256801 0.500000 0.500000 Mg\n0.743199 0.500000 0.500000 Mg\n0.000000 0.265348 0.500000 Mg\n0.500000 0.256801 0.500000 Mg\n0.000000 0.734652 0.500000 Mg\n0.500000 0.743199 0.500000 Mg\n0.262199 0.262199 0.000000 Mg\n0.737801 0.262199 0.000000 Mg\n0.262199 0.737801 0.000000 Mg\n0.737801 0.737801 0.000000 Mg\n0.500000 0.500000 0.000000 Ni\n0.000000 0.257592 0.000000 O\n0.500000 0.235451 0.000000 O\n0.000000 0.742408 0.000000 O\n0.500000 0.764549 0.000000 O\n0.249474 0.249474 0.500000 O\n0.750526 0.249474 0.500000 O\n0.249474 0.750526 0.500000 O\n0.750526 0.750526 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.257592 0.000000 0.000000 O\n0.742408 0.000000 0.000000 O\n0.235451 0.500000 0.000000 O\n0.764549 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["Y","Mg","Ni","O"],"chemical_system":"Mg-Ni-O-Y","density":3.792192744400392,"density_atomic":0.09824269835298907,"volume":325.72395237988076,"volume_molar":6.129860906672434,"formula_full":"Y1 Mg14 Ni1 O16","formula_reduced":"YMg14NiO16","formula_anonymous":"ABC14D16","energy":-206.76023944,"energy_per_atom":-6.4612574825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.22723944,"band_gap":0.8548,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.001081,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.491000Z","spacegroup":123},{"id":"mp-1032644","created_at":"2022-09-04T14:39:26.607745Z","structure_string":"Mg6 Zn1 Ni1 O8\n1.0\n8.517571 0.000000 0.000000\n0.000000 4.263330 0.000000\n0.000000 0.000000 4.263330\nMg Zn Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.248339 -0.000000 0.500000 Mg\n0.751661 0.000000 0.500000 Mg\n0.248339 0.500000 -0.000000 Mg\n0.751661 0.500000 0.000000 Mg\n-0.000000 0.000000 -0.000000 Zn\n-0.000000 0.500000 0.500000 Ni\n0.252827 -0.000000 0.000000 O\n0.747173 0.000000 -0.000000 O\n0.249936 0.500000 0.500000 O\n0.750064 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n","nsites":16,"nelements":4,"elements":["Mg","Zn","Ni","O"],"chemical_system":"Mg-Ni-O-Zn","density":4.2681482639193735,"density_atomic":0.10334900977466108,"volume":154.81522304747665,"volume_molar":5.826994156141879,"formula_full":"Mg6 Zn1 Ni1 O8","formula_reduced":"Mg6ZnNiO8","formula_anonymous":"ABC6D8","energy":-98.37662049,"energy_per_atom":-6.148538780625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-90.33962049,"band_gap":2.9705000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.9999987,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.700000Z","spacegroup":123},{"id":"mp-1037547","created_at":"2022-09-04T14:40:23.028123Z","structure_string":"Mg30 Zn1 Ni1 O32\n1.0\n8.514741 0.000000 0.000000\n0.000000 8.514741 0.000000\n0.000000 0.000000 8.514790\nMg Zn Ni O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250443 0.250443 0.000000 Mg\n0.250443 0.749557 0.000000 Mg\n0.749557 0.250443 0.000000 Mg\n0.749557 0.749557 0.000000 Mg\n0.250037 0.250037 0.500000 Mg\n0.250037 0.749963 0.500000 Mg\n0.749963 0.250037 0.500000 Mg\n0.749963 0.749963 0.500000 Mg\n0.000000 0.249999 0.249795 Mg\n0.000000 0.750001 0.249795 Mg\n0.500000 0.250467 0.249411 Mg\n0.500000 0.749533 0.249411 Mg\n0.000000 0.249999 0.750205 Mg\n0.000000 0.750001 0.750205 Mg\n0.500000 0.250467 0.750589 Mg\n0.500000 0.749533 0.750589 Mg\n0.249999 0.000000 0.249795 Mg\n0.250467 0.500000 0.249411 Mg\n0.750001 0.000000 0.249795 Mg\n0.749533 0.500000 0.249411 Mg\n0.249999 0.000000 0.750205 Mg\n0.250467 0.500000 0.750589 Mg\n0.750001 0.000000 0.750205 Mg\n0.749533 0.500000 0.750589 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.253245 O\n0.000000 0.500000 0.249909 O\n0.500000 0.000000 0.249909 O\n0.500000 0.500000 0.250955 O\n0.000000 0.000000 0.746755 O\n0.000000 0.500000 0.750091 O\n0.500000 0.000000 0.750091 O\n0.500000 0.500000 0.749045 O\n0.250009 0.250009 0.249615 O\n0.250009 0.749991 0.249615 O\n0.749991 0.250009 0.249615 O\n0.749991 0.749991 0.249615 O\n0.250009 0.250009 0.750385 O\n0.250009 0.749991 0.750385 O\n0.749991 0.250009 0.750385 O\n0.749991 0.749991 0.750385 O\n0.000000 0.253413 0.000000 O\n0.000000 0.746587 0.000000 O\n0.500000 0.249206 0.000000 O\n0.500000 0.750794 0.000000 O\n0.000000 0.250106 0.500000 O\n0.000000 0.749894 0.500000 O\n0.500000 0.250246 0.500000 O\n0.500000 0.749754 0.500000 O\n0.253413 0.000000 0.000000 O\n0.249206 0.500000 0.000000 O\n0.746587 0.000000 0.000000 O\n0.750794 0.500000 0.000000 O\n0.250106 0.000000 0.500000 O\n0.250246 0.500000 0.500000 O\n0.749894 0.000000 0.500000 O\n0.749754 0.500000 0.500000 O\n","nsites":64,"nelements":4,"elements":["Mg","Zn","Ni","O"],"chemical_system":"Mg-Ni-O-Zn","density":3.6723081172130456,"density_atomic":0.10367239895936932,"volume":617.3292085686423,"volume_molar":5.808817795718379,"formula_full":"Mg30 Zn1 Ni1 O32","formula_reduced":"Mg30ZnNiO32","formula_anonymous":"ABC30D32","energy":-402.41926698,"energy_per_atom":-6.2878010465625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-377.89426698,"band_gap":4.0442,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.0061929,"is_theoretical":true,"updated_at":"2021-11-28T01:34:48.386000Z","spacegroup":123},{"id":"mp-1035175","created_at":"2022-09-04T14:46:09.895944Z","structure_string":"Mg14 Zn1 Ni1 O16\n1.0\n8.518339 0.000000 0.000000\n0.000000 8.523923 0.000000\n0.000000 0.000000 4.261242\nMg Zn Ni O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.251012 0.500000 Mg\n0.000000 0.748988 0.500000 Mg\n0.500000 0.250107 0.500000 Mg\n0.500000 0.749893 0.500000 Mg\n0.249644 0.000000 0.500000 Mg\n0.248745 0.500000 0.500000 Mg\n0.750356 0.000000 0.500000 Mg\n0.751255 0.500000 0.500000 Mg\n0.249172 0.250506 0.000000 Mg\n0.249172 0.749494 0.000000 Mg\n0.750828 0.250506 0.000000 Mg\n0.750828 0.749494 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Ni\n0.253109 0.000000 0.000000 O\n0.250877 0.500000 0.000000 O\n0.746891 0.000000 0.000000 O\n0.749123 0.500000 0.000000 O\n0.249238 0.250010 0.500000 O\n0.249238 0.749990 0.500000 O\n0.750762 0.250010 0.500000 O\n0.750762 0.749990 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.252652 0.000000 O\n0.000000 0.747348 0.000000 O\n0.500000 0.250335 0.000000 O\n0.500000 0.749665 0.000000 O\n","nsites":32,"nelements":4,"elements":["Mg","Zn","Ni","O"],"chemical_system":"Mg-Ni-O-Zn","density":3.86607022662394,"density_atomic":0.10342352648224584,"volume":309.4073571886303,"volume_molar":5.822795803654779,"formula_full":"Mg14 Zn1 Ni1 O16","formula_reduced":"Mg14ZnNiO16","formula_anonymous":"ABC14D16","energy":-199.68939192,"energy_per_atom":-6.2402934975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-186.15639192,"band_gap":4.7286,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.999999,"is_theoretical":true,"updated_at":"2021-11-28T01:37:20.288000Z","spacegroup":47}]}