{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=22","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=20","results":[{"id":"mp-1009129","created_at":"2022-09-04T14:43:05.535841Z","structure_string":"Mg1 O1\n1.0\n1.469010 -2.544401 0.000000\n1.469010 2.544401 0.000000\n0.000000 0.000000 2.679680\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 O\n","nsites":2,"nelements":2,"elements":["Mg","O"],"chemical_system":"Mg-O","density":3.34101416919779,"density_atomic":0.09984050185595919,"volume":20.031950589405273,"volume_molar":6.031761307338177,"formula_full":"Mg1 O1","formula_reduced":"MgO","formula_anonymous":"AB","energy":-11.98005565,"energy_per_atom":-5.990027825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.29305565,"band_gap":3.0483,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.81e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:13.328000Z","spacegroup":187},{"id":"mp-27161","created_at":"2022-09-04T14:43:05.544741Z","structure_string":"Zn16 I32\n1.0\n-6.693251 6.693251 11.694128\n6.693251 -6.693251 11.694128\n6.693251 6.693251 -11.694128\nZn I\n16 32\ndirect\n0.157213 0.938262 0.969697 Zn\n0.312483 0.531434 0.969697 Zn\n0.561738 0.342787 0.030303 Zn\n0.092787 0.562483 0.281049 Zn\n0.281434 0.811738 0.718951 Zn\n0.688262 0.218566 0.281049 Zn\n0.937517 0.407213 0.718951 Zn\n0.968566 0.187517 0.030303 Zn\n0.592787 0.311738 0.530303 Zn\n0.437517 0.718566 0.530303 Zn\n0.188262 0.907213 0.469697 Zn\n0.657213 0.687517 0.218951 Zn\n0.468566 0.438262 0.781049 Zn\n0.061738 0.031434 0.218951 Zn\n0.812483 0.842787 0.781049 Zn\n0.781434 0.062483 0.469697 Zn\n0.479218 0.777089 0.758902 I\n0.527089 0.268187 0.797871 I\n0.470316 0.729218 0.202129 I\n0.770782 0.029684 0.797871 I\n0.231813 0.972911 0.202129 I\n0.779684 0.481813 0.758902 I\n0.722911 0.020782 0.241098 I\n0.018187 0.720316 0.241098 I\n0.270782 0.472911 0.741098 I\n0.222911 0.981813 0.702129 I\n0.279684 0.520782 0.297871 I\n0.979218 0.220316 0.702129 I\n0.518187 0.277089 0.297871 I\n0.970316 0.768187 0.741098 I\n0.027089 0.229218 0.258902 I\n0.731813 0.529684 0.258902 I\n0.625000 0.670447 0.545447 I\n0.420447 0.375000 0.545447 I\n0.829553 0.875000 0.454553 I\n0.125000 0.079553 0.454553 I\n0.125000 0.579553 0.954553 I\n0.329553 0.875000 0.954553 I\n0.920447 0.375000 0.045447 I\n0.625000 0.170447 0.045447 I\n0.882264 0.382264 0.500000 I\n0.132264 0.132264 0.000000 I\n0.367736 0.367736 0.000000 I\n0.117736 0.617736 0.500000 I\n0.867736 0.867736 0.000000 I\n0.617736 0.117736 0.500000 I\n0.382264 0.882264 0.500000 I\n0.632264 0.632264 0.000000 I\n","nsites":48,"nelements":2,"elements":["Zn","I"],"chemical_system":"I-Zn","density":4.047196708220733,"density_atomic":0.02290546853544944,"volume":2095.5694455982525,"volume_molar":26.291279528641333,"formula_full":"Zn16 I32","formula_reduced":"ZnI2","formula_anonymous":"AB2","energy":-110.78877755,"energy_per_atom":-2.3080995322916666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.66077755,"band_gap":2.9076000000000004,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0048509,"is_theoretical":false,"updated_at":"2021-11-28T01:35:55.029000Z","spacegroup":142},{"id":"mp-1186276","created_at":"2022-09-04T14:43:05.547750Z","structure_string":"Nd6 Ho2\n1.0\n3.658653 -6.336972 0.000000\n3.658653 6.336972 0.000000\n0.000000 0.000000 5.977780\nNd Ho\n6 2\ndirect\n0.167236 0.334473 0.250000 Nd\n0.665527 0.832764 0.250000 Nd\n0.167236 0.832764 0.250000 Nd\n0.832764 0.665527 0.750000 Nd\n0.334473 0.167236 0.750000 Nd\n0.832764 0.167236 0.750000 Nd\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n","nsites":8,"nelements":2,"elements":["Nd","Ho"],"chemical_system":"Ho-Nd","density":7.160736231290554,"density_atomic":0.028861377418357093,"volume":277.1870477294563,"volume_molar":20.865742728445305,"formula_full":"Nd6 Ho2","formula_reduced":"Nd3Ho","formula_anonymous":"AB3","energy":-37.54837447,"energy_per_atom":-4.69354680875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.54837447,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0281749,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.495000Z","spacegroup":194},{"id":"mp-1228840","created_at":"2022-09-04T14:43:05.547731Z","structure_string":"Al1 V1 Ni2\n1.0\n2.648148 0.000000 0.000000\n0.000000 2.648148 0.000000\n0.000000 0.000000 6.856061\nAl V Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.239103 Ni\n0.500000 0.500000 0.760897 Ni\n","nsites":4,"nelements":3,"elements":["Al","V","Ni"],"chemical_system":"Al-Ni-V","density":6.745498327559544,"density_atomic":0.08319568687400754,"volume":48.07941553577945,"volume_molar":7.238525200374867,"formula_full":"Al1 V1 Ni2","formula_reduced":"AlVNi2","formula_anonymous":"ABC2","energy":-25.91101902,"energy_per_atom":-6.477754755,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-25.91101902,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.035374,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.056000Z","spacegroup":123},{"id":"mp-1018823","created_at":"2022-09-04T14:43:05.987260Z","structure_string":"Ni2 P2 Rh2\n1.0\n3.512054 0.000000 0.000000\n0.000000 3.512054 0.000000\n0.000000 0.000000 5.903996\nNi P Rh\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.752650 P\n0.500000 0.000000 0.247350 P\n0.000000 0.500000 0.366915 Rh\n0.500000 0.000000 0.633085 Rh\n","nsites":6,"nelements":3,"elements":["Ni","P","Rh"],"chemical_system":"Ni-P-Rh","density":8.78224002956949,"density_atomic":0.08239157902555913,"volume":72.82297621870687,"volume_molar":7.309170222519755,"formula_full":"Ni2 P2 Rh2","formula_reduced":"NiPRh","formula_anonymous":"ABC","energy":-41.01015758,"energy_per_atom":-6.835026263333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.01015758,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.9e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:04.123000Z","spacegroup":129},{"id":"mp-1034374","created_at":"2022-09-04T14:43:05.548681Z","structure_string":"Rb1 Mg14 B1 O15\n1.0\n4.311538 0.000000 0.000000\n0.000000 8.142698 0.000000\n0.000000 0.000000 9.710699\nRb Mg B O\n1 14 1 15\ndirect\n0.000000 0.000000 0.050024 Rb\n0.000000 0.000000 0.518277 Mg\n0.000000 0.500000 0.493672 Mg\n0.500000 0.743796 0.974285 Mg\n0.500000 0.256204 0.974285 Mg\n0.500000 0.744734 0.529741 Mg\n0.500000 0.255266 0.529741 Mg\n0.500000 0.000000 0.746523 Mg\n0.500000 0.500000 0.753245 Mg\n0.500000 0.000000 0.298019 Mg\n0.500000 0.500000 0.205159 Mg\n0.000000 0.752048 0.747607 Mg\n0.000000 0.247952 0.747607 Mg\n0.000000 0.745737 0.288298 Mg\n0.000000 0.254263 0.288298 Mg\n0.000000 0.500000 0.915939 B\n0.000000 0.000000 0.726729 O\n0.000000 0.000000 0.310490 O\n0.000000 0.500000 0.280333 O\n0.500000 0.746099 0.744082 O\n0.500000 0.253901 0.744082 O\n0.500000 0.757699 0.234527 O\n0.500000 0.242301 0.234527 O\n0.500000 0.000000 0.946723 O\n0.500000 0.500000 0.980939 O\n0.500000 0.000000 0.512314 O\n0.500000 0.500000 0.527371 O\n0.000000 0.670024 0.960408 O\n0.000000 0.329976 0.960408 O\n0.000000 0.744582 0.513174 O\n0.000000 0.255418 0.513174 O\n","nsites":31,"nelements":4,"elements":["Rb","Mg","B","O"],"chemical_system":"B-Mg-O-Rb","density":3.2952730733243425,"density_atomic":0.09093072531855491,"volume":340.9188686376208,"volume_molar":6.622778757018392,"formula_full":"Rb1 Mg14 B1 O15","formula_reduced":"RbMg14BO15","formula_anonymous":"ABC14D15","energy":-185.61607188,"energy_per_atom":-5.987615221935483,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.31107188,"band_gap":5.108499999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0058667,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.779000Z","spacegroup":25},{"id":"mp-1111781","created_at":"2022-09-04T14:43:05.550649Z","structure_string":"Cs1 Rb2 Ga1 Br6\n1.0\n0.000000 5.941237 5.941237\n5.941237 0.000000 5.941237\n5.941237 5.941237 0.000000\nCs Rb Ga Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.783853 0.216147 0.216147 Br\n0.216147 0.216147 0.783853 Br\n0.216147 0.783853 0.783853 Br\n0.216147 0.783853 0.216147 Br\n0.783853 0.216147 0.783853 Br\n0.783853 0.783853 0.216147 Br\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Ga","Br"],"chemical_system":"Br-Cs-Ga-Rb","density":3.3770027836316725,"density_atomic":0.023841818266586802,"volume":419.4310974182088,"volume_molar":25.258731077737263,"formula_full":"Cs1 Rb2 Ga1 Br6","formula_reduced":"CsRb2GaBr6","formula_anonymous":"ABC2D6","energy":-32.03706504,"energy_per_atom":-3.2037065040000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.83306504,"band_gap":2.3778,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012497,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.871000Z","spacegroup":225},{"id":"mp-1221814","created_at":"2022-09-04T14:43:05.553769Z","structure_string":"Mn1 Fe5 O8\n1.0\n5.320712 -3.030679 0.000000\n5.320712 3.030679 0.000000\n3.594436 0.000000 4.957320\nMn Fe O\n1 5 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.123672 0.123672 0.123672 Fe\n0.876328 0.876328 0.876328 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.745155 0.745155 0.745155 O\n0.752242 0.265967 0.752242 O\n0.265967 0.752242 0.752242 O\n0.752242 0.752242 0.265967 O\n0.254845 0.254845 0.254845 O\n0.247758 0.734033 0.247758 O\n0.734033 0.247758 0.247758 O\n0.247758 0.247758 0.734033 O\n","nsites":14,"nelements":3,"elements":["Mn","Fe","O"],"chemical_system":"Fe-Mn-O","density":4.80013179173144,"density_atomic":0.0875671861201705,"volume":159.8772396407425,"volume_molar":6.877166010262879,"formula_full":"Mn1 Fe5 O8","formula_reduced":"MnFe5O8","formula_anonymous":"AB5C8","energy":-113.72169593,"energy_per_atom":-8.122978280714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.27769593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.0002734,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.743000Z","spacegroup":166},{"id":"mp-1518030","created_at":"2022-09-04T14:43:05.554870Z","structure_string":"Ba4 Sr4 Pr4 W4 O24\n1.0\n8.606620 0.000000 0.000000\n0.000000 8.588778 0.000000\n0.000000 0.000000 8.616808\nBa Sr Pr W O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.747588 0.749596 0.749642 Pr\n0.252412 0.250404 0.749642 Pr\n0.252412 0.749596 0.250358 Pr\n0.747588 0.250404 0.250358 Pr\n0.252923 0.250398 0.249716 W\n0.747077 0.749602 0.249716 W\n0.747077 0.250398 0.750284 W\n0.252923 0.749602 0.750284 W\n0.021684 0.221104 0.278718 O\n0.978316 0.778896 0.278718 O\n0.978316 0.221104 0.721282 O\n0.021684 0.778896 0.721282 O\n0.289590 0.021248 0.213480 O\n0.289590 0.978752 0.786520 O\n0.710410 0.978752 0.213480 O\n0.710410 0.021248 0.786520 O\n0.222154 0.280635 0.018680 O\n0.777846 0.280635 0.981320 O\n0.222154 0.719365 0.981320 O\n0.777846 0.719365 0.018680 O\n0.480185 0.291116 0.211741 O\n0.519815 0.708884 0.211741 O\n0.519815 0.291116 0.788259 O\n0.480185 0.708884 0.788259 O\n0.213002 0.478229 0.290644 O\n0.213002 0.521771 0.709356 O\n0.786998 0.521771 0.290644 O\n0.786998 0.478229 0.709356 O\n0.291197 0.210764 0.479990 O\n0.708803 0.210764 0.520010 O\n0.291197 0.789236 0.520010 O\n0.708803 0.789236 0.479990 O\n","nsites":40,"nelements":5,"elements":["Ba","Sr","Pr","W","O"],"chemical_system":"Ba-O-Pr-Sr-W","density":6.733229748983118,"density_atomic":0.06279854325347778,"volume":636.957450406858,"volume_molar":9.589618561202045,"formula_full":"Ba4 Sr4 Pr4 W4 O24","formula_reduced":"BaSrPrWO6","formula_anonymous":"ABCDE6","energy":-325.39530990000003,"energy_per_atom":-8.1348827475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-291.1553099,"band_gap":1.9162000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9999999,"is_theoretical":true,"updated_at":"2021-11-28T01:35:53.723000Z","spacegroup":16},{"id":"mp-1223545","created_at":"2022-09-04T14:43:05.563433Z","structure_string":"K2 Mn4 O8\n1.0\n-0.008236 -2.951860 -0.000509\n-6.402701 -1.493586 0.423511\n-0.191516 -0.001050 -10.640059\nK Mn O\n2 4 8\ndirect\n0.992696 0.992517 0.476503 K\n0.980729 0.031281 0.920460 K\n0.725259 0.525728 0.619765 Mn\n0.254638 0.469165 0.375775 Mn\n0.222934 0.535020 0.871663 Mn\n0.754052 0.472996 0.123226 Mn\n0.796512 0.389730 0.776473 O\n0.184884 0.606711 0.221893 O\n0.665285 0.642805 0.451634 O\n0.314503 0.350781 0.545983 O\n0.646759 0.685942 0.954701 O\n0.327870 0.330000 0.033274 O\n0.136185 0.699066 0.677849 O\n0.841343 0.301160 0.317301 O\n","nsites":14,"nelements":3,"elements":["K","Mn","O"],"chemical_system":"K-Mn-O","density":3.5153124387142505,"density_atomic":0.06958095489478368,"volume":201.2044821915709,"volume_molar":8.654869380718237,"formula_full":"K2 Mn4 O8","formula_reduced":"KMn2O4","formula_anonymous":"AB2C4","energy":-105.74860017,"energy_per_atom":-7.553471440714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-93.58060017,"band_gap":0.8501999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9991694,"is_theoretical":true,"updated_at":"2021-11-28T01:35:57.013000Z","spacegroup":8},{"id":"mp-1099306","created_at":"2022-09-04T14:43:05.575129Z","structure_string":"Cs1 Mg6 Co1\n1.0\n4.513172 -6.622714 0.000000\n4.513172 6.622714 0.000000\n0.000000 0.000000 3.906970\nCs Mg Co\n1 6 1\ndirect\n0.171920 0.828080 0.000000 Cs\n0.685131 0.833886 0.000000 Mg\n0.166114 0.314869 0.000000 Mg\n0.768218 0.550712 0.500000 Mg\n0.449288 0.231782 0.500000 Mg\n0.819418 0.180582 0.500000 Mg\n0.408531 0.591469 0.500000 Mg\n0.531384 0.468616 0.000000 Co\n","nsites":8,"nelements":3,"elements":["Cs","Mg","Co"],"chemical_system":"Co-Cs-Mg","density":2.400777306328177,"density_atomic":0.03425326931558415,"volume":233.5543485293024,"volume_molar":17.581214524419476,"formula_full":"Cs1 Mg6 Co1","formula_reduced":"CsMg6Co","formula_anonymous":"ABC6","energy":-15.10021901,"energy_per_atom":-1.88752737625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-15.10021901,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7059741,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.993000Z","spacegroup":38},{"id":"mp-1304218","created_at":"2022-09-04T14:43:04.709111Z","structure_string":"Li6 Mg2 Ni6 O16\n1.0\n-4.256436 -2.430258 0.050511\n4.274966 -4.177160 4.804072\n-1.555005 5.810468 4.887539\nLi Mg Ni O\n6 2 6 16\ndirect\n0.995444 0.883569 0.619189 Li\n0.995434 0.383555 0.119192 Li\n0.502037 0.505797 0.998784 Li\n0.502015 0.005803 0.498780 Li\n0.502394 0.737554 0.768602 Li\n0.502302 0.237548 0.268576 Li\n0.498850 0.126107 0.874983 Mg\n0.498817 0.626103 0.374988 Mg\n0.998284 0.753673 0.248743 Ni\n0.998298 0.253696 0.748754 Ni\n0.499710 0.877024 0.129309 Ni\n0.499756 0.377025 0.629314 Ni\n0.997770 0.002184 0.003106 Ni\n0.997781 0.502199 0.503102 Ni\n0.207929 0.244030 0.979299 O\n0.207793 0.744006 0.479257 O\n0.773531 0.520453 0.247312 O\n0.773624 0.020419 0.747353 O\n0.257974 0.154065 0.642488 O\n0.257856 0.654048 0.142449 O\n0.741655 0.863995 0.347801 O\n0.741655 0.364005 0.847815 O\n0.759245 0.771804 0.026859 O\n0.759223 0.271815 0.526850 O\n0.253710 0.478027 0.742845 O\n0.253671 0.977977 0.242706 O\n0.262796 0.389666 0.407671 O\n0.262821 0.889674 0.907677 O\n0.734303 0.102458 0.111616 O\n0.734242 0.602574 0.611616 O\n","nsites":30,"nelements":4,"elements":["Li","Mg","Ni","O"],"chemical_system":"Li-Mg-Ni-O","density":4.208441805300752,"density_atomic":0.10886418462942198,"volume":275.5727248784455,"volume_molar":5.5317924627825095,"formula_full":"Li6 Mg2 Ni6 O16","formula_reduced":"Li3MgNi3O8","formula_anonymous":"AB3C3D8","energy":-174.89876664,"energy_per_atom":-5.829958887999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.66076664,"band_gap":0.4996999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0042755,"is_theoretical":true,"updated_at":"2021-11-28T01:36:13.999000Z","spacegroup":1}]}