{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12171","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-volume&page=12169","results":[{"id":"mp-989782","created_at":"2022-09-04T14:41:30.887865Z","structure_string":"Cu2\n1.0\n1.275594 -2.209394 0.000000\n1.275594 2.209394 0.000000\n0.000000 0.000000 4.190019\nCu\n2\ndirect\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n","nsites":2,"nelements":1,"elements":["Cu"],"chemical_system":"Cu","density":8.935846204754887,"density_atomic":0.08468341622343233,"volume":23.617375032711422,"volume_molar":7.11135784143489,"formula_full":"Cu2","formula_reduced":"Cu","formula_anonymous":"A","energy":-8.18342969,"energy_per_atom":-4.091714845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-8.18342969,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0015469,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.025000Z","spacegroup":194},{"id":"mp-1059289","created_at":"2022-09-04T14:46:27.564633Z","structure_string":"Cr2\n1.0\n0.000000 -2.274707 0.000000\n-2.449084 1.137354 0.000000\n0.000000 0.000000 -4.236838\nCr\n2\ndirect\n0.860699 0.721397 0.750000 Cr\n0.139301 0.278603 0.250000 Cr\n","nsites":2,"nelements":1,"elements":["Cr"],"chemical_system":"Cr","density":7.316086973554048,"density_atomic":0.08473425041949406,"volume":23.603206378749974,"volume_molar":7.107091560008111,"formula_full":"Cr2","formula_reduced":"Cr","formula_anonymous":"A","energy":-18.6342467,"energy_per_atom":-9.31712335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.6342467,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0104928,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.289000Z","spacegroup":63},{"id":"mp-753890","created_at":"2022-09-04T14:39:27.213098Z","structure_string":"Ni2 H1\n1.0\n1.275092 -2.208524 0.000000\n1.275092 2.208524 0.000000\n0.000000 0.000000 4.187901\nNi H\n2 1\ndirect\n0.333333 0.666667 0.259578 Ni\n0.666667 0.333333 0.740422 Ni\n0.000000 0.000000 0.000000 H\n","nsites":3,"nelements":2,"elements":["Ni","H"],"chemical_system":"H-Ni","density":8.335112372080578,"density_atomic":0.12718948486841508,"volume":23.586855494411935,"volume_molar":4.734778795770936,"formula_full":"Ni2 H1","formula_reduced":"Ni2H","formula_anonymous":"AB2","energy":-15.128588060000002,"energy_per_atom":-5.042862686666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.94958806,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0062595,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.648000Z","spacegroup":164},{"id":"mp-1491","created_at":"2022-09-04T14:47:40.866448Z","structure_string":"V1 B2\n1.0\n1.499110 -2.596535 0.000000\n1.499110 2.596535 0.000000\n0.000000 0.000000 3.029774\nV B\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n","nsites":3,"nelements":2,"elements":["V","B"],"chemical_system":"B-V","density":5.108570690305548,"density_atomic":0.12719010986265247,"volume":23.5867395919351,"volume_molar":4.734755529736605,"formula_full":"V1 B2","formula_reduced":"VB2","formula_anonymous":"AB2","energy":-24.65921071,"energy_per_atom":-8.219736903333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.65921071,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0028625,"is_theoretical":false,"updated_at":"2021-11-28T01:38:19.853000Z","spacegroup":191},{"id":"mp-1220079","created_at":"2022-09-04T14:40:21.205818Z","structure_string":"Ni2 H1\n1.0\n4.246217 -1.275652 0.000000\n4.246217 1.275652 0.000000\n3.862984 0.000000 2.176005\nNi H\n2 1\ndirect\n0.252673 0.252673 0.252673 Ni\n0.747327 0.747327 0.747327 Ni\n0.500000 0.500000 0.500000 H\n","nsites":3,"nelements":2,"elements":["Ni","H"],"chemical_system":"H-Ni","density":8.339830460257781,"density_atomic":0.12726148044304372,"volume":23.57351171427445,"volume_molar":4.732100191695655,"formula_full":"Ni2 H1","formula_reduced":"Ni2H","formula_anonymous":"AB2","energy":-15.13821957,"energy_per_atom":-5.04607319,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.959219570000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.2256463,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.331000Z","spacegroup":166},{"id":"mp-632291","created_at":"2022-09-04T14:40:34.559165Z","structure_string":"H2\n1.0\n-1.690471 1.690471 2.060270\n1.690471 -1.690471 2.060270\n1.690471 1.690471 -2.060270\nH\n2\ndirect\n0.908965 0.908965 0.000000 H\n0.091035 0.091035 0.000000 H\n","nsites":2,"nelements":1,"elements":["H"],"chemical_system":"H","density":0.1421393070441629,"density_atomic":0.08492399496444408,"volume":23.55047005074783,"volume_molar":7.091212280488389,"formula_full":"H2","formula_reduced":"H","formula_anonymous":"A","energy":-6.78267972,"energy_per_atom":-3.39133986,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.78267972,"band_gap":8.8499,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:34:59.514000Z","spacegroup":139},{"id":"mp-10728","created_at":"2022-09-04T14:43:38.291374Z","structure_string":"Pd1 O1\n1.0\n0.000000 2.273419 2.273419\n2.273419 0.000000 2.273419\n2.273419 2.273419 0.000000\nPd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Pd","O"],"chemical_system":"O-Pd","density":8.650294485871516,"density_atomic":0.08510626751539778,"volume":23.500031882354044,"volume_molar":7.076024993001191,"formula_full":"Pd1 O1","formula_reduced":"PdO","formula_anonymous":"AB","energy":-10.8083861,"energy_per_atom":-5.40419305,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.1213861,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003334,"is_theoretical":false,"updated_at":"2021-11-28T01:36:21.548000Z","spacegroup":225},{"id":"mp-1479","created_at":"2022-09-04T14:42:52.777996Z","structure_string":"B1 P1\n1.0\n0.000000 2.273408 2.273408\n2.273408 0.000000 2.273408\n2.273408 2.273408 0.000000\nB P\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 P\n","nsites":2,"nelements":2,"elements":["B","P"],"chemical_system":"B-P","density":2.9526018183160376,"density_atomic":0.08510750289436064,"volume":23.499690767363862,"volume_molar":7.07592228087688,"formula_full":"B1 P1","formula_reduced":"BP","formula_anonymous":"AB","energy":-12.90766891,"energy_per_atom":-6.453834455,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.90766891,"band_gap":1.2434999999999992,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001155,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.966000Z","spacegroup":216},{"id":"mp-830","created_at":"2022-09-04T14:40:04.266075Z","structure_string":"Ga1 N1\n1.0\n0.000000 2.272788 2.272788\n2.272788 0.000000 2.272788\n2.272788 2.272788 0.000000\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 N\n","nsites":2,"nelements":2,"elements":["Ga","N"],"chemical_system":"Ga-N","density":5.921365293060229,"density_atomic":0.08517717201545077,"volume":23.48046962203921,"volume_molar":7.070134658741205,"formula_full":"Ga1 N1","formula_reduced":"GaN","formula_anonymous":"AB","energy":-12.66764026,"energy_per_atom":-6.33382013,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.30664026,"band_gap":1.5701000000000005,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0089159,"is_theoretical":true,"updated_at":"2021-11-28T01:34:49.277000Z","spacegroup":216},{"id":"mp-1228868","created_at":"2022-09-04T14:44:19.812957Z","structure_string":"Al1 Ni1\n1.0\n-1.938694 -1.381114 1.381114\n-1.938694 1.381114 -1.381114\n0.000000 -2.191628 -2.191628\nAl Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ni\n","nsites":2,"nelements":2,"elements":["Al","Ni"],"chemical_system":"Al-Ni","density":6.060902167304869,"density_atomic":0.085204860588514,"volume":23.472839297968516,"volume_molar":7.0678371144613,"formula_full":"Al1 Ni1","formula_reduced":"AlNi","formula_anonymous":"AB","energy":-10.78983241,"energy_per_atom":-5.394916205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.78983241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001836,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.652000Z","spacegroup":123},{"id":"mp-24723","created_at":"2022-09-04T14:48:11.997282Z","structure_string":"Ta1 H2\n1.0\n0.000000 2.270350 2.270350\n2.270350 0.000000 2.270350\n2.270350 2.270350 0.000000\nTa H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n","nsites":3,"nelements":2,"elements":["Ta","H"],"chemical_system":"H-Ta","density":12.980927886206501,"density_atomic":0.12817780136322032,"volume":23.40498875853575,"volume_molar":4.698271226337331,"formula_full":"Ta1 H2","formula_reduced":"TaH2","formula_anonymous":"AB2","energy":-19.27514028,"energy_per_atom":-6.42504676,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.91714028,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010598,"is_theoretical":false,"updated_at":"2021-11-28T01:38:35.085000Z","spacegroup":225},{"id":"mp-2828","created_at":"2022-09-04T14:40:14.145301Z","structure_string":"Hf1 N1\n1.0\n0.000000 2.268871 2.268871\n2.268871 0.000000 2.268871\n2.268871 2.268871 0.000000\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Hf","N"],"chemical_system":"Hf-N","density":13.68399724663909,"density_atomic":0.08561908604894641,"volume":23.359277613132278,"volume_molar":7.03364289190997,"formula_full":"Hf1 N1","formula_reduced":"HfN","formula_anonymous":"AB","energy":-22.15075196,"energy_per_atom":-11.07537598,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-21.78975196,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.000136,"is_theoretical":false,"updated_at":"2021-11-28T01:34:55.731000Z","spacegroup":225}]}