{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=31","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=29","results":[{"id":"mp-579779","created_at":"2022-09-04T14:41:52.817851Z","structure_string":"Pr8 P12 Au4\n1.0\n4.219125 0.000000 0.000000\n0.000000 7.790566 0.000000\n0.000000 0.000000 16.353950\nPr P Au\n8 12 4\ndirect\n0.750000 0.899607 0.797221 Pr\n0.250000 0.732384 0.024308 Pr\n0.250000 0.600393 0.297221 Pr\n0.250000 0.100393 0.202779 Pr\n0.750000 0.767616 0.524308 Pr\n0.250000 0.232384 0.475692 Pr\n0.750000 0.399607 0.702779 Pr\n0.750000 0.267616 0.975692 Pr\n0.750000 0.617388 0.912493 P\n0.750000 0.797173 0.201493 P\n0.750000 0.297173 0.298507 P\n0.250000 0.202827 0.798507 P\n0.750000 0.966422 0.093553 P\n0.250000 0.382612 0.087507 P\n0.750000 0.117388 0.587507 P\n0.250000 0.533578 0.593553 P\n0.750000 0.466422 0.406447 P\n0.250000 0.882612 0.412493 P\n0.250000 0.033578 0.906447 P\n0.250000 0.702827 0.701493 P\n0.250000 0.511321 0.849283 Au\n0.750000 0.488679 0.150717 Au\n0.750000 0.988679 0.349283 Au\n0.250000 0.011321 0.650717 Au\n","nsites":24,"nelements":3,"elements":["Pr","P","Au"],"chemical_system":"Au-P-Pr","density":7.064242651274561,"density_atomic":0.0446475027308246,"volume":537.5440625356728,"volume_molar":13.488191705383601,"formula_full":"Pr8 P12 Au4","formula_reduced":"Pr2P3Au","formula_anonymous":"AB2C3","energy":-140.86663244,"energy_per_atom":-5.869443018333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.86663244,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.01e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:30.731000Z","spacegroup":62},{"id":"mp-1179514","created_at":"2022-09-04T14:41:53.557388Z","structure_string":"Sm10 Pb6\n1.0\n4.630376 -8.020047 0.000000\n4.630376 8.020047 0.000000\n0.000000 0.000000 6.806643\nSm Pb\n10 6\ndirect\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.760576 0.760576 0.250000 Sm\n0.239424 0.000000 0.250000 Sm\n0.000000 0.239424 0.250000 Sm\n0.239424 0.239424 0.750000 Sm\n0.760576 0.000000 0.750000 Sm\n0.000000 0.760576 0.750000 Sm\n0.394562 0.394562 0.250000 Pb\n0.605438 0.000000 0.250000 Pb\n0.000000 0.605438 0.250000 Pb\n0.605438 0.605438 0.750000 Pb\n0.394562 0.000000 0.750000 Pb\n0.000000 0.394562 0.750000 Pb\n","nsites":16,"nelements":2,"elements":["Sm","Pb"],"chemical_system":"Pb-Sm","density":9.022356756554045,"density_atomic":0.03164928055551604,"volume":505.5407174875392,"volume_molar":19.027733503883468,"formula_full":"Sm10 Pb6","formula_reduced":"Sm5Pb3","formula_anonymous":"A3B5","energy":-78.20598859,"energy_per_atom":-4.887874286875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.20598859,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.008555,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.206000Z","spacegroup":193},{"id":"mp-1187892","created_at":"2022-09-04T14:41:54.363268Z","structure_string":"Yb2 H6 Ru1\n1.0\n0.000000 3.548136 3.548136\n3.548136 0.000000 3.548136\n3.548136 3.548136 0.000000\nYb H Ru\n2 6 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.758149 0.241851 0.241851 H\n0.758149 0.758149 0.241851 H\n0.241851 0.758149 0.241851 H\n0.758149 0.241851 0.758149 H\n0.241851 0.241851 0.758149 H\n0.241851 0.758149 0.758149 H\n0.000000 0.000000 0.000000 Ru\n","nsites":9,"nelements":3,"elements":["Yb","H","Ru"],"chemical_system":"H-Ru-Yb","density":8.423759661666299,"density_atomic":0.1007422717065468,"volume":89.33687763381188,"volume_molar":5.977769468552344,"formula_full":"Yb2 H6 Ru1","formula_reduced":"Yb2H6Ru","formula_anonymous":"AB2C6","energy":-39.77743602,"energy_per_atom":-4.419715113333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.70343602,"band_gap":2.5016000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003597,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.190000Z","spacegroup":225},{"id":"mp-555131","created_at":"2022-09-04T14:41:54.370906Z","structure_string":"Cs8 C8 O16\n1.0\n11.190552 0.000000 0.000000\n0.000000 6.723197 0.000000\n0.000000 1.056130 8.680534\nCs C O\n8 8 16\ndirect\n0.795865 0.285441 0.517565 Cs\n0.704135 0.285441 0.017565 Cs\n0.204135 0.714559 0.482435 Cs\n0.912541 0.770596 0.831344 Cs\n0.587459 0.770596 0.331344 Cs\n0.295865 0.714559 0.982435 Cs\n0.087459 0.229404 0.168656 Cs\n0.412541 0.229404 0.668656 Cs\n0.890246 0.833152 0.333023 C\n0.942671 0.690518 0.225521 C\n0.609754 0.833152 0.833023 C\n0.109754 0.166848 0.666977 C\n0.442671 0.309482 0.274479 C\n0.390246 0.166848 0.166977 C\n0.057329 0.309482 0.774479 C\n0.557329 0.690518 0.725521 C\n0.951839 0.273219 0.826464 O\n0.548161 0.273219 0.326464 O\n0.451839 0.726781 0.673536 O\n0.048161 0.726781 0.173536 O\n0.891154 0.775889 0.476890 O\n0.624346 0.547653 0.694381 O\n0.847454 0.997735 0.267161 O\n0.152546 0.002265 0.732839 O\n0.124346 0.452347 0.805619 O\n0.391154 0.224111 0.023110 O\n0.608846 0.775889 0.976890 O\n0.108846 0.224111 0.523110 O\n0.652546 0.997735 0.767161 O\n0.375654 0.452347 0.305619 O\n0.347454 0.002265 0.232839 O\n0.875654 0.547653 0.194381 O\n","nsites":32,"nelements":3,"elements":["Cs","C","O"],"chemical_system":"C-Cs-O","density":3.598568997595702,"density_atomic":0.048997755843343135,"volume":653.091135486107,"volume_molar":12.290646084392398,"formula_full":"Cs8 C8 O16","formula_reduced":"CsCO2","formula_anonymous":"ABC2","energy":-220.95341036,"energy_per_atom":-6.90479407375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-209.96141036,"band_gap":4.1557,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005998,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.767000Z","spacegroup":14},{"id":"mp-721077","created_at":"2022-09-04T14:41:54.431687Z","structure_string":"Cs4 Fe4 H96 Se8 O80\n1.0\n12.776569 0.000000 0.000000\n0.000000 12.776569 0.000000\n0.000000 0.000000 12.776569\nCs Fe H Se O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.218551 0.621354 0.169116 H\n0.781449 0.121354 0.330884 H\n0.281449 0.378646 0.669116 H\n0.718551 0.878646 0.830884 H\n0.169116 0.218551 0.621354 H\n0.330884 0.781449 0.121354 H\n0.669116 0.281449 0.378646 H\n0.830884 0.718551 0.878646 H\n0.621354 0.169116 0.218551 H\n0.121354 0.330884 0.781449 H\n0.378646 0.669116 0.281449 H\n0.878646 0.830884 0.718551 H\n0.781449 0.378646 0.830884 H\n0.218551 0.878646 0.669116 H\n0.718551 0.621354 0.330884 H\n0.281449 0.121354 0.169116 H\n0.830884 0.781449 0.378646 H\n0.669116 0.218551 0.878646 H\n0.330884 0.718551 0.621354 H\n0.169116 0.281449 0.121354 H\n0.378646 0.830884 0.781449 H\n0.878646 0.669116 0.218551 H\n0.621354 0.330884 0.718551 H\n0.121354 0.169116 0.281449 H\n0.218629 0.501629 0.193231 H\n0.781371 0.001629 0.306769 H\n0.281371 0.498371 0.693231 H\n0.718629 0.998371 0.806769 H\n0.193231 0.218629 0.501629 H\n0.306769 0.781371 0.001629 H\n0.693231 0.281371 0.498371 H\n0.806769 0.718629 0.998371 H\n0.501629 0.193231 0.218629 H\n0.001629 0.306769 0.781371 H\n0.498371 0.693231 0.281371 H\n0.998371 0.806769 0.718629 H\n0.781371 0.498371 0.806769 H\n0.218629 0.998371 0.693231 H\n0.718629 0.501629 0.306769 H\n0.281371 0.001629 0.193231 H\n0.806769 0.781371 0.498371 H\n0.693231 0.218629 0.998371 H\n0.306769 0.718629 0.501629 H\n0.193231 0.281371 0.001629 H\n0.498371 0.806769 0.781371 H\n0.998371 0.693231 0.218629 H\n0.501629 0.306769 0.718629 H\n0.001629 0.193231 0.281371 H\n0.581552 0.691728 0.034349 H\n0.418448 0.191728 0.465651 H\n0.918448 0.308272 0.534349 H\n0.081552 0.808272 0.965651 H\n0.034349 0.581552 0.691728 H\n0.465651 0.418448 0.191728 H\n0.534349 0.918448 0.308272 H\n0.965651 0.081552 0.808272 H\n0.691728 0.034349 0.581552 H\n0.191728 0.465651 0.418448 H\n0.308272 0.534349 0.918448 H\n0.808272 0.965651 0.081552 H\n0.418448 0.308272 0.965651 H\n0.581552 0.808272 0.534349 H\n0.081552 0.691728 0.465651 H\n0.918448 0.191728 0.034349 H\n0.965651 0.418448 0.308272 H\n0.534349 0.581552 0.808272 H\n0.465651 0.081552 0.691728 H\n0.034349 0.918448 0.191728 H\n0.308272 0.965651 0.418448 H\n0.808272 0.534349 0.581552 H\n0.691728 0.465651 0.081552 H\n0.191728 0.034349 0.918448 H\n0.454692 0.708073 0.030718 H\n0.545308 0.208073 0.469282 H\n0.045308 0.291927 0.530718 H\n0.954692 0.791927 0.969282 H\n0.030718 0.454692 0.708073 H\n0.469282 0.545308 0.208073 H\n0.530718 0.045308 0.291927 H\n0.969282 0.954692 0.791927 H\n0.708073 0.030718 0.454692 H\n0.208073 0.469282 0.545308 H\n0.291927 0.530718 0.045308 H\n0.791927 0.969282 0.954692 H\n0.545308 0.291927 0.969282 H\n0.454692 0.791927 0.530718 H\n0.954692 0.708073 0.469282 H\n0.045308 0.208073 0.030718 H\n0.969282 0.545308 0.291927 H\n0.530718 0.454692 0.791927 H\n0.469282 0.954692 0.708073 H\n0.030718 0.045308 0.208073 H\n0.291927 0.969282 0.545308 H\n0.791927 0.530718 0.454692 H\n0.708073 0.469282 0.954692 H\n0.208073 0.030718 0.045308 H\n0.188739 0.811261 0.311261 Se\n0.811261 0.311261 0.188739 Se\n0.311261 0.188739 0.811261 Se\n0.688739 0.688739 0.688739 Se\n0.811261 0.188739 0.688739 Se\n0.188739 0.688739 0.811261 Se\n0.688739 0.811261 0.188739 Se\n0.311261 0.311261 0.311261 Se\n0.264952 0.735048 0.235048 O\n0.735048 0.235048 0.264952 O\n0.235048 0.264952 0.735048 O\n0.764952 0.764952 0.764952 O\n0.735048 0.264952 0.764952 O\n0.264952 0.764952 0.735048 O\n0.764952 0.735048 0.264952 O\n0.235048 0.235048 0.235048 O\n0.066823 0.813181 0.262961 O\n0.933177 0.313181 0.237039 O\n0.433177 0.186819 0.762961 O\n0.566823 0.686819 0.737039 O\n0.262961 0.066823 0.813181 O\n0.237039 0.933177 0.313181 O\n0.762961 0.433177 0.186819 O\n0.737039 0.566823 0.686819 O\n0.813181 0.262961 0.066823 O\n0.313181 0.237039 0.933177 O\n0.186819 0.762961 0.433177 O\n0.686819 0.737039 0.566823 O\n0.933177 0.186819 0.737039 O\n0.066823 0.686819 0.762961 O\n0.566823 0.813181 0.237039 O\n0.433177 0.313181 0.262961 O\n0.737039 0.933177 0.186819 O\n0.762961 0.066823 0.686819 O\n0.237039 0.566823 0.813181 O\n0.262961 0.433177 0.313181 O\n0.186819 0.737039 0.933177 O\n0.686819 0.762961 0.066823 O\n0.813181 0.237039 0.566823 O\n0.313181 0.262961 0.433177 O\n0.207581 0.552214 0.135526 O\n0.792419 0.052214 0.364474 O\n0.292419 0.447786 0.635526 O\n0.707581 0.947786 0.864474 O\n0.135526 0.207581 0.552214 O\n0.364474 0.792419 0.052214 O\n0.635526 0.292419 0.447786 O\n0.864474 0.707581 0.947786 O\n0.552214 0.135526 0.207581 O\n0.052214 0.364474 0.792419 O\n0.447786 0.635526 0.292419 O\n0.947786 0.864474 0.707581 O\n0.792419 0.447786 0.864474 O\n0.207581 0.947786 0.635526 O\n0.707581 0.552214 0.364474 O\n0.292419 0.052214 0.135526 O\n0.864474 0.792419 0.447786 O\n0.635526 0.207581 0.947786 O\n0.364474 0.707581 0.552214 O\n0.135526 0.292419 0.052214 O\n0.447786 0.864474 0.792419 O\n0.947786 0.635526 0.207581 O\n0.552214 0.364474 0.707581 O\n0.052214 0.135526 0.292419 O\n0.514215 0.657931 0.012390 O\n0.485785 0.157931 0.487610 O\n0.985785 0.342069 0.512390 O\n0.014215 0.842069 0.987610 O\n0.012390 0.514215 0.657931 O\n0.487610 0.485785 0.157931 O\n0.512390 0.985785 0.342069 O\n0.987610 0.014215 0.842069 O\n0.657931 0.012390 0.514215 O\n0.157931 0.487610 0.485785 O\n0.342069 0.512390 0.985785 O\n0.842069 0.987610 0.014215 O\n0.485785 0.342069 0.987610 O\n0.514215 0.842069 0.512390 O\n0.014215 0.657931 0.487610 O\n0.985785 0.157931 0.012390 O\n0.987610 0.485785 0.342069 O\n0.512390 0.514215 0.842069 O\n0.487610 0.014215 0.657931 O\n0.012390 0.985785 0.157931 O\n0.342069 0.987610 0.485785 O\n0.842069 0.512390 0.514215 O\n0.657931 0.487610 0.014215 O\n0.157931 0.012390 0.985785 O\n","nsites":192,"nelements":5,"elements":["Cs","Fe","H","Se","O"],"chemical_system":"Cs-Fe-H-O-Se","density":2.2001358385769088,"density_atomic":0.09205735542708064,"volume":2085.656264067728,"volume_molar":6.541726874578952,"formula_full":"Cs4 Fe4 H96 Se8 O80","formula_reduced":"CsFeH24(SeO10)2","formula_anonymous":"ABC2D20E24","energy":-1040.85065007,"energy_per_atom":-5.42109713578125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-976.86665007,"band_gap":2.9045,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":20.0000063,"is_theoretical":false,"updated_at":"2021-11-28T01:35:36.101000Z","spacegroup":205},{"id":"mp-1079088","created_at":"2022-09-04T14:41:53.350584Z","structure_string":"Na1 As1 F6\n1.0\n4.964553 -2.709173 0.000000\n4.964553 2.709173 0.000000\n3.486149 0.000000 4.453445\nNa As F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.209327 0.678035 0.895267 F\n0.895267 0.209327 0.678035 F\n0.678035 0.895267 0.209327 F\n0.790673 0.321965 0.104733 F\n0.104733 0.790673 0.321965 F\n0.321965 0.104733 0.790673 F\n","nsites":8,"nelements":3,"elements":["Na","As","F"],"chemical_system":"As-F-Na","density":2.9372488383540043,"density_atomic":0.0667800912289009,"volume":119.79618255654287,"volume_molar":9.017868423326972,"formula_full":"Na1 As1 F6","formula_reduced":"NaAsF6","formula_anonymous":"ABC6","energy":-39.03600191,"energy_per_atom":-4.87950023875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.26400191,"band_gap":5.1368,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.83e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.332000Z","spacegroup":148},{"id":"mp-21111","created_at":"2022-09-04T14:41:53.356381Z","structure_string":"Nd3 Sn3 Pt3\n1.0\n3.824565 -6.624340 0.000000\n3.824565 6.624340 0.000000\n0.000000 0.000000 4.151598\nNd Sn Pt\n3 3 3\ndirect\n0.589980 0.589980 0.000000 Nd\n0.410020 0.000000 0.000000 Nd\n0.000000 0.410020 0.000000 Nd\n0.000000 0.746818 0.500000 Sn\n0.253182 0.253182 0.500000 Sn\n0.746818 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n0.666667 0.333333 0.500000 Pt\n","nsites":9,"nelements":3,"elements":["Nd","Sn","Pt"],"chemical_system":"Nd-Pt-Sn","density":10.846759593087217,"density_atomic":0.04278313041902274,"volume":210.36328833007306,"volume_molar":14.07597036733517,"formula_full":"Nd3 Sn3 Pt3","formula_reduced":"NdSnPt","formula_anonymous":"ABC","energy":-53.95378538,"energy_per_atom":-5.994865042222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-53.95378538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0035187,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.612000Z","spacegroup":189},{"id":"mp-31229","created_at":"2022-09-04T14:41:54.471309Z","structure_string":"Na16 B36 Se36\n1.0\n16.495814 0.000000 0.000000\n0.000000 11.144085 0.000000\n0.000000 5.506244 10.333368\nNa B Se\n16 36 36\ndirect\n0.577821 0.813410 0.204549 Na\n0.077821 0.186590 0.295451 Na\n0.422179 0.186590 0.795451 Na\n0.922179 0.813410 0.704549 Na\n0.340014 0.532601 0.433453 Na\n0.840014 0.467399 0.066547 Na\n0.659986 0.467399 0.566547 Na\n0.159986 0.532601 0.933453 Na\n0.757934 0.063270 0.236105 Na\n0.257934 0.936730 0.263895 Na\n0.242066 0.936730 0.763895 Na\n0.742066 0.063270 0.736105 Na\n0.376706 0.030711 0.459642 Na\n0.876706 0.969289 0.040358 Na\n0.623294 0.969289 0.540358 Na\n0.123294 0.030711 0.959642 Na\n0.510683 0.499462 0.855669 B\n0.010683 0.500538 0.644331 B\n0.489317 0.500538 0.144331 B\n0.989317 0.499462 0.355669 B\n0.864261 0.176892 0.488953 B\n0.364261 0.823108 0.011047 B\n0.135739 0.823108 0.511047 B\n0.635739 0.176892 0.988953 B\n0.565287 0.615860 0.892957 B\n0.065287 0.384140 0.607043 B\n0.434713 0.384140 0.107043 B\n0.934713 0.615860 0.392957 B\n0.724043 0.718166 0.940115 B\n0.224043 0.281834 0.559885 B\n0.275957 0.281834 0.059885 B\n0.775957 0.718166 0.440115 B\n0.583429 0.536750 0.061128 B\n0.083429 0.463250 0.438872 B\n0.416571 0.463250 0.938872 B\n0.916571 0.536750 0.561128 B\n0.501664 0.654353 0.995150 B\n0.001664 0.345647 0.504850 B\n0.498336 0.345647 0.004850 B\n0.998336 0.654353 0.495150 B\n0.541501 0.369802 0.130861 B\n0.041501 0.630198 0.369139 B\n0.458499 0.630198 0.869139 B\n0.958499 0.369802 0.630861 B\n0.588895 0.440071 0.975398 B\n0.088895 0.559929 0.524602 B\n0.411105 0.559929 0.024602 B\n0.911105 0.440071 0.475398 B\n0.553909 0.303737 0.411227 B\n0.053909 0.696263 0.088773 B\n0.446091 0.696263 0.588773 B\n0.946091 0.303737 0.911227 B\n0.577024 0.208758 0.594995 Se\n0.077024 0.791242 0.905005 Se\n0.422976 0.791242 0.405005 Se\n0.922976 0.208758 0.094995 Se\n0.695771 0.021001 0.005560 Se\n0.195771 0.978999 0.494440 Se\n0.304229 0.978999 0.994440 Se\n0.804229 0.021001 0.505560 Se\n0.506137 0.519950 0.674089 Se\n0.006137 0.480050 0.825911 Se\n0.493863 0.480050 0.325911 Se\n0.993863 0.519950 0.174089 Se\n0.669094 0.797286 0.416541 Se\n0.169094 0.202714 0.083459 Se\n0.330906 0.202714 0.583459 Se\n0.830906 0.797286 0.916541 Se\n0.688820 0.351001 0.951290 Se\n0.188820 0.648999 0.548710 Se\n0.311180 0.648999 0.048710 Se\n0.811180 0.351001 0.451290 Se\n0.685146 0.593987 0.117422 Se\n0.185146 0.406013 0.382578 Se\n0.314854 0.406013 0.882578 Se\n0.814854 0.593987 0.617422 Se\n0.588130 0.225812 0.297929 Se\n0.088130 0.774188 0.202071 Se\n0.411870 0.774188 0.702071 Se\n0.911870 0.225812 0.797929 Se\n0.657040 0.739566 0.791746 Se\n0.157040 0.260434 0.708254 Se\n0.342960 0.260434 0.208254 Se\n0.842960 0.739566 0.291746 Se\n0.516386 0.160614 0.017696 Se\n0.016386 0.839386 0.482304 Se\n0.483614 0.839386 0.982304 Se\n0.983614 0.160614 0.517696 Se\n","nsites":88,"nelements":3,"elements":["Na","B","Se"],"chemical_system":"B-Na-Se","density":3.146605877409789,"density_atomic":0.04632576599100642,"volume":1899.5908241880798,"volume_molar":12.999549238255714,"formula_full":"Na16 B36 Se36","formula_reduced":"Na4(BSe)9","formula_anonymous":"A4B9C9","energy":-447.83227192,"energy_per_atom":-5.089003089999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-430.84027192,"band_gap":2.2101,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001973,"is_theoretical":false,"updated_at":"2021-11-28T01:35:32.865000Z","spacegroup":14},{"id":"mp-558632","created_at":"2022-09-04T14:41:52.832166Z","structure_string":"K2 Na2 S2 O8\n1.0\n2.848042 -4.932954 0.000000\n2.848042 4.932954 0.000000\n0.000000 0.000000 7.284590\nK Na S O\n2 2 2 8\ndirect\n0.333333 0.666667 0.327775 K\n0.000000 0.000000 0.002927 K\n0.000000 0.000000 0.502916 Na\n0.666667 0.333333 0.702898 Na\n0.333333 0.666667 0.771222 S\n0.666667 0.333333 0.232727 S\n0.190682 0.809318 0.698746 O\n0.809058 0.190942 0.304626 O\n0.333333 0.666667 0.972911 O\n0.809058 0.618117 0.304626 O\n0.190682 0.381364 0.698746 O\n0.666667 0.333333 0.029508 O\n0.381883 0.190942 0.304626 O\n0.618636 0.809318 0.698746 O\n","nsites":14,"nelements":4,"elements":["K","Na","S","O"],"chemical_system":"K-Na-O-S","density":2.566029016818312,"density_atomic":0.06839738084227698,"volume":204.68620037196638,"volume_molar":8.804636501925328,"formula_full":"K2 Na2 S2 O8","formula_reduced":"KNaSO4","formula_anonymous":"ABCD4","energy":-83.94141852999999,"energy_per_atom":-5.995815609285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-78.44541853,"band_gap":4.9724,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.619000Z","spacegroup":156},{"id":"mp-28110","created_at":"2022-09-04T14:41:53.359388Z","structure_string":"Rb2 Pt1 I6\n1.0\n0.000000 5.766623 5.766623\n5.766623 0.000000 5.766623\n5.766623 5.766623 0.000000\nRb Pt I\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Pt\n0.235019 0.764981 0.235019 I\n0.764981 0.235019 0.764981 I\n0.764981 0.764981 0.235019 I\n0.235019 0.235019 0.764981 I\n0.235019 0.764981 0.764981 I\n0.764981 0.235019 0.235019 I\n","nsites":9,"nelements":3,"elements":["Rb","Pt","I"],"chemical_system":"I-Pt-Rb","density":4.881466736839251,"density_atomic":0.02346647376218242,"volume":383.52587999412253,"volume_molar":25.66274260474971,"formula_full":"Rb2 Pt1 I6","formula_reduced":"Rb2PtI6","formula_anonymous":"AB2C6","energy":-26.4736163,"energy_per_atom":-2.941512922222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.199616299999995,"band_gap":0.5209999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002427,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.041000Z","spacegroup":225},{"id":"mp-1019529","created_at":"2022-09-04T14:41:52.817735Z","structure_string":"Ba8 Al10 B12 O41\n1.0\n9.353635 0.000000 0.000000\n2.065441 9.715460 0.000000\n3.148835 2.059133 10.585586\nBa Al B O\n8 10 12 41\ndirect\n0.777621 0.948024 0.855277 Ba\n0.222379 0.051976 0.144723 Ba\n0.804261 0.424790 0.848997 Ba\n0.195739 0.575210 0.151003 Ba\n0.790453 0.571646 0.446051 Ba\n0.209547 0.428354 0.553949 Ba\n0.210670 0.943898 0.557502 Ba\n0.789330 0.056102 0.442498 Ba\n0.583344 0.289398 0.704529 Al\n0.416656 0.710602 0.295471 Al\n0.452029 0.339637 0.992904 Al\n0.547971 0.660363 0.007096 Al\n0.103044 0.135016 0.813746 Al\n0.896956 0.864984 0.186254 Al\n0.131018 0.637580 0.795338 Al\n0.868982 0.362420 0.204662 Al\n0.579662 0.792411 0.707059 Al\n0.420338 0.207589 0.292941 Al\n0.903007 0.215791 0.646172 B\n0.096993 0.784209 0.353828 B\n0.431338 0.075077 0.666666 B\n0.568662 0.924923 0.333334 B\n0.439474 0.576465 0.663051 B\n0.560526 0.423535 0.336949 B\n0.180594 0.349959 0.908623 B\n0.819406 0.650041 0.091377 B\n0.118527 0.842533 0.939767 B\n0.881473 0.157467 0.060233 B\n0.900589 0.715876 0.656737 B\n0.099411 0.284124 0.343263 B\n0.922291 0.085628 0.620777 O\n0.077709 0.914372 0.379223 O\n0.774629 0.315376 0.630060 O\n0.225371 0.684624 0.369940 O\n0.003870 0.252979 0.699844 O\n0.996130 0.747021 0.300156 O\n0.465125 0.939304 0.642199 O\n0.534875 0.060696 0.357801 O\n0.286053 0.143634 0.680469 O\n0.713947 0.856366 0.319531 O\n0.552402 0.137041 0.665970 O\n0.447598 0.862959 0.334030 O\n0.463255 0.438945 0.647631 O\n0.536745 0.561055 0.352369 O\n0.295607 0.652173 0.670171 O\n0.704393 0.347827 0.329829 O\n0.558628 0.637532 0.663962 O\n0.441372 0.362468 0.336038 O\n0.174597 0.211983 0.911579 O\n0.825403 0.788017 0.088421 O\n0.104611 0.458381 0.833432 O\n0.895389 0.541619 0.166568 O\n0.259914 0.382735 0.981292 O\n0.740086 0.617265 0.018708 O\n0.139392 0.703906 0.923626 O\n0.860608 0.296094 0.076374 O\n0.096697 0.864154 0.060872 O\n0.903303 0.135846 0.939128 O\n0.119284 0.947508 0.833757 O\n0.880716 0.052492 0.166243 O\n0.983864 0.748708 0.730327 O\n0.016136 0.251292 0.269673 O\n0.936349 0.592979 0.616252 O\n0.063651 0.407021 0.383748 O\n0.773446 0.814221 0.636214 O\n0.226554 0.185779 0.363786 O\n0.573722 0.268740 0.864993 O\n0.426278 0.731260 0.135007 O\n0.439884 0.215329 0.133640 O\n0.560116 0.784671 0.866360 O\n0.500000 0.500000 0.000000 O\n","nsites":71,"nelements":4,"elements":["Ba","Al","B","O"],"chemical_system":"Al-B-Ba-O","density":3.7184683237829623,"density_atomic":0.07380735756486305,"volume":961.963716660688,"volume_molar":8.159268884145662,"formula_full":"Ba8 Al10 B12 O41","formula_reduced":"Ba8Al10B12O41","formula_anonymous":"A8B10C12D41","energy":-566.4319305800001,"energy_per_atom":-7.9779145152112685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-538.26493058,"band_gap":4.3919,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001419,"is_theoretical":false,"updated_at":"2021-11-28T01:35:34.851000Z","spacegroup":2},{"id":"mp-1189874","created_at":"2022-09-04T14:41:56.322025Z","structure_string":"Sm10 Sn6\n1.0\n4.591313 -7.952387 0.000000\n4.591313 7.952387 0.000000\n0.000000 0.000000 6.746131\nSm Sn\n10 6\ndirect\n0.666667 0.333333 0.000000 Sm\n0.333333 0.666667 0.000000 Sm\n0.333333 0.666667 0.500000 Sm\n0.666667 0.333333 0.500000 Sm\n0.759344 0.759344 0.750000 Sm\n0.240656 0.000000 0.750000 Sm\n0.000000 0.240656 0.750000 Sm\n0.240656 0.240656 0.250000 Sm\n0.759344 0.000000 0.250000 Sm\n0.000000 0.759344 0.250000 Sm\n0.394320 0.394320 0.750000 Sn\n0.605680 0.000000 0.750000 Sn\n0.000000 0.605680 0.750000 Sn\n0.605680 0.605680 0.250000 Sn\n0.394320 0.000000 0.250000 Sn\n0.000000 0.394320 0.250000 Sn\n","nsites":16,"nelements":2,"elements":["Sm","Sn"],"chemical_system":"Sm-Sn","density":7.469168243063656,"density_atomic":0.03247886240856046,"volume":492.6280914254828,"volume_molar":18.541723180590044,"formula_full":"Sm10 Sn6","formula_reduced":"Sm5Sn3","formula_anonymous":"A3B5","energy":-82.57136509,"energy_per_atom":-5.160710318125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-82.57136509,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0131084,"is_theoretical":false,"updated_at":"2021-11-28T01:35:33.602000Z","spacegroup":193}]}