{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=67","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-formation_energy_per_atom&page=65","results":[{"id":"mp-1519318","created_at":"2022-09-04T14:41:46.124775Z","structure_string":"K1 Gd1 Hf2 O6\n1.0\n0.000000 -4.112506 -4.112506\n4.112506 0.000000 -4.112506\n4.112506 -4.112506 0.000000\nK Gd Hf O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":10,"nelements":4,"elements":["K","Gd","Hf","O"],"chemical_system":"Gd-Hf-K-O","density":7.7510652272310265,"density_atomic":0.07188700176422913,"volume":139.10720651276327,"volume_molar":8.377231783502491,"formula_full":"K1 Gd1 Hf2 O6","formula_reduced":"KGdHf2O6","formula_anonymous":"ABC2D6","energy":-99.76038828,"energy_per_atom":-9.976038828,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-95.63838828,"band_gap":0.6848000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0000002,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.828000Z","spacegroup":225},{"id":"mp-571379","created_at":"2022-09-04T14:41:46.130341Z","structure_string":"In4 Ga8 Cl28\n1.0\n9.380463 0.000000 0.000000\n0.000000 10.963133 0.000000\n0.000000 0.000000 12.413150\nIn Ga Cl\n4 8 28\ndirect\n0.638966 0.376028 0.887899 In\n0.138966 0.876028 0.612101 In\n0.861034 0.376028 0.387899 In\n0.361034 0.876028 0.112101 In\n0.617286 0.742484 0.616349 Ga\n0.933408 0.999503 0.323693 Ga\n0.382714 0.242484 0.383651 Ga\n0.433408 0.499503 0.176307 Ga\n0.882714 0.742484 0.116349 Ga\n0.566592 0.999503 0.823693 Ga\n0.066592 0.499503 0.676307 Ga\n0.117286 0.242484 0.883651 Ga\n0.231935 0.369797 0.757301 Cl\n0.795498 0.691057 0.514230 Cl\n0.873696 0.388548 0.658397 Cl\n0.546903 0.155345 0.716365 Cl\n0.977622 0.596043 0.209334 Cl\n0.461036 0.857914 0.534501 Cl\n0.204502 0.191057 0.485770 Cl\n0.704502 0.691057 0.014230 Cl\n0.126304 0.888548 0.341603 Cl\n0.477622 0.096043 0.290666 Cl\n0.522378 0.596043 0.709334 Cl\n0.731935 0.869797 0.742699 Cl\n0.453097 0.655345 0.283635 Cl\n0.046903 0.655345 0.783635 Cl\n0.658937 0.050590 0.977742 Cl\n0.158937 0.550590 0.522258 Cl\n0.373696 0.888548 0.841603 Cl\n0.295498 0.191057 0.985770 Cl\n0.538964 0.357914 0.465499 Cl\n0.626304 0.388548 0.158397 Cl\n0.961036 0.357914 0.965499 Cl\n0.268065 0.369797 0.257301 Cl\n0.038964 0.857914 0.034501 Cl\n0.768065 0.869797 0.242699 Cl\n0.341063 0.550590 0.022258 Cl\n0.953097 0.155345 0.216365 Cl\n0.841063 0.050590 0.477742 Cl\n0.022378 0.096043 0.790666 Cl\n","nsites":40,"nelements":3,"elements":["In","Ga","Cl"],"chemical_system":"Cl-Ga-In","density":2.6142553944630262,"density_atomic":0.03133423024567607,"volume":1276.5592033498176,"volume_molar":19.219048027615163,"formula_full":"In4 Ga8 Cl28","formula_reduced":"InGa2Cl7","formula_anonymous":"AB2C7","energy":-147.79167018,"energy_per_atom":-3.6947917545,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.59967018,"band_gap":3.788,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0072276,"is_theoretical":false,"updated_at":"2021-11-28T01:35:23.272000Z","spacegroup":33},{"id":"mp-18487","created_at":"2022-09-04T14:41:46.130835Z","structure_string":"K4 V4 Te4 O20\n1.0\n11.894663 0.000000 0.000000\n0.000000 6.546553 0.000000\n0.000000 2.065514 6.765617\nK V Te O\n4 4 4 20\ndirect\n0.312390 0.177605 0.836431 K\n0.812390 0.822395 0.663569 K\n0.687610 0.822395 0.163569 K\n0.187610 0.177605 0.336431 K\n0.121443 0.651449 0.594032 V\n0.621443 0.348551 0.905968 V\n0.878557 0.348551 0.405968 V\n0.378557 0.651449 0.094032 V\n0.946331 0.236292 0.898114 Te\n0.446331 0.763708 0.601886 Te\n0.053669 0.763708 0.101886 Te\n0.553669 0.236292 0.398114 Te\n0.089725 0.114124 0.987686 O\n0.589725 0.885876 0.512314 O\n0.910275 0.885876 0.012314 O\n0.410275 0.114124 0.487686 O\n0.016922 0.533508 0.780544 O\n0.516922 0.466492 0.719456 O\n0.983078 0.466492 0.219456 O\n0.483078 0.533508 0.280544 O\n0.200945 0.823697 0.669055 O\n0.700945 0.176303 0.830945 O\n0.799055 0.176303 0.330945 O\n0.299055 0.823697 0.169055 O\n0.449631 0.807318 0.862781 O\n0.949631 0.192682 0.637219 O\n0.550369 0.192682 0.137219 O\n0.050369 0.807318 0.362781 O\n0.297956 0.465899 0.048285 O\n0.797956 0.534101 0.451715 O\n0.702044 0.534101 0.951715 O\n0.202044 0.465899 0.548285 O\n","nsites":32,"nelements":4,"elements":["K","V","Te","O"],"chemical_system":"K-O-Te-V","density":3.7525239803990957,"density_atomic":0.060740412806610744,"volume":526.8321126147705,"volume_molar":9.914553559544748,"formula_full":"K4 V4 Te4 O20","formula_reduced":"KVTeO5","formula_anonymous":"ABCD5","energy":-218.85483569,"energy_per_atom":-6.8392136153125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-198.31483569,"band_gap":3.3433,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013984,"is_theoretical":false,"updated_at":"2021-11-28T01:35:20.486000Z","spacegroup":14},{"id":"mp-867841","created_at":"2022-09-04T14:41:46.257344Z","structure_string":"Ga1 Tc1\n1.0\n1.448388 -2.508682 0.000000\n1.448388 2.508682 0.000000\n0.000000 0.000000 4.090915\nGa Tc\n1 1\ndirect\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.000000 Tc\n","nsites":2,"nelements":2,"elements":["Ga","Tc"],"chemical_system":"Ga-Tc","density":9.368298842975983,"density_atomic":0.06727427285899142,"volume":29.729046706934326,"volume_molar":8.95162519648865,"formula_full":"Ga1 Tc1","formula_reduced":"GaTc","formula_anonymous":"AB","energy":-13.57497241,"energy_per_atom":-6.787486205,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.57497241,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005343,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.431000Z","spacegroup":187},{"id":"mp-567368","created_at":"2022-09-04T14:41:46.118519Z","structure_string":"Zr24 V16 Ga32\n1.0\n5.426327 0.000000 0.000000\n0.000000 13.728574 0.000000\n0.000000 0.000000 16.931019\nZr V Ga\n24 16 32\ndirect\n0.750000 0.813081 0.710108 Zr\n0.750000 0.469730 0.066040 Zr\n0.750000 0.230725 0.059150 Zr\n0.250000 0.969730 0.433960 Zr\n0.250000 0.145969 0.965468 Zr\n0.250000 0.354031 0.465468 Zr\n0.250000 0.530270 0.933960 Zr\n0.750000 0.645969 0.534532 Zr\n0.250000 0.972564 0.673461 Zr\n0.250000 0.769275 0.940850 Zr\n0.750000 0.027436 0.326539 Zr\n0.750000 0.472564 0.826539 Zr\n0.250000 0.527436 0.173461 Zr\n0.750000 0.320080 0.348984 Zr\n0.250000 0.730725 0.440850 Zr\n0.250000 0.679920 0.651016 Zr\n0.750000 0.854031 0.034532 Zr\n0.750000 0.269275 0.559150 Zr\n0.750000 0.179920 0.848984 Zr\n0.250000 0.820080 0.151016 Zr\n0.250000 0.186919 0.289892 Zr\n0.250000 0.313081 0.789892 Zr\n0.750000 0.030270 0.566040 Zr\n0.750000 0.686919 0.210108 Zr\n0.990830 0.040704 0.129855 V\n0.983323 0.161669 0.687725 V\n0.483323 0.661669 0.812275 V\n0.983323 0.338331 0.187725 V\n0.990830 0.459296 0.629855 V\n0.016677 0.838331 0.312275 V\n0.516677 0.338331 0.187725 V\n0.009170 0.959296 0.870145 V\n0.490830 0.540704 0.370145 V\n0.016677 0.661669 0.812275 V\n0.009170 0.540704 0.370145 V\n0.516677 0.161669 0.687725 V\n0.509170 0.040704 0.129855 V\n0.483323 0.838331 0.312275 V\n0.509170 0.459296 0.629855 V\n0.490830 0.959296 0.870145 V\n0.250000 0.551121 0.515564 Ga\n0.750000 0.175950 0.219242 Ga\n0.006877 0.659947 0.066486 Ga\n0.750000 0.324050 0.719242 Ga\n0.250000 0.392481 0.307225 Ga\n0.250000 0.107519 0.807225 Ga\n0.750000 0.488948 0.241442 Ga\n0.250000 0.988948 0.258558 Ga\n0.993123 0.159947 0.433514 Ga\n0.250000 0.375195 0.060463 Ga\n0.493123 0.840053 0.566486 Ga\n0.250000 0.301183 0.623441 Ga\n0.250000 0.198817 0.123441 Ga\n0.750000 0.624805 0.939537 Ga\n0.506877 0.159947 0.433514 Ga\n0.250000 0.511052 0.758558 Ga\n0.750000 0.875195 0.439537 Ga\n0.250000 0.675950 0.280758 Ga\n0.506877 0.340053 0.933514 Ga\n0.750000 0.801183 0.876559 Ga\n0.493123 0.659947 0.066486 Ga\n0.250000 0.824050 0.780758 Ga\n0.750000 0.448879 0.484436 Ga\n0.750000 0.011052 0.741442 Ga\n0.006877 0.840053 0.566486 Ga\n0.250000 0.948879 0.015564 Ga\n0.750000 0.051121 0.984436 Ga\n0.750000 0.698817 0.376559 Ga\n0.750000 0.892481 0.192775 Ga\n0.993123 0.340053 0.933514 Ga\n0.750000 0.607519 0.692775 Ga\n0.250000 0.124805 0.560463 Ga\n","nsites":72,"nelements":3,"elements":["Zr","V","Ga"],"chemical_system":"Ga-V-Zr","density":6.892853974628563,"density_atomic":0.05708447467696421,"volume":1261.2886499777983,"volume_molar":10.549524707162044,"formula_full":"Zr24 V16 Ga32","formula_reduced":"Zr3(VGa2)2","formula_anonymous":"A2B3C4","energy":-480.97983065,"energy_per_atom":-6.680275425694444,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-480.97983065,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2711673,"is_theoretical":false,"updated_at":"2021-11-28T01:35:22.296000Z","spacegroup":62},{"id":"mp-1214671","created_at":"2022-09-04T14:41:46.334980Z","structure_string":"Ba6 Ca2 Cu2 Si12 O34\n1.0\n3.590764 -7.300817 0.000000\n3.590764 7.300817 0.000000\n0.000000 0.000000 16.297080\nBa Ca Cu Si O\n6 2 2 12 34\ndirect\n0.985610 0.496420 0.613612 Ba\n0.503580 0.014390 0.386388 Ba\n0.503580 0.014390 0.113612 Ba\n0.985610 0.496420 0.886388 Ba\n0.021426 0.039554 0.250000 Ba\n0.960446 0.978574 0.750000 Ba\n0.999437 0.000563 0.000000 Ca\n0.999437 0.000563 0.500000 Ca\n0.522507 0.477493 0.000000 Cu\n0.522507 0.477493 0.500000 Cu\n0.654990 0.418907 0.250000 Si\n0.581093 0.345010 0.750000 Si\n0.432641 0.607714 0.250000 Si\n0.392286 0.567359 0.750000 Si\n0.134616 0.395131 0.089885 Si\n0.604869 0.865384 0.910115 Si\n0.604869 0.865384 0.589885 Si\n0.134616 0.395131 0.410115 Si\n0.939887 0.626315 0.094733 Si\n0.373685 0.060113 0.905267 Si\n0.373685 0.060113 0.594733 Si\n0.939887 0.626315 0.405267 Si\n0.234389 0.375003 0.007219 O\n0.624997 0.765611 0.992781 O\n0.624997 0.765611 0.507219 O\n0.234389 0.375003 0.492781 O\n0.293531 0.468945 0.169753 O\n0.531055 0.706469 0.830247 O\n0.531055 0.706469 0.669753 O\n0.293531 0.468945 0.330247 O\n0.114607 0.585327 0.075041 O\n0.414673 0.885393 0.924959 O\n0.414673 0.885393 0.575041 O\n0.114607 0.585327 0.424959 O\n0.516046 0.842642 0.250000 O\n0.157358 0.483954 0.750000 O\n0.810967 0.575707 0.010007 O\n0.424293 0.189033 0.989993 O\n0.424293 0.189033 0.510007 O\n0.810967 0.575707 0.489993 O\n0.638694 0.611589 0.250000 O\n0.388411 0.361306 0.750000 O\n0.065481 0.865624 0.120872 O\n0.134376 0.934519 0.879128 O\n0.134376 0.934519 0.620872 O\n0.065481 0.865624 0.379128 O\n0.790088 0.453541 0.167331 O\n0.546459 0.209912 0.832669 O\n0.546459 0.209912 0.667331 O\n0.790088 0.453541 0.332669 O\n0.443069 0.188423 0.250000 O\n0.811577 0.556931 0.750000 O\n0.918837 0.170562 0.108672 O\n0.829438 0.081163 0.891328 O\n0.829438 0.081163 0.608672 O\n0.918837 0.170562 0.391328 O\n","nsites":56,"nelements":5,"elements":["Ba","Ca","Cu","Si","O"],"chemical_system":"Ba-Ca-Cu-O-Si","density":3.716103797604245,"density_atomic":0.06553750574558177,"volume":854.4725552631404,"volume_molar":9.188846434556268,"formula_full":"Ba6 Ca2 Cu2 Si12 O34","formula_reduced":"Ba3CaCuSi6O17","formula_anonymous":"ABC3D6E17","energy":-436.25636888,"energy_per_atom":-7.790292301428572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-412.89836888,"band_gap":1.1382000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0009614,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.889000Z","spacegroup":40},{"id":"mp-1520853","created_at":"2022-09-04T14:41:46.536575Z","structure_string":"Sr1 Eu1 Al1 Bi1 O6\n1.0\n-0.000000 -4.064766 -4.064766\n4.064766 -0.000000 -4.064766\n4.064766 -4.064766 0.000000\nSr Eu Al Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n-0.000000 -0.000000 -0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.763557 0.236443 0.236443 O\n0.236443 0.763557 0.763557 O\n0.763557 0.236443 0.763557 O\n0.236443 0.763557 0.236443 O\n0.763557 0.763557 0.236443 O\n0.236443 0.236443 0.763557 O\n","nsites":10,"nelements":5,"elements":["Sr","Eu","Al","Bi","O"],"chemical_system":"Al-Bi-Eu-O-Sr","density":7.065792210011454,"density_atomic":0.07444976935310675,"volume":134.3187505735732,"volume_molar":8.088864226613886,"formula_full":"Sr1 Eu1 Al1 Bi1 O6","formula_reduced":"SrEuAlBiO6","formula_anonymous":"ABCDE6","energy":-75.69068037,"energy_per_atom":-7.569068036999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-71.56868037,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.7448447,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.331000Z","spacegroup":216},{"id":"mp-1215570","created_at":"2022-09-04T14:41:46.571298Z","structure_string":"Zr3 Sn4 Sb2\n1.0\n4.834528 2.793849 0.000000\n-4.834528 2.793849 0.000000\n0.000000 0.066403 7.694752\nZr Sn Sb\n3 4 2\ndirect\n0.502264 0.004216 0.163408 Zr\n0.995784 0.497736 0.836592 Zr\n0.502037 0.497963 0.500000 Zr\n0.832946 0.167054 0.500000 Sn\n0.167370 0.336204 0.168949 Sn\n0.663796 0.832630 0.831051 Sn\n0.170033 0.829967 0.500000 Sn\n0.832869 0.667100 0.167437 Sb\n0.332900 0.167131 0.832563 Sb\n","nsites":9,"nelements":3,"elements":["Zr","Sn","Sb"],"chemical_system":"Sb-Sn-Zr","density":7.924888237671013,"density_atomic":0.043297306177536875,"volume":207.8651259063618,"volume_molar":13.908811636702593,"formula_full":"Zr3 Sn4 Sb2","formula_reduced":"Zr3(Sn2Sb)2","formula_anonymous":"A2B3C4","energy":-54.54978221,"energy_per_atom":-6.061086912222222,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-54.16578221,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.74e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:24.597000Z","spacegroup":5},{"id":"mp-21023","created_at":"2022-09-04T14:41:46.575813Z","structure_string":"Ti6 Sn2 C4\n1.0\n1.575139 -2.728220 0.000000\n1.575139 2.728220 0.000000\n0.000000 0.000000 18.732690\nTi Sn C\n6 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.123772 Ti\n0.333333 0.666667 0.376228 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.623772 Ti\n0.666667 0.333333 0.876228 Ti\n0.000000 0.000000 0.250000 Sn\n0.000000 0.000000 0.750000 Sn\n0.333333 0.666667 0.931726 C\n0.666667 0.333333 0.068274 C\n0.666667 0.333333 0.431726 C\n0.333333 0.666667 0.568274 C\n","nsites":12,"nelements":3,"elements":["Ti","Sn","C"],"chemical_system":"C-Sn-Ti","density":5.906377102492488,"density_atomic":0.07453372577845037,"volume":161.0009411802343,"volume_molar":8.079752752332094,"formula_full":"Ti6 Sn2 C4","formula_reduced":"Ti3SnC2","formula_anonymous":"AB2C3","energy":-101.68376995,"energy_per_atom":-8.473647495833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.68376995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001606,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.883000Z","spacegroup":194},{"id":"mp-1034594","created_at":"2022-09-04T14:41:46.653009Z","structure_string":"Na1 Mg14 Cr1 O16\n1.0\n8.557380 0.000000 0.000000\n0.000000 8.557380 0.000000\n0.000000 0.000000 4.272110\nNa Mg Cr O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.244994 0.500000 Mg\n0.000000 0.755006 0.500000 Mg\n0.500000 0.245296 0.500000 Mg\n0.500000 0.754704 0.500000 Mg\n0.244994 0.000000 0.500000 Mg\n0.245296 0.500000 0.500000 Mg\n0.755006 0.000000 0.500000 Mg\n0.754704 0.500000 0.500000 Mg\n0.244850 0.244850 0.000000 Mg\n0.244850 0.755150 0.000000 Mg\n0.755150 0.244850 0.000000 Mg\n0.755150 0.755150 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.266480 0.000000 0.000000 O\n0.261908 0.500000 0.000000 O\n0.733520 0.000000 0.000000 O\n0.738092 0.500000 0.000000 O\n0.252061 0.252061 0.500000 O\n0.252061 0.747939 0.500000 O\n0.747939 0.252061 0.500000 O\n0.747939 0.747939 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 0.266480 0.000000 O\n0.000000 0.733520 0.000000 O\n0.500000 0.261908 0.000000 O\n0.500000 0.738092 0.000000 O\n","nsites":32,"nelements":4,"elements":["Na","Mg","Cr","O"],"chemical_system":"Cr-Mg-Na-O","density":3.562926967865104,"density_atomic":0.10228828950549387,"volume":312.84128569068787,"volume_molar":5.887419556152176,"formula_full":"Na1 Mg14 Cr1 O16","formula_reduced":"NaMg14CrO16","formula_anonymous":"ABC14D16","energy":-205.6287147,"energy_per_atom":-6.425897334375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-192.6377147,"band_gap":1.6576,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":3.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:42.484000Z","spacegroup":123},{"id":"mp-1360010","created_at":"2022-09-04T14:41:46.654599Z","structure_string":"Ni7 P6 O24\n1.0\n7.120112 5.133518 0.000000\n-7.120112 5.133518 0.000000\n0.000000 1.863772 6.301138\nNi P O\n7 6 24\ndirect\n0.993689 0.356250 0.193418 Ni\n0.000000 0.000000 0.000000 Ni\n0.356250 0.993689 0.193418 Ni\n0.643750 0.006311 0.806582 Ni\n0.324595 0.675405 0.000000 Ni\n0.675405 0.324595 0.000000 Ni\n0.006311 0.643750 0.806582 Ni\n0.276040 0.905814 0.705009 P\n0.094186 0.723960 0.294991 P\n0.667942 0.667942 0.075000 P\n0.723960 0.094186 0.294991 P\n0.905814 0.276040 0.705009 P\n0.332058 0.332058 0.925000 P\n0.749210 0.569028 0.941341 O\n0.350161 0.022884 0.490575 O\n0.607961 0.038754 0.134002 O\n0.903630 0.108675 0.210847 O\n0.569028 0.749210 0.941341 O\n0.738572 0.271236 0.288648 O\n0.249518 0.716472 0.718281 O\n0.977116 0.649839 0.509425 O\n0.038754 0.607961 0.134002 O\n0.271236 0.738572 0.288648 O\n0.022884 0.350161 0.490575 O\n0.445983 0.445983 0.736384 O\n0.384203 0.947561 0.872474 O\n0.800831 0.800831 0.135497 O\n0.096370 0.891325 0.789153 O\n0.199169 0.199169 0.864503 O\n0.241254 0.422040 0.069592 O\n0.891325 0.096370 0.789153 O\n0.108675 0.903630 0.210847 O\n0.947561 0.384203 0.872474 O\n0.649839 0.977116 0.509425 O\n0.716472 0.249518 0.718281 O\n0.554017 0.554017 0.263616 O\n0.422040 0.241254 0.069592 O\n","nsites":37,"nelements":3,"elements":["Ni","P","O"],"chemical_system":"Ni-O-P","density":3.5353009343767043,"density_atomic":0.08032501640969669,"volume":460.6286018204091,"volume_molar":7.497216968228367,"formula_full":"Ni7 P6 O24","formula_reduced":"Ni7(PO4)6","formula_anonymous":"A6B7C24","energy":-260.13340451,"energy_per_atom":-7.030632554324324,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-225.85840451,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.2231687,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.053000Z","spacegroup":8},{"id":"mp-863384","created_at":"2022-09-04T14:41:36.068085Z","structure_string":"Li8 V4 F20\n1.0\n6.165335 0.000000 0.000000\n0.000000 6.324205 0.000000\n0.000000 0.000000 9.123662\nLi V F\n8 4 20\ndirect\n0.048379 0.472392 0.668759 Li\n0.048379 0.027608 0.668759 Li\n0.548379 0.527608 0.831241 Li\n0.548379 0.972392 0.831241 Li\n0.451621 0.472392 0.168759 Li\n0.451621 0.027608 0.168759 Li\n0.951621 0.527608 0.331241 Li\n0.951621 0.972392 0.331241 Li\n0.564404 0.250000 0.516302 V\n0.064404 0.750000 0.983698 V\n0.935596 0.250000 0.016302 V\n0.435596 0.750000 0.483698 V\n0.891894 0.250000 0.550822 F\n0.326478 0.035521 0.565726 F\n0.326478 0.464479 0.565726 F\n0.578455 0.750000 0.681277 F\n0.583553 0.250000 0.737027 F\n0.083553 0.750000 0.762973 F\n0.078455 0.250000 0.818723 F\n0.826478 0.964479 0.934274 F\n0.826478 0.535521 0.934274 F\n0.391894 0.750000 0.949178 F\n0.608106 0.250000 0.050822 F\n0.173522 0.035521 0.065726 F\n0.173522 0.464479 0.065726 F\n0.921545 0.750000 0.181277 F\n0.916447 0.250000 0.237027 F\n0.416447 0.750000 0.262973 F\n0.421545 0.250000 0.318723 F\n0.673522 0.964479 0.434274 F\n0.673522 0.535521 0.434274 F\n0.108106 0.750000 0.449178 F\n","nsites":32,"nelements":3,"elements":["Li","V","F"],"chemical_system":"F-Li-V","density":2.9839821694308353,"density_atomic":0.08995352193889707,"volume":355.73926746010807,"volume_molar":6.694724820325183,"formula_full":"Li8 V4 F20","formula_reduced":"Li2VF5","formula_anonymous":"AB2C5","energy":-190.57470283,"energy_per_atom":-5.9554594634375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-174.53470283,"band_gap":3.0374,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0004137,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.297000Z","spacegroup":62}]}