{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10126","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-elements&page=10124","results":[{"id":"mp-1214391","created_at":"2022-09-04T14:47:14.840365Z","structure_string":"Ba4 Np4 O16\n1.0\n5.847820 0.000000 0.000000\n0.000000 8.190707 0.000000\n0.000000 0.000000 8.258526\nBa Np O\n4 4 16\ndirect\n0.477316 0.197330 0.250000 Ba\n0.522684 0.802670 0.750000 Ba\n0.522684 0.697330 0.250000 Ba\n0.477316 0.302670 0.750000 Ba\n0.000000 0.000000 0.000000 Np\n0.000000 0.000000 0.500000 Np\n0.000000 0.500000 0.500000 Np\n0.000000 0.500000 0.000000 Np\n0.117016 0.524549 0.250000 O\n0.882984 0.475451 0.750000 O\n0.882984 0.024549 0.250000 O\n0.117016 0.975451 0.750000 O\n0.706875 0.425325 0.069076 O\n0.293125 0.574675 0.930924 O\n0.293125 0.574675 0.569076 O\n0.293125 0.925325 0.430924 O\n0.706875 0.425325 0.430924 O\n0.706875 0.074675 0.569076 O\n0.706875 0.074675 0.930924 O\n0.293125 0.925325 0.069076 O\n0.143491 0.250000 0.000000 O\n0.856509 0.750000 0.000000 O\n0.856509 0.750000 0.500000 O\n0.143491 0.250000 0.500000 O\n","nsites":24,"nelements":3,"elements":["Ba","Np","O"],"chemical_system":"Ba-Np-O","density":7.360155785960983,"density_atomic":0.06067269896405932,"volume":395.56506319616466,"volume_molar":9.925618709606663,"formula_full":"Ba4 Np4 O16","formula_reduced":"BaNpO4","formula_anonymous":"ABC4","energy":-221.80024625,"energy_per_atom":-9.241676927083333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.80824625,"band_gap":0.5107999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9993696,"is_theoretical":true,"updated_at":"2021-11-28T01:38:04.746000Z","spacegroup":57},{"id":"mp-8558","created_at":"2022-09-04T14:47:12.809490Z","structure_string":"Ba1 Np1 O3\n1.0\n4.429278 0.000000 0.000000\n0.000000 4.429278 0.000000\n0.000000 0.000000 4.429278\nBa Np O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Np","O"],"chemical_system":"Ba-Np-O","density":8.070441169844194,"density_atomic":0.0575401760739075,"volume":86.895806394088,"volume_molar":10.465975551178119,"formula_full":"Ba1 Np1 O3","formula_reduced":"BaNpO3","formula_anonymous":"ABC3","energy":-46.59508227,"energy_per_atom":-9.319016454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.53408227,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.0,"is_theoretical":false,"updated_at":"2021-11-28T01:37:54.643000Z","spacegroup":221},{"id":"mp-11879","created_at":"2022-09-04T14:42:39.636618Z","structure_string":"Ba1 Ni1 Sn3\n1.0\n-2.435624 2.435624 5.530918\n2.435624 -2.435624 5.530918\n2.435624 2.435624 -5.530918\nBa Ni Sn\n1 1 3\ndirect\n0.001129 0.001129 0.000000 Ba\n0.660016 0.660016 0.000000 Ni\n0.249654 0.749654 0.500000 Sn\n0.427846 0.427846 0.000000 Sn\n0.749654 0.249654 0.500000 Sn\n","nsites":5,"nelements":3,"elements":["Ba","Ni","Sn"],"chemical_system":"Ba-Ni-Sn","density":6.98600332216637,"density_atomic":0.038097133833872296,"volume":131.24346891299425,"volume_molar":15.807332872494712,"formula_full":"Ba1 Ni1 Sn3","formula_reduced":"BaNiSn3","formula_anonymous":"ABC3","energy":-22.10447525,"energy_per_atom":-4.42089505,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.10447525,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.06e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.088000Z","spacegroup":107},{"id":"mp-9415","created_at":"2022-09-04T14:46:30.408407Z","structure_string":"Ba6 Ni25 S27\n1.0\n10.061714 0.000000 0.000000\n0.000000 10.061714 0.000000\n0.000000 0.000000 10.061714\nBa Ni S\n6 25 27\ndirect\n0.500000 0.500000 0.804873 Ba\n0.804873 0.500000 0.500000 Ba\n0.195127 0.500000 0.500000 Ba\n0.500000 0.195127 0.500000 Ba\n0.500000 0.804873 0.500000 Ba\n0.500000 0.500000 0.195127 Ba\n0.133010 0.640655 0.133010 Ni\n0.866990 0.640655 0.866990 Ni\n0.866990 0.133010 0.359345 Ni\n0.866990 0.866990 0.640655 Ni\n0.866990 0.640655 0.133010 Ni\n0.866990 0.359345 0.866990 Ni\n0.133010 0.640655 0.866990 Ni\n0.359345 0.866990 0.866990 Ni\n0.866990 0.133010 0.640655 Ni\n0.866990 0.866990 0.359345 Ni\n0.640655 0.133010 0.866990 Ni\n0.133010 0.866990 0.640655 Ni\n0.640655 0.866990 0.133010 Ni\n0.359345 0.133010 0.133010 Ni\n0.133010 0.133010 0.359345 Ni\n0.359345 0.866990 0.133010 Ni\n0.640655 0.133010 0.133010 Ni\n0.866990 0.359345 0.133010 Ni\n0.133010 0.359345 0.866990 Ni\n0.133010 0.133010 0.640655 Ni\n0.133010 0.866990 0.359345 Ni\n0.133010 0.359345 0.133010 Ni\n0.000000 0.000000 0.000000 Ni\n0.359345 0.133010 0.866990 Ni\n0.640655 0.866990 0.866990 Ni\n0.500000 0.000000 0.762471 S\n0.000000 0.500000 0.762471 S\n0.762471 0.000000 0.500000 S\n0.500000 0.762471 0.000000 S\n0.500000 0.237529 0.000000 S\n0.237529 0.000000 0.500000 S\n0.237529 0.500000 0.000000 S\n0.000000 0.237529 0.500000 S\n0.000000 0.762471 0.500000 S\n0.000000 0.500000 0.237529 S\n0.723483 0.723483 0.723483 S\n0.723483 0.276517 0.723483 S\n0.276517 0.723483 0.723483 S\n0.723483 0.723483 0.276517 S\n0.723483 0.276517 0.276517 S\n0.276517 0.276517 0.723483 S\n0.276517 0.723483 0.276517 S\n0.276517 0.276517 0.276517 S\n0.000000 0.761482 0.000000 S\n0.238518 0.000000 0.000000 S\n0.761482 0.000000 0.000000 S\n0.000000 0.000000 0.761482 S\n0.000000 0.000000 0.238518 S\n0.000000 0.238518 0.000000 S\n0.500000 0.500000 0.500000 S\n0.762471 0.500000 0.000000 S\n0.500000 0.000000 0.237529 S\n","nsites":58,"nelements":3,"elements":["Ba","Ni","S"],"chemical_system":"Ba-Ni-S","density":5.146534958551611,"density_atomic":0.05693929531497772,"volume":1018.6286935789187,"volume_molar":10.576423060184753,"formula_full":"Ba6 Ni25 S27","formula_reduced":"Ba6Ni25S27","formula_anonymous":"A6B25C27","energy":-321.89335426,"energy_per_atom":-5.549885418275863,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-308.31235426,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.2540571,"is_theoretical":false,"updated_at":"2021-11-28T01:37:36.837000Z","spacegroup":221},{"id":"mp-7486","created_at":"2022-09-04T14:46:13.209308Z","structure_string":"Ba2 Ni2 S4\n1.0\n4.420913 0.000000 0.000000\n0.000000 4.420913 0.000000\n0.000000 0.000000 8.972571\nBa Ni S\n2 2 4\ndirect\n0.000000 0.500000 0.197836 Ba\n0.500000 0.000000 0.802164 Ba\n0.500000 0.000000 0.414928 Ni\n0.000000 0.500000 0.585072 Ni\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.500000 S\n0.500000 0.000000 0.157636 S\n0.000000 0.500000 0.842364 S\n","nsites":8,"nelements":3,"elements":["Ba","Ni","S"],"chemical_system":"Ba-Ni-S","density":4.926775245782394,"density_atomic":0.0456193556238828,"volume":175.36416046639232,"volume_molar":13.200845732348023,"formula_full":"Ba2 Ni2 S4","formula_reduced":"BaNiS2","formula_anonymous":"ABC2","energy":-43.44892398,"energy_per_atom":-5.4311154975,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.43692398,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003835,"is_theoretical":false,"updated_at":"2021-11-28T01:37:22.447000Z","spacegroup":129},{"id":"mp-3202","created_at":"2022-09-04T14:39:32.442090Z","structure_string":"Ba2 Ni18 P10\n1.0\n3.260936 -5.648107 0.000000\n3.260936 5.648107 0.000000\n0.000000 0.000000 10.875394\nBa Ni P\n2 18 10\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.464254 0.928508 0.892589 Ni\n0.928508 0.464254 0.107411 Ni\n0.535746 0.071492 0.107411 Ni\n0.071492 0.535746 0.607411 Ni\n0.202870 0.405739 0.250000 Ni\n0.797130 0.202870 0.750000 Ni\n0.405739 0.202870 0.750000 Ni\n0.594261 0.797130 0.250000 Ni\n0.202870 0.797130 0.250000 Ni\n0.797130 0.594261 0.750000 Ni\n0.464254 0.928508 0.607411 Ni\n0.535746 0.464254 0.392589 Ni\n0.928508 0.464254 0.392589 Ni\n0.071492 0.535746 0.892589 Ni\n0.464254 0.535746 0.892589 Ni\n0.535746 0.071492 0.392589 Ni\n0.535746 0.464254 0.107411 Ni\n0.464254 0.535746 0.607411 Ni\n0.175863 0.351726 0.750000 P\n0.824137 0.175863 0.250000 P\n0.175863 0.824137 0.750000 P\n0.824137 0.648274 0.250000 P\n0.333333 0.666667 0.438371 P\n0.666667 0.333333 0.938371 P\n0.666667 0.333333 0.561629 P\n0.333333 0.666667 0.061629 P\n0.351726 0.175863 0.250000 P\n0.648274 0.824137 0.750000 P\n","nsites":30,"nelements":3,"elements":["Ba","Ni","P"],"chemical_system":"Ba-Ni-P","density":6.8014863750625265,"density_atomic":0.07488607497685912,"volume":400.60852447227916,"volume_molar":8.041736413426566,"formula_full":"Ba2 Ni18 P10","formula_reduced":"BaNi9P5","formula_anonymous":"AB5C9","energy":-182.03935849,"energy_per_atom":-6.067978616333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-182.03935849,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007308,"is_theoretical":false,"updated_at":"2021-11-28T01:34:26.293000Z","spacegroup":194},{"id":"mp-9473","created_at":"2022-09-04T14:41:24.130682Z","structure_string":"Ba1 Ni2 P2\n1.0\n-1.973649 1.973649 5.951261\n1.973649 -1.973649 5.951261\n1.973649 1.973649 -5.951261\nBa Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.658829 0.658829 0.000000 P\n0.341171 0.341171 0.000000 P\n","nsites":5,"nelements":3,"elements":["Ba","Ni","P"],"chemical_system":"Ba-Ni-P","density":5.670682010106403,"density_atomic":0.05392140228950392,"volume":92.72755877443632,"volume_molar":11.168368225416573,"formula_full":"Ba1 Ni2 P2","formula_reduced":"Ba(NiP)2","formula_anonymous":"AB2C2","energy":-28.17358026,"energy_per_atom":-5.634716052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.17358026,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002192,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.512000Z","spacegroup":139},{"id":"mp-28927","created_at":"2022-09-04T14:47:27.794539Z","structure_string":"Ba1 Ni2 P4\n1.0\n-3.288803 3.288803 2.890334\n3.288803 -3.288803 2.890334\n3.288803 3.288803 -2.890334\nBa Ni P\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.741942 0.241942 P\n0.741942 0.500000 0.241942 P\n0.258058 0.500000 0.758058 P\n0.500000 0.258058 0.758058 P\n","nsites":7,"nelements":3,"elements":["Ba","Ni","P"],"chemical_system":"Ba-Ni-P","density":5.027546703884274,"density_atomic":0.05597760292466714,"volume":125.05001347450292,"volume_molar":10.758125474047903,"formula_full":"Ba1 Ni2 P4","formula_reduced":"Ba(NiP2)2","formula_anonymous":"AB2C4","energy":-39.7173788,"energy_per_atom":-5.673911257142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.7173788,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0085513,"is_theoretical":false,"updated_at":"2021-11-28T01:38:11.706000Z","spacegroup":139},{"id":"mp-571420","created_at":"2022-09-04T14:43:10.409823Z","structure_string":"Ba1 Ni2 P4\n1.0\n-2.906039 3.256481 3.327979\n2.906039 -3.256481 3.327979\n2.906039 3.256481 -3.327979\nBa Ni P\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.761672 0.261672 Ni\n0.500000 0.238328 0.738328 Ni\n0.754485 0.500000 0.254485 P\n0.245515 0.500000 0.745515 P\n0.760674 0.260674 0.500000 P\n0.239326 0.739326 0.500000 P\n","nsites":7,"nelements":3,"elements":["Ba","Ni","P"],"chemical_system":"Ba-Ni-P","density":4.990560226738552,"density_atomic":0.05556578888231405,"volume":125.97679508925354,"volume_molar":10.837857036016596,"formula_full":"Ba1 Ni2 P4","formula_reduced":"Ba(NiP2)2","formula_anonymous":"AB2C4","energy":-39.72035485,"energy_per_atom":-5.6743364071428575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.72035485,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.74e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:36:07.936000Z","spacegroup":71},{"id":"mp-14765","created_at":"2022-09-04T14:43:50.357131Z","structure_string":"Ba2 Ni20 P12\n1.0\n3.215170 -8.109890 0.000000\n3.215170 8.109890 0.000000\n0.000000 0.000000 8.774264\nBa Ni P\n2 20 12\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.209134 0.790866 0.293566 Ni\n0.290866 0.709134 0.793566 Ni\n0.911755 0.588245 0.750000 Ni\n0.709134 0.290866 0.206434 Ni\n0.088245 0.411755 0.250000 Ni\n0.411755 0.088245 0.750000 Ni\n0.954679 0.045321 0.881482 Ni\n0.045321 0.954679 0.118518 Ni\n0.545321 0.454679 0.381482 Ni\n0.454679 0.545321 0.618518 Ni\n0.476193 0.126413 0.471089 Ni\n0.126413 0.476193 0.528911 Ni\n0.023807 0.373587 0.971089 Ni\n0.373587 0.023807 0.028911 Ni\n0.523807 0.873587 0.528911 Ni\n0.873587 0.523807 0.471089 Ni\n0.976193 0.626413 0.028911 Ni\n0.626413 0.976193 0.971089 Ni\n0.588245 0.911755 0.250000 Ni\n0.790866 0.209134 0.706434 Ni\n0.140481 0.359519 0.750000 P\n0.359519 0.140481 0.250000 P\n0.410084 0.589916 0.372713 P\n0.589916 0.410084 0.627287 P\n0.089916 0.910084 0.872713 P\n0.910084 0.089916 0.127287 P\n0.291383 0.708617 0.074714 P\n0.708617 0.291383 0.925286 P\n0.208617 0.791383 0.574714 P\n0.791383 0.208617 0.425286 P\n0.859519 0.640481 0.250000 P\n0.640481 0.859519 0.750000 P\n","nsites":34,"nelements":3,"elements":["Ba","Ni","P"],"chemical_system":"Ba-Ni-P","density":6.605570233330249,"density_atomic":0.07430521917584264,"volume":457.57216487766897,"volume_molar":8.104599955150738,"formula_full":"Ba2 Ni20 P12","formula_reduced":"Ba(Ni5P3)2","formula_anonymous":"AB6C10","energy":-206.03415012,"energy_per_atom":-6.059827944705882,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-206.03415012,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0187299,"is_theoretical":false,"updated_at":"2021-11-28T01:36:22.860000Z","spacegroup":64},{"id":"mp-19241","created_at":"2022-09-04T14:40:18.988325Z","structure_string":"Ba2 Ni2 O6\n1.0\n2.859453 -4.952718 0.000000\n2.859453 4.952718 0.000000\n0.000000 0.000000 4.826092\nBa Ni O\n2 2 6\ndirect\n0.666667 0.333333 0.749738 Ba\n0.333333 0.666667 0.249738 Ba\n0.000000 0.000000 0.488317 Ni\n0.000000 0.000000 0.988317 Ni\n0.853563 0.146437 0.238149 O\n0.707126 0.853563 0.738149 O\n0.146437 0.292874 0.738149 O\n0.853563 0.707126 0.238149 O\n0.146437 0.853563 0.738149 O\n0.292874 0.146437 0.238149 O\n","nsites":10,"nelements":3,"elements":["Ba","Ni","O"],"chemical_system":"Ba-Ni-O","density":5.928568863055294,"density_atomic":0.07315564512502372,"volume":136.69485086092675,"volume_molar":8.23195633051708,"formula_full":"Ba2 Ni2 O6","formula_reduced":"BaNiO3","formula_anonymous":"ABC3","energy":-63.28540503,"energy_per_atom":-6.328540503,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.08140503,"band_gap":1.5157000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0316065,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.544000Z","spacegroup":186},{"id":"mp-18943","created_at":"2022-09-04T14:42:50.217456Z","structure_string":"Ba2 Ni2 O4\n1.0\n2.910809 -4.661914 0.000000\n2.910809 4.661914 0.000000\n0.000000 0.000000 4.781574\nBa Ni O\n2 2 4\ndirect\n0.653791 0.346209 0.750000 Ba\n0.346209 0.653791 0.250000 Ba\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.138162 0.300746 0.750000 O\n0.861838 0.699254 0.250000 O\n0.699254 0.861838 0.750000 O\n0.300746 0.138162 0.250000 O\n","nsites":8,"nelements":3,"elements":["Ba","Ni","O"],"chemical_system":"Ba-Ni-O","density":5.835413919923742,"density_atomic":0.06164688593028721,"volume":129.77135631873966,"volume_molar":9.76876717959457,"formula_full":"Ba2 Ni2 O4","formula_reduced":"BaNiO2","formula_anonymous":"ABC2","energy":-50.42080824,"energy_per_atom":-6.30260103,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.59080824,"band_gap":2.0426,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0007982,"is_theoretical":false,"updated_at":"2021-11-28T01:35:52.836000Z","spacegroup":63}]}