{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12137","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12135","results":[{"id":"mp-1235155","created_at":"2022-09-04T14:47:56.992908Z","structure_string":"Li1 Cu2 Rh4 O8\n1.0\n5.471385 -0.256515 -2.987560\n-3.479835 5.172518 -0.297993\n-0.167435 0.248834 6.273076\nLi Cu Rh O\n1 2 4 8\ndirect\n0.130059 0.565029 0.065029 Li\n0.960110 0.980070 0.980053 Cu\n0.665646 0.832817 0.332825 Cu\n0.698131 0.349027 0.100181 Rh\n0.698107 0.349112 0.597924 Rh\n0.211829 0.357546 0.606015 Rh\n0.211795 0.854242 0.605774 Rh\n0.175070 0.587403 0.374998 O\n0.737950 0.155948 0.369063 O\n0.685559 0.122107 0.842749 O\n0.737953 0.582006 0.368894 O\n0.175056 0.587673 0.800076 O\n0.228161 0.113925 0.836282 O\n0.228158 0.114211 0.391877 O\n0.685583 0.563465 0.842845 O\n","nsites":15,"nelements":4,"elements":["Li","Cu","Rh","O"],"chemical_system":"Cu-Li-O-Rh","density":6.491308128588331,"density_atomic":0.08704422105211353,"volume":172.32620177070083,"volume_molar":6.918484291328812,"formula_full":"Li1 Cu2 Rh4 O8","formula_reduced":"LiCu2(RhO2)4","formula_anonymous":"AB2C4D8","energy":-95.13585218,"energy_per_atom":-6.342390145333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-89.63985218,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002093,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.387000Z","spacegroup":44},{"id":"mp-1028226","created_at":"2022-09-04T14:47:57.019783Z","structure_string":"Mg14 Al1 W1\n1.0\n6.220397 0.047797 0.000000\n-3.068805 5.315326 0.000000\n0.000000 0.000000 10.139118\nMg Al W\n14 1 1\ndirect\n0.168395 0.334197 0.625000 Mg\n0.166652 0.833326 0.625000 Mg\n0.667527 0.333474 0.125000 Mg\n0.664156 0.333316 0.625000 Mg\n0.667527 0.834051 0.125000 Mg\n0.664156 0.830840 0.625000 Mg\n0.328365 0.159589 0.362309 Mg\n0.328365 0.159589 0.887691 Mg\n0.328365 0.668778 0.362309 Mg\n0.328365 0.668778 0.887691 Mg\n0.837029 0.168515 0.375050 Mg\n0.837029 0.168515 0.874950 Mg\n0.844680 0.672340 0.366622 Mg\n0.844680 0.672340 0.883378 Mg\n0.162209 0.331104 0.125000 Al\n0.162498 0.831248 0.125000 W\n","nsites":16,"nelements":3,"elements":["Mg","Al","W"],"chemical_system":"Al-Mg-W","density":2.7177046021521103,"density_atomic":0.047517041413462725,"volume":336.7213009071481,"volume_molar":12.67364419345726,"formula_full":"Mg14 Al1 W1","formula_reduced":"Mg14AlW","formula_anonymous":"ABC14","energy":-36.95441528,"energy_per_atom":-2.309650955,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-36.95441528,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.1054929,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.493000Z","spacegroup":38},{"id":"mp-726838","created_at":"2022-09-04T14:47:57.027126Z","structure_string":"K1 Ni1 H9 C2 O10\n1.0\n5.343457 0.000000 0.000000\n-2.051967 -6.362314 0.000000\n0.020119 3.241904 -6.198054\nK Ni H C O\n1 1 9 2 10\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ni\n0.354713 0.001984 0.871717 H\n0.645287 0.998016 0.128283 H\n0.415423 0.408867 0.752139 H\n0.584577 0.591133 0.247861 H\n0.004465 0.177813 0.582732 H\n0.995536 0.822187 0.417268 H\n0.196228 0.004715 0.601004 H\n0.803772 0.995285 0.398996 H\n0.000000 0.500000 0.000000 H\n0.629571 0.718619 0.795248 C\n0.370429 0.281381 0.204752 C\n0.459867 0.250247 0.767721 O\n0.540133 0.749753 0.232279 O\n0.134012 0.250051 0.509282 O\n0.865988 0.749949 0.490718 O\n0.716813 0.033738 0.704056 O\n0.283187 0.966262 0.295944 O\n0.393140 0.660520 0.749914 O\n0.606860 0.339480 0.250086 O\n0.800021 0.436578 0.945489 O\n0.199979 0.563422 0.054511 O\n","nsites":23,"nelements":5,"elements":["K","Ni","H","C","O"],"chemical_system":"C-H-K-Ni-O","density":2.2922819538172154,"density_atomic":0.10915284564875084,"volume":210.7137002548977,"volume_molar":5.5171633173714865,"formula_full":"K1 Ni1 H9 C2 O10","formula_reduced":"KNiH9(CO5)2","formula_anonymous":"ABC2D9E10","energy":-95.49632245,"energy_per_atom":-4.152014019565217,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.08532245,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.8297011,"is_theoretical":true,"updated_at":"2021-11-28T01:38:16.562000Z","spacegroup":2},{"id":"mp-17539","created_at":"2022-09-04T14:47:57.034558Z","structure_string":"K4 As4 O4 F16\n1.0\n5.949459 0.000000 0.000000\n0.000000 5.402482 0.000000\n0.000000 4.832346 13.671174\nK As O F\n4 4 4 16\ndirect\n0.631158 0.642808 0.852391 K\n0.131158 0.357192 0.647609 K\n0.368842 0.357192 0.147609 K\n0.868842 0.642808 0.352391 K\n0.117848 0.027273 0.916948 As\n0.617848 0.972727 0.583052 As\n0.882152 0.972727 0.083052 As\n0.382152 0.027273 0.416948 As\n0.618762 0.832332 0.484512 O\n0.118762 0.167668 0.015488 O\n0.381238 0.167668 0.515488 O\n0.881238 0.832332 0.984512 O\n0.175342 0.778351 0.474215 F\n0.675342 0.221649 0.025785 F\n0.824658 0.221649 0.525785 F\n0.324658 0.778351 0.974215 F\n0.935573 0.280001 0.838577 F\n0.435573 0.719999 0.661423 F\n0.064427 0.719999 0.161423 F\n0.564427 0.280001 0.338577 F\n0.097623 0.877529 0.823573 F\n0.597623 0.122471 0.676427 F\n0.902377 0.122471 0.176427 F\n0.402377 0.877529 0.323573 F\n0.346312 0.227199 0.853228 F\n0.846312 0.772801 0.646772 F\n0.653688 0.772801 0.146772 F\n0.153688 0.227199 0.353228 F\n","nsites":28,"nelements":4,"elements":["K","As","O","F"],"chemical_system":"As-F-K-O","density":3.1140595695186204,"density_atomic":0.06372082880623595,"volume":439.4167578256581,"volume_molar":9.450819885460517,"formula_full":"K4 As4 O4 F16","formula_reduced":"KAsOF4","formula_anonymous":"ABCD4","energy":-145.85184058,"energy_per_atom":-5.208994306428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.71184058,"band_gap":3.7394,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0043782,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.336000Z","spacegroup":14},{"id":"mp-1043389","created_at":"2022-09-04T14:47:56.993563Z","structure_string":"Ni4 P8 W4 O36\n1.0\n6.434223 0.000000 0.000000\n0.000000 8.033080 0.000000\n0.000000 0.000000 14.046776\nNi P W O\n4 8 4 36\ndirect\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.250000 0.841638 0.943332 P\n0.750000 0.158362 0.056668 P\n0.750000 0.341638 0.556668 P\n0.250000 0.658362 0.443332 P\n0.750000 0.894218 0.682439 P\n0.250000 0.105782 0.317561 P\n0.250000 0.394218 0.817561 P\n0.750000 0.605782 0.182439 P\n0.750000 0.853304 0.875201 W\n0.250000 0.146696 0.124799 W\n0.250000 0.353304 0.624799 W\n0.750000 0.646696 0.375201 W\n0.049368 0.101136 0.372941 O\n0.549368 0.898864 0.627059 O\n0.950632 0.601136 0.127059 O\n0.450632 0.398864 0.872941 O\n0.950632 0.898864 0.627059 O\n0.450632 0.101136 0.372941 O\n0.049368 0.398864 0.872941 O\n0.549368 0.601136 0.127059 O\n0.250000 0.834738 0.481909 O\n0.750000 0.165262 0.518091 O\n0.750000 0.334738 0.018091 O\n0.250000 0.665262 0.981909 O\n0.750000 0.660724 0.942817 O\n0.250000 0.339276 0.057183 O\n0.250000 0.160724 0.557183 O\n0.750000 0.839276 0.442817 O\n0.750000 0.732682 0.754138 O\n0.250000 0.267318 0.245862 O\n0.250000 0.232682 0.745862 O\n0.750000 0.767318 0.254138 O\n0.443334 0.626959 0.379969 O\n0.943334 0.373041 0.620031 O\n0.556666 0.126959 0.120031 O\n0.056666 0.873041 0.879969 O\n0.556666 0.373041 0.620031 O\n0.056666 0.626959 0.379969 O\n0.443334 0.873041 0.879969 O\n0.943334 0.126959 0.120031 O\n0.750000 0.476210 0.269948 O\n0.250000 0.523790 0.730052 O\n0.250000 0.976210 0.230052 O\n0.750000 0.023790 0.769948 O\n0.750000 0.476629 0.477892 O\n0.250000 0.523371 0.522108 O\n0.250000 0.976629 0.022108 O\n0.750000 0.023371 0.977892 O\n","nsites":52,"nelements":4,"elements":["Ni","P","W","O"],"chemical_system":"Ni-O-P-W","density":4.102919319653558,"density_atomic":0.0716223367006771,"volume":726.0304870716178,"volume_molar":8.40818805614739,"formula_full":"Ni4 P8 W4 O36","formula_reduced":"NiP2WO9","formula_anonymous":"ABC2D9","energy":-415.19366514,"energy_per_atom":-7.984493560384616,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-362.54566514,"band_gap":2.2634000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998335,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.756000Z","spacegroup":62},{"id":"mp-1205533","created_at":"2022-09-04T14:47:57.012465Z","structure_string":"Tl2 Sn2 I6\n1.0\n2.324221 -7.600337 0.000000\n2.324221 7.600337 0.000000\n0.000000 0.000000 11.920353\nTl Sn I\n2 2 6\ndirect\n0.245999 0.754001 0.250000 Tl\n0.754001 0.245999 0.750000 Tl\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.639584 0.360416 0.056029 I\n0.360416 0.639584 0.943971 I\n0.360416 0.639584 0.556029 I\n0.639584 0.360416 0.443971 I\n0.921083 0.078917 0.250000 I\n0.078917 0.921083 0.750000 I\n","nsites":10,"nelements":3,"elements":["Tl","Sn","I"],"chemical_system":"I-Sn-Tl","density":5.550129465083955,"density_atomic":0.02374491491173023,"volume":421.1428020346326,"volume_molar":25.36181233913372,"formula_full":"Tl2 Sn2 I6","formula_reduced":"TlSnI3","formula_anonymous":"ABC3","energy":-29.96075997,"energy_per_atom":-2.996075997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.68675997,"band_gap":1.8624,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009101,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.596000Z","spacegroup":63},{"id":"mp-1186085","created_at":"2022-09-04T14:47:57.016798Z","structure_string":"Na3 Ta1\n1.0\n-2.363533 2.363533 5.118676\n2.363533 -2.363533 5.118676\n2.363533 2.363533 -5.118676\nNa Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ta\n","nsites":4,"nelements":2,"elements":["Na","Ta"],"chemical_system":"Na-Ta","density":3.628308867278379,"density_atomic":0.034971883152024374,"volume":114.37759821545261,"volume_molar":17.219949906104514,"formula_full":"Na3 Ta1","formula_reduced":"Na3Ta","formula_anonymous":"AB3","energy":-10.86093238,"energy_per_atom":-2.715233095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-10.86093238,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9558928,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.853000Z","spacegroup":139},{"id":"mp-253","created_at":"2022-09-04T14:47:57.047084Z","structure_string":"Sc2 Co4\n1.0\n0.000000 3.450351 3.450351\n3.450351 0.000000 3.450351\n3.450351 3.450351 0.000000\nSc Co\n2 4\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Sc\n0.625000 0.625000 0.125000 Co\n0.625000 0.125000 0.625000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n","nsites":6,"nelements":2,"elements":["Sc","Co"],"chemical_system":"Co-Sc","density":6.582231541778164,"density_atomic":0.07303506531899732,"volume":82.15231921534718,"volume_molar":8.245547167921224,"formula_full":"Sc2 Co4","formula_reduced":"ScCo2","formula_anonymous":"AB2","energy":-43.21815834,"energy_per_atom":-7.203026390000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.21815834,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.5356598,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.493000Z","spacegroup":227},{"id":"mp-558497","created_at":"2022-09-04T14:47:57.058221Z","structure_string":"Cr4 P12 O36\n1.0\n6.005032 0.000021 2.531728\n-0.641787 13.192346 1.522218\n-6.010844 0.028726 5.869255\nCr P O\n4 12 36\ndirect\n0.757685 0.750224 0.997876 Cr\n0.490319 0.500364 0.497697 Cr\n0.257497 0.250386 0.997798 Cr\n0.990163 0.000418 0.497825 Cr\n0.748027 0.274808 0.672921 P\n0.248060 0.774827 0.672937 P\n0.174891 0.024826 0.172917 P\n0.674866 0.524804 0.172897 P\n0.310616 0.475668 0.820344 P\n0.810607 0.975668 0.820378 P\n0.759755 0.225673 0.320378 P\n0.259769 0.725689 0.320403 P\n0.420041 0.124580 0.738887 P\n0.920043 0.624585 0.738867 P\n0.068847 0.374570 0.238878 P\n0.568846 0.874601 0.238848 P\n0.785694 0.112381 0.333714 O\n0.285755 0.612393 0.333760 O\n0.298009 0.362393 0.833742 O\n0.797993 0.862379 0.833748 O\n0.403626 0.155875 0.899437 O\n0.903605 0.655875 0.899401 O\n0.245813 0.405869 0.399420 O\n0.745780 0.905898 0.399418 O\n0.869462 0.025960 0.675536 O\n0.369494 0.525944 0.675548 O\n0.556044 0.275931 0.175510 O\n0.056041 0.775928 0.175530 O\n0.129948 0.354260 0.090842 O\n0.629973 0.854269 0.090831 O\n0.210870 0.104284 0.590845 O\n0.710876 0.604272 0.590874 O\n0.631864 0.479272 0.328438 O\n0.131880 0.979282 0.328472 O\n0.946566 0.229265 0.828454 O\n0.446571 0.729266 0.828436 O\n0.684122 0.384414 0.665184 O\n0.184126 0.884406 0.665180 O\n0.231066 0.134436 0.165201 O\n0.731049 0.634405 0.165174 O\n0.974017 0.273566 0.300759 O\n0.473979 0.773590 0.300768 O\n0.576759 0.023575 0.800776 O\n0.076769 0.523584 0.800769 O\n0.539178 0.206633 0.653335 O\n0.039200 0.706620 0.653374 O\n0.864147 0.456618 0.153357 O\n0.364195 0.956649 0.153349 O\n0.966106 0.011117 0.000542 O\n0.466142 0.511094 0.000555 O\n0.784422 0.261095 0.500537 O\n0.284431 0.761108 0.500534 O\n","nsites":52,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":2.8839146240304845,"density_atomic":0.07814678119742872,"volume":665.4144828899359,"volume_molar":7.7061916917419335,"formula_full":"Cr4 P12 O36","formula_reduced":"Cr(PO3)3","formula_anonymous":"AB3C9","energy":-416.8242629399999,"energy_per_atom":-8.015851210384614,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-384.09626294,"band_gap":3.2236,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.62e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.553000Z","spacegroup":9},{"id":"mp-1224315","created_at":"2022-09-04T14:47:57.059630Z","structure_string":"In1 Ga1 Co1 S4\n1.0\n1.846584 -3.198378 0.000000\n1.846584 3.198378 0.000000\n0.000000 0.000000 12.311484\nIn Ga Co S\n1 1 1 4\ndirect\n0.000000 0.000000 0.779521 In\n0.666667 0.333333 0.221736 Ga\n0.333333 0.666667 0.490599 Co\n0.666667 0.333333 0.885019 S\n0.000000 0.000000 0.138702 S\n0.666667 0.333333 0.406167 S\n0.000000 0.000000 0.578256 S\n","nsites":7,"nelements":4,"elements":["In","Ga","Co","S"],"chemical_system":"Co-Ga-In-S","density":4.244654556702284,"density_atomic":0.04813475676836549,"volume":145.42506226188,"volume_molar":12.51100278532579,"formula_full":"In1 Ga1 Co1 S4","formula_reduced":"InGaCoS4","formula_anonymous":"ABCD4","energy":-34.65694083,"energy_per_atom":-4.950991547142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.64494083,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.0004074,"is_theoretical":true,"updated_at":"2021-11-28T01:38:23.535000Z","spacegroup":156},{"id":"mp-5473","created_at":"2022-09-04T14:47:57.171427Z","structure_string":"Ca4 Mg4 Si4\n1.0\n4.428212 0.000000 0.000000\n0.000000 7.478383 0.000000\n0.000000 0.000000 8.321763\nCa Mg Si\n4 4 4\ndirect\n0.250000 0.019581 0.179984 Ca\n0.750000 0.980419 0.820016 Ca\n0.250000 0.519581 0.320016 Ca\n0.750000 0.480419 0.679984 Ca\n0.750000 0.856500 0.436910 Mg\n0.250000 0.643500 0.936910 Mg\n0.750000 0.356500 0.063090 Mg\n0.250000 0.143500 0.563090 Mg\n0.250000 0.269916 0.884149 Si\n0.750000 0.230084 0.384149 Si\n0.250000 0.769916 0.615851 Si\n0.750000 0.730084 0.115851 Si\n","nsites":12,"nelements":3,"elements":["Ca","Mg","Si"],"chemical_system":"Ca-Mg-Si","density":2.2286991651481802,"density_atomic":0.043544147754711146,"volume":275.58238290934725,"volume_molar":13.829965840469228,"formula_full":"Ca4 Mg4 Si4","formula_reduced":"CaMgSi","formula_anonymous":"ABC","energy":-41.07679271,"energy_per_atom":-3.4230660591666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.36079271,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004611,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.630000Z","spacegroup":62},{"id":"mp-1207615","created_at":"2022-09-04T14:47:57.199491Z","structure_string":"Y2 Hf2 F14\n1.0\n0.000000 -5.705132 0.000000\n-5.956411 0.000000 1.335272\n-0.088399 0.000000 -8.270489\nY Hf F\n2 2 14\ndirect\n0.697173 0.656273 0.685471 Y\n0.197173 0.343727 0.314529 Y\n0.707600 0.811004 0.223596 Hf\n0.207600 0.188996 0.776404 Hf\n0.888525 0.453109 0.477350 F\n0.388525 0.546891 0.522650 F\n0.426089 0.928020 0.769531 F\n0.926089 0.071980 0.230469 F\n0.946439 0.961353 0.759835 F\n0.446439 0.038647 0.240165 F\n0.995947 0.454662 0.787394 F\n0.495947 0.545338 0.212606 F\n0.703909 0.755611 0.977260 F\n0.203909 0.244389 0.022740 F\n0.710953 0.861377 0.471410 F\n0.210953 0.138623 0.528590 F\n0.499726 0.378070 0.782650 F\n0.999726 0.621930 0.217350 F\n","nsites":18,"nelements":3,"elements":["Y","Hf","F"],"chemical_system":"F-Hf-Y","density":4.719930834096091,"density_atomic":0.06389275326113172,"volume":281.7220902413365,"volume_molar":9.425389347970839,"formula_full":"Y2 Hf2 F14","formula_reduced":"YHfF7","formula_anonymous":"ABC7","energy":-137.14134522999998,"energy_per_atom":-7.618963623888888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-130.67334523,"band_gap":6.7925,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012545,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.067000Z","spacegroup":4}]}