{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=29","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=27","results":[{"id":"mp-740736","created_at":"2022-09-04T14:42:55.938359Z","structure_string":"Na4 P12 H40 N8 O40\n1.0\n11.790016 0.000000 0.000000\n0.000000 6.895120 0.000000\n0.000000 4.117171 13.189613\nNa P H N O\n4 12 40 8 40\ndirect\n0.298434 0.139817 0.282378 Na\n0.201566 0.139817 0.782378 Na\n0.701566 0.860183 0.717622 Na\n0.798434 0.860183 0.217622 Na\n0.039495 0.168900 0.151230 P\n0.460505 0.168900 0.651230 P\n0.960505 0.831100 0.848770 P\n0.539495 0.831100 0.348770 P\n0.168280 0.593075 0.856960 P\n0.331720 0.593075 0.356960 P\n0.831720 0.406925 0.143040 P\n0.668280 0.406925 0.643040 P\n0.244934 0.227297 0.019437 P\n0.255066 0.227297 0.519437 P\n0.755066 0.772703 0.980563 P\n0.744934 0.772703 0.480563 P\n0.132662 0.526900 0.161871 H\n0.367338 0.526900 0.661871 H\n0.867338 0.473100 0.838129 H\n0.632662 0.473100 0.338129 H\n0.159035 0.744545 0.065685 H\n0.340965 0.744545 0.565685 H\n0.840965 0.255455 0.934315 H\n0.659035 0.255455 0.434315 H\n0.198512 0.727473 0.186947 H\n0.301488 0.727473 0.686947 H\n0.801488 0.272527 0.813053 H\n0.698512 0.272527 0.313053 H\n0.562249 0.250455 0.345638 H\n0.937751 0.250455 0.845638 H\n0.437751 0.749545 0.654362 H\n0.062249 0.749545 0.154362 H\n0.106876 0.952349 0.434049 H\n0.393124 0.952349 0.934049 H\n0.893124 0.047651 0.565951 H\n0.606876 0.047651 0.065951 H\n0.542309 0.274603 0.009319 H\n0.957691 0.274603 0.509319 H\n0.457691 0.725397 0.990681 H\n0.042309 0.725397 0.490681 H\n0.985574 0.877661 0.383806 H\n0.514426 0.877661 0.883806 H\n0.014426 0.122339 0.616194 H\n0.485574 0.122339 0.116194 H\n0.612497 0.228020 0.123170 H\n0.887503 0.228020 0.623170 H\n0.387503 0.771980 0.876830 H\n0.112497 0.771980 0.376830 H\n0.943667 0.466086 0.322308 H\n0.556333 0.466086 0.822308 H\n0.056333 0.533914 0.677692 H\n0.443667 0.533914 0.177692 H\n0.053009 0.338945 0.343714 H\n0.446991 0.338945 0.843714 H\n0.946991 0.661055 0.656286 H\n0.553009 0.661055 0.156286 H\n0.138712 0.686264 0.140804 N\n0.361288 0.686264 0.640804 N\n0.861288 0.313736 0.859196 N\n0.638712 0.313736 0.359196 N\n0.561209 0.167340 0.078588 N\n0.938791 0.167340 0.578588 N\n0.438791 0.832660 0.921412 N\n0.061209 0.832660 0.421412 N\n0.490171 0.038189 0.303919 O\n0.009829 0.038189 0.803919 O\n0.509829 0.961811 0.696081 O\n0.990171 0.961811 0.196081 O\n0.606302 0.733952 0.282147 O\n0.893698 0.733952 0.782147 O\n0.393698 0.266048 0.717853 O\n0.106302 0.266048 0.217853 O\n0.940441 0.326131 0.092384 O\n0.559559 0.326131 0.592384 O\n0.059559 0.673869 0.907616 O\n0.440441 0.673869 0.407616 O\n0.613538 0.836001 0.446886 O\n0.886462 0.836001 0.946886 O\n0.386462 0.163999 0.553114 O\n0.113538 0.163999 0.053114 O\n0.756670 0.229282 0.195057 O\n0.743330 0.229282 0.695057 O\n0.243330 0.770718 0.804943 O\n0.256670 0.770718 0.304943 O\n0.869957 0.547270 0.201102 O\n0.630043 0.547270 0.701102 O\n0.130043 0.452730 0.798898 O\n0.369957 0.452730 0.298898 O\n0.268435 0.470792 0.461648 O\n0.231565 0.470792 0.961648 O\n0.731565 0.529208 0.538352 O\n0.768435 0.529208 0.038352 O\n0.725428 0.887014 0.054188 O\n0.774572 0.887014 0.554188 O\n0.274572 0.112986 0.945812 O\n0.225428 0.112986 0.445812 O\n0.319040 0.209240 0.109007 O\n0.180960 0.209240 0.609007 O\n0.680960 0.790760 0.890993 O\n0.819040 0.790760 0.390993 O\n0.500951 0.587859 0.124018 O\n0.999049 0.587859 0.624018 O\n0.499049 0.412141 0.875982 O\n0.000951 0.412141 0.375982 O\n","nsites":104,"nelements":5,"elements":["Na","P","H","N","O"],"chemical_system":"H-N-Na-O-P","density":1.945124903457494,"density_atomic":0.0969940431306861,"volume":1072.2307952445526,"volume_molar":6.208773823239841,"formula_full":"Na4 P12 H40 N8 O40","formula_reduced":"NaP3H10(NO5)2","formula_anonymous":"AB2C3D10E10","energy":-646.73084797,"energy_per_atom":-6.218565845865385,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-616.36284797,"band_gap":4.8011,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":1.77e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.002000Z","spacegroup":14},{"id":"mp-1187908","created_at":"2022-09-04T14:42:56.830056Z","structure_string":"Yb1 As3\n1.0\n4.344590 0.000000 0.000000\n0.000000 4.344590 0.000000\n0.000000 0.000000 4.344590\nYb As\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 As\n","nsites":4,"nelements":2,"elements":["Yb","As"],"chemical_system":"As-Yb","density":8.055133116905921,"density_atomic":0.04877683274541557,"volume":82.00614461536459,"volume_molar":12.34631365146604,"formula_full":"Yb1 As3","formula_reduced":"YbAs3","formula_anonymous":"AB3","energy":-17.14416461,"energy_per_atom":-4.2860411525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.14416461,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004607,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.428000Z","spacegroup":221},{"id":"mp-2481","created_at":"2022-09-04T14:42:55.940115Z","structure_string":"Mg8 Cu4\n1.0\n0.000000 4.523699 9.157884\n2.621599 0.000000 9.157884\n2.621599 4.523699 0.000000\nMg Cu\n8 4\ndirect\n0.083299 0.083299 0.916701 Mg\n0.916701 0.916701 0.083299 Mg\n0.166701 0.166701 0.333299 Mg\n0.333299 0.333299 0.166701 Mg\n0.584242 0.915758 0.584242 Mg\n0.915758 0.584242 0.915758 Mg\n0.665758 0.334242 0.665758 Mg\n0.334242 0.665758 0.334242 Mg\n0.626682 0.626682 0.373318 Cu\n0.373318 0.373318 0.626682 Cu\n0.623318 0.623318 0.876682 Cu\n0.876682 0.876682 0.623318 Cu\n","nsites":12,"nelements":2,"elements":["Mg","Cu"],"chemical_system":"Cu-Mg","density":3.4296239577229657,"density_atomic":0.055245403458789866,"volume":217.21264121007573,"volume_molar":10.900709168487108,"formula_full":"Mg8 Cu4","formula_reduced":"Mg2Cu","formula_anonymous":"AB2","energy":-30.62405648,"energy_per_atom":-2.5520047066666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-30.62405648,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0105068,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.715000Z","spacegroup":70},{"id":"mp-975463","created_at":"2022-09-04T14:42:56.518110Z","structure_string":"Rb1 Ac1 O3\n1.0\n4.636158 0.000000 0.000000\n0.000000 4.636158 0.000000\n0.000000 0.000000 4.636158\nRb Ac O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ac\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Rb","Ac","O"],"chemical_system":"Ac-O-Rb","density":6.006738421990205,"density_atomic":0.05017591714367798,"volume":99.64939924630725,"volume_molar":12.002054178214003,"formula_full":"Rb1 Ac1 O3","formula_reduced":"RbAcO3","formula_anonymous":"ABC3","energy":-31.07947947,"energy_per_atom":-6.215895894,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.01847947,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001921,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.185000Z","spacegroup":221},{"id":"mp-1227232","created_at":"2022-09-04T14:42:55.555047Z","structure_string":"Ca12 Al14 Cl2 O32\n1.0\n-6.063496 6.063496 6.039180\n6.063496 -6.063496 6.039180\n6.063496 6.063496 -6.039180\nCa Al Cl O\n12 14 2 32\ndirect\n0.270329 0.270329 0.000000 Ca\n0.979671 0.479671 0.500000 Ca\n0.520329 0.020329 0.500000 Ca\n0.729671 0.729671 0.000000 Ca\n0.238921 0.875000 0.863921 Ca\n0.011079 0.375000 0.136079 Ca\n0.491018 0.375000 0.616018 Ca\n0.758982 0.875000 0.383982 Ca\n0.125000 0.508982 0.883982 Ca\n0.625000 0.241018 0.116018 Ca\n0.625000 0.761079 0.636079 Ca\n0.125000 0.988921 0.363921 Ca\n0.908990 0.159391 0.784673 Al\n0.374719 0.124317 0.215327 Al\n0.341010 0.625683 0.750402 Al\n0.875281 0.590609 0.249598 Al\n0.374317 0.124719 0.715327 Al\n0.409391 0.658990 0.284673 Al\n0.840609 0.625281 0.749598 Al\n0.875683 0.091010 0.250402 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.499259 0.875000 0.124259 Al\n0.750741 0.375000 0.875741 Al\n0.125000 0.249259 0.624259 Al\n0.625000 0.500741 0.375741 Al\n0.500000 0.500000 0.000000 Cl\n0.750000 0.250000 0.500000 Cl\n0.744633 0.988590 0.622373 O\n0.366217 0.122260 0.377627 O\n0.505367 0.627740 0.743957 O\n0.883783 0.761410 0.256043 O\n0.372260 0.116217 0.877627 O\n0.238590 0.494633 0.122373 O\n0.011410 0.633783 0.756043 O\n0.877740 0.255367 0.243957 O\n0.079434 0.237481 0.768674 O\n0.468807 0.310760 0.231326 O\n0.170566 0.439240 0.658047 O\n0.781193 0.512519 0.341953 O\n0.560760 0.218807 0.731326 O\n0.487481 0.829434 0.268674 O\n0.762519 0.531193 0.841953 O\n0.689240 0.920566 0.158047 O\n0.189566 0.033433 0.044912 O\n0.261480 0.716567 0.656133 O\n0.988520 0.144654 0.955088 O\n0.060434 0.605346 0.343867 O\n0.668267 0.538327 0.566078 O\n0.277751 0.211673 0.629939 O\n0.581733 0.647811 0.370061 O\n0.972249 0.102189 0.433922 O\n0.352189 0.722249 0.933922 O\n0.897811 0.331733 0.870061 O\n0.461673 0.027751 0.129939 O\n0.788327 0.418267 0.066078 O\n0.394654 0.738520 0.455088 O\n0.855346 0.810434 0.843867 O\n0.283433 0.939566 0.544912 O\n0.966567 0.011480 0.156133 O\n","nsites":60,"nelements":4,"elements":["Ca","Al","Cl","O"],"chemical_system":"Al-Ca-Cl-O","density":2.6952494863732777,"density_atomic":0.06755649265587255,"volume":888.1455747804326,"volume_molar":8.914229444498119,"formula_full":"Ca12 Al14 Cl2 O32","formula_reduced":"Ca6Al7ClO16","formula_anonymous":"AB6C7D16","energy":-445.30698179,"energy_per_atom":-7.421783029833334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-422.09498179,"band_gap":3.8007,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.65e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.091000Z","spacegroup":122},{"id":"mp-768883","created_at":"2022-09-04T14:42:56.426999Z","structure_string":"Sn4 S6 O24\n1.0\n7.959350 -4.595216 0.000000\n7.959350 4.595216 0.000000\n5.306369 0.000000 7.503980\nSn S O\n4 6 24\ndirect\n0.859870 0.859870 0.859870 Sn\n0.640130 0.640130 0.640130 Sn\n0.140130 0.140130 0.140130 Sn\n0.359870 0.359870 0.359870 Sn\n0.250000 0.545957 0.954043 S\n0.454043 0.045957 0.750000 S\n0.045957 0.750000 0.454043 S\n0.954043 0.250000 0.545957 S\n0.545957 0.954043 0.250000 S\n0.750000 0.454043 0.045957 S\n0.400386 0.558516 0.780206 O\n0.219794 0.599614 0.441484 O\n0.401958 0.989284 0.193926 O\n0.510716 0.098042 0.306074 O\n0.099614 0.719794 0.941484 O\n0.280206 0.058516 0.900386 O\n0.441484 0.219794 0.599614 O\n0.693926 0.489284 0.901958 O\n0.010716 0.806074 0.598042 O\n0.806074 0.598042 0.010716 O\n0.901958 0.693926 0.489284 O\n0.058516 0.900386 0.280206 O\n0.941484 0.099614 0.719794 O\n0.193926 0.401958 0.989284 O\n0.098042 0.306074 0.510716 O\n0.306074 0.510716 0.098042 O\n0.989284 0.193926 0.401958 O\n0.558516 0.780206 0.400386 O\n0.719794 0.941484 0.099614 O\n0.900386 0.280206 0.058516 O\n0.598042 0.010716 0.806074 O\n0.489284 0.901958 0.693926 O\n0.780206 0.400386 0.558516 O\n0.599614 0.441484 0.219794 O\n","nsites":34,"nelements":3,"elements":["Sn","S","O"],"chemical_system":"O-S-Sn","density":3.1800628120220162,"density_atomic":0.061940359345191175,"volume":548.9151235064579,"volume_molar":9.722482761907866,"formula_full":"Sn4 S6 O24","formula_reduced":"Sn2(SO4)3","formula_anonymous":"A2B3C12","energy":-219.34751949,"energy_per_atom":-6.451397632058823,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-202.85951949,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0011363,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.645000Z","spacegroup":167},{"id":"mp-1212079","created_at":"2022-09-04T14:42:56.431004Z","structure_string":"In1 Ag3 C6 N6\n1.0\n-3.900455 -6.755785 0.000000\n-3.900455 6.755785 0.000000\n0.000000 0.000000 -7.641856\nIn Ag C N\n1 3 6 6\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.755263 0.755263 0.825582 C\n0.244737 0.244737 0.174418 C\n0.000000 0.244737 0.825582 C\n0.000000 0.755263 0.174418 C\n0.244737 0.000000 0.825582 C\n0.755263 0.000000 0.174418 C\n0.646389 0.646389 0.720600 N\n0.353611 0.353611 0.279400 N\n0.000000 0.353611 0.720600 N\n0.000000 0.646389 0.279400 N\n0.353611 0.000000 0.720600 N\n0.646389 0.000000 0.279400 N\n","nsites":16,"nelements":4,"elements":["In","Ag","C","N"],"chemical_system":"Ag-C-In-N","density":2.4513241450867422,"density_atomic":0.03972830584367211,"volume":402.73552219817265,"volume_molar":15.158312523309379,"formula_full":"In1 Ag3 C6 N6","formula_reduced":"InAg3(CN)6","formula_anonymous":"AB3C6D6","energy":-110.40894501,"energy_per_atom":-6.900559063125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-108.24294501,"band_gap":3.9157,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007358,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.431000Z","spacegroup":162},{"id":"mp-12599","created_at":"2022-09-04T14:42:55.953729Z","structure_string":"Pr1 Tl1\n1.0\n3.941542 0.000000 0.000000\n0.000000 3.941542 0.000000\n0.000000 0.000000 3.941542\nPr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Tl\n","nsites":2,"nelements":2,"elements":["Pr","Tl"],"chemical_system":"Pr-Tl","density":9.363448308005962,"density_atomic":0.03266115357456211,"volume":61.234824282436996,"volume_molar":18.43823656213508,"formula_full":"Pr1 Tl1","formula_reduced":"PrTl","formula_anonymous":"AB","energy":-7.93138344,"energy_per_atom":-3.96569172,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.93138344,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0020871,"is_theoretical":false,"updated_at":"2021-11-28T01:35:53.030000Z","spacegroup":221},{"id":"mp-1102049","created_at":"2022-09-04T14:42:56.527743Z","structure_string":"Ta3 Be9\n1.0\n7.104462 -2.282460 0.000000\n7.104462 2.282460 0.000000\n6.371173 0.000000 3.884734\nTa Be\n3 9\ndirect\n0.860092 0.860092 0.860092 Ta\n0.139908 0.139908 0.139908 Ta\n0.000000 0.000000 0.000000 Ta\n0.415627 0.924757 0.415627 Be\n0.415627 0.415627 0.924757 Be\n0.924757 0.415627 0.415627 Be\n0.584373 0.075243 0.584373 Be\n0.584373 0.584373 0.075243 Be\n0.075243 0.584373 0.584373 Be\n0.665400 0.665400 0.665400 Be\n0.334600 0.334600 0.334600 Be\n0.500000 0.500000 0.500000 Be\n","nsites":12,"nelements":2,"elements":["Ta","Be"],"chemical_system":"Be-Ta","density":8.22385633460119,"density_atomic":0.09524794025510522,"volume":125.98697638878137,"volume_molar":6.322594214500316,"formula_full":"Ta3 Be9","formula_reduced":"TaBe3","formula_anonymous":"AB3","energy":-72.09048891,"energy_per_atom":-6.007540742500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.09048891,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008371,"is_theoretical":false,"updated_at":"2021-11-28T01:35:58.598000Z","spacegroup":166},{"id":"mp-24126","created_at":"2022-09-04T14:42:55.649272Z","structure_string":"Sr12 Al8 H48 O48\n1.0\n-6.601776 6.601776 6.601776\n6.601776 -6.601776 6.601776\n6.601776 6.601776 -6.601776\nSr Al H O\n12 8 48 48\ndirect\n0.250000 0.375000 0.125000 Sr\n0.750000 0.125000 0.375000 Sr\n0.375000 0.125000 0.250000 Sr\n0.375000 0.750000 0.125000 Sr\n0.125000 0.375000 0.750000 Sr\n0.125000 0.250000 0.375000 Sr\n0.625000 0.250000 0.875000 Sr\n0.750000 0.625000 0.875000 Sr\n0.250000 0.875000 0.625000 Sr\n0.625000 0.875000 0.750000 Sr\n0.875000 0.625000 0.250000 Sr\n0.875000 0.750000 0.625000 Sr\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.749263 0.808486 0.361285 H\n0.361285 0.749263 0.808486 H\n0.112022 0.059223 0.750737 H\n0.552799 0.691514 0.440777 H\n0.059223 0.808486 0.947201 H\n0.138715 0.947201 0.387978 H\n0.361285 0.112022 0.552799 H\n0.808486 0.361285 0.749263 H\n0.440777 0.387978 0.749263 H\n0.552799 0.361285 0.112022 H\n0.808486 0.947201 0.059223 H\n0.691514 0.750737 0.138715 H\n0.750737 0.138715 0.691514 H\n0.112022 0.552799 0.361285 H\n0.749263 0.440777 0.387978 H\n0.387978 0.749263 0.440777 H\n0.947201 0.059223 0.808486 H\n0.750737 0.112022 0.059223 H\n0.947201 0.387978 0.138715 H\n0.440777 0.552799 0.691514 H\n0.387978 0.138715 0.947201 H\n0.138715 0.691514 0.750737 H\n0.250737 0.191514 0.638715 H\n0.638715 0.250737 0.191514 H\n0.887978 0.940777 0.249263 H\n0.447201 0.308486 0.559223 H\n0.940777 0.191514 0.052799 H\n0.861285 0.052799 0.612022 H\n0.638715 0.887978 0.447201 H\n0.191514 0.638715 0.250737 H\n0.559223 0.612022 0.250737 H\n0.447201 0.638715 0.887978 H\n0.191514 0.052799 0.940777 H\n0.308486 0.249263 0.861285 H\n0.249263 0.861285 0.308486 H\n0.887978 0.447201 0.638715 H\n0.250737 0.559223 0.612022 H\n0.612022 0.250737 0.559223 H\n0.052799 0.940777 0.191514 H\n0.249263 0.887978 0.940777 H\n0.052799 0.612022 0.861285 H\n0.559223 0.447201 0.308486 H\n0.940777 0.249263 0.887978 H\n0.308486 0.559223 0.447201 H\n0.612022 0.861285 0.052799 H\n0.861285 0.308486 0.249263 H\n0.059223 0.750737 0.112022 H\n0.691514 0.440777 0.552799 H\n0.163423 0.479483 0.587470 O\n0.020517 0.183940 0.107987 O\n0.924047 0.316060 0.336577 O\n0.020517 0.336577 0.912530 O\n0.183940 0.575953 0.163423 O\n0.575953 0.163423 0.183940 O\n0.316060 0.479483 0.392013 O\n0.924047 0.107987 0.587470 O\n0.587470 0.924047 0.107987 O\n0.912530 0.020517 0.336577 O\n0.587470 0.163423 0.479483 O\n0.163423 0.183940 0.575953 O\n0.912530 0.392013 0.575953 O\n0.392013 0.316060 0.479483 O\n0.107987 0.020517 0.183940 O\n0.336577 0.912530 0.020517 O\n0.479483 0.587470 0.163423 O\n0.316060 0.336577 0.924047 O\n0.392013 0.575953 0.912530 O\n0.575953 0.912530 0.392013 O\n0.183940 0.107987 0.020517 O\n0.107987 0.587470 0.924047 O\n0.424047 0.087470 0.607987 O\n0.607987 0.424047 0.087470 O\n0.683940 0.663423 0.075953 O\n0.520517 0.412530 0.836577 O\n0.663423 0.087470 0.979483 O\n0.892013 0.979483 0.816060 O\n0.607987 0.683940 0.520517 O\n0.087470 0.607987 0.424047 O\n0.836577 0.816060 0.424047 O\n0.520517 0.607987 0.683940 O\n0.087470 0.979483 0.663423 O\n0.412530 0.075953 0.892013 O\n0.075953 0.892013 0.412530 O\n0.683940 0.520517 0.607987 O\n0.424047 0.836577 0.816060 O\n0.816060 0.424047 0.836577 O\n0.979483 0.663423 0.087470 O\n0.075953 0.683940 0.663423 O\n0.979483 0.816060 0.892013 O\n0.836577 0.520517 0.412530 O\n0.663423 0.075953 0.683940 O\n0.412530 0.836577 0.520517 O\n0.816060 0.892013 0.979483 O\n0.892013 0.412530 0.075953 O\n0.336577 0.924047 0.316060 O\n0.479483 0.392013 0.316060 O\n","nsites":116,"nelements":4,"elements":["Sr","Al","H","O"],"chemical_system":"Al-H-O-Sr","density":3.0062867548506613,"density_atomic":0.10078958206231176,"volume":1150.9126005531466,"volume_molar":5.974963519817847,"formula_full":"Sr12 Al8 H48 O48","formula_reduced":"Sr3Al2(HO)12","formula_anonymous":"A2B3C12D12","energy":-693.3225044,"energy_per_atom":-5.9769181413793095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-660.3465044,"band_gap":3.8993,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.062137,"is_theoretical":false,"updated_at":"2021-11-28T01:35:54.405000Z","spacegroup":230},{"id":"mp-1233488","created_at":"2022-09-04T14:42:56.584517Z","structure_string":"Ca1 Ag4 P4 O12\n1.0\n13.999937 0.004933 -0.704401\n-0.005648 4.290245 -0.112325\n-1.226396 -0.142737 5.697287\nCa Ag P O\n1 4 4 12\ndirect\n0.165102 0.886244 0.696846 Ca\n0.964871 0.293258 0.599294 Ag\n0.473711 0.695435 0.755328 Ag\n0.611315 0.475779 0.293864 Ag\n0.966416 0.777385 0.320187 Ag\n0.228046 0.317400 0.242164 P\n0.358678 0.834616 0.151781 P\n0.650104 0.154593 0.845496 P\n0.783924 0.637751 0.775814 P\n0.150286 0.143521 0.053600 O\n0.209039 0.436692 0.474055 O\n0.263912 0.592176 0.102597 O\n0.325880 0.103796 0.320557 O\n0.346946 0.946570 0.902812 O\n0.451153 0.698046 0.293393 O\n0.564897 0.291024 0.661899 O\n0.625644 0.020485 0.058891 O\n0.695279 0.891715 0.700564 O\n0.737996 0.408428 0.939645 O\n0.784999 0.467746 0.545128 O\n0.875134 0.788451 0.932752 O\n","nsites":21,"nelements":4,"elements":["Ca","Ag","P","O"],"chemical_system":"Ag-Ca-O-P","density":3.8655087410163675,"density_atomic":0.06208120392695872,"volume":338.2666358195538,"volume_molar":9.70042521579529,"formula_full":"Ca1 Ag4 P4 O12","formula_reduced":"CaAg4(PO3)4","formula_anonymous":"AB4C4D12","energy":-136.74361775,"energy_per_atom":-6.511600845238095,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-128.49961775,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.879000Z","spacegroup":1},{"id":"mp-554781","created_at":"2022-09-04T14:42:57.407079Z","structure_string":"Tb6 Cu2 Sn2 S14\n1.0\n4.909490 -8.503486 0.000000\n4.909490 8.503486 0.000000\n0.000000 0.000000 6.213243\nTb Cu Sn S\n6 2 2 14\ndirect\n0.359166 0.149083 0.272724 Tb\n0.149083 0.789917 0.772724 Tb\n0.789917 0.640834 0.272724 Tb\n0.640834 0.850917 0.772724 Tb\n0.210083 0.359166 0.772724 Tb\n0.850917 0.210083 0.272724 Tb\n0.000000 0.000000 0.673759 Cu\n0.000000 0.000000 0.173759 Cu\n0.666667 0.333333 0.838499 Sn\n0.333333 0.666667 0.338499 Sn\n0.563351 0.082522 0.019481 S\n0.519171 0.436649 0.019481 S\n0.917478 0.480829 0.019481 S\n0.480829 0.563351 0.519481 S\n0.147855 0.261229 0.199848 S\n0.436649 0.917478 0.519481 S\n0.261229 0.113374 0.699848 S\n0.666667 0.333333 0.452786 S\n0.113374 0.852145 0.199848 S\n0.082522 0.519171 0.519481 S\n0.333333 0.666667 0.952786 S\n0.886626 0.147855 0.699848 S\n0.852145 0.738771 0.699848 S\n0.738771 0.886626 0.199848 S\n","nsites":24,"nelements":4,"elements":["Tb","Cu","Sn","S"],"chemical_system":"Cu-S-Sn-Tb","density":5.655845866661365,"density_atomic":0.046262545585929446,"volume":518.7781972659001,"volume_molar":13.017313863142904,"formula_full":"Tb6 Cu2 Sn2 S14","formula_reduced":"Tb3CuSnS7","formula_anonymous":"ABC3D7","energy":-143.06533794,"energy_per_atom":-5.961055747500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.02333794,"band_gap":1.5553,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.001495,"is_theoretical":false,"updated_at":"2021-11-28T01:36:00.996000Z","spacegroup":173}]}