{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=spacegroup&page=10180","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=spacegroup&page=10178","results":[{"id":"mp-1186319","created_at":"2022-09-04T14:40:13.848337Z","structure_string":"Nd2 Eu6\n1.0\n3.832787 -6.638582 0.000000\n3.832787 6.638582 0.000000\n0.000000 0.000000 6.183130\nNd Eu\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.169362 0.338724 0.250000 Eu\n0.830638 0.169362 0.750000 Eu\n0.338724 0.169362 0.750000 Eu\n0.830638 0.661276 0.750000 Eu\n0.169362 0.830638 0.250000 Eu\n0.661276 0.830638 0.250000 Eu\n","nsites":8,"nelements":2,"elements":["Nd","Eu"],"chemical_system":"Eu-Nd","density":6.3343045906840905,"density_atomic":0.02542503765825382,"volume":314.6504680752334,"volume_molar":23.685867611861774,"formula_full":"Nd2 Eu6","formula_reduced":"NdEu3","formula_anonymous":"AB3","energy":-70.61820063,"energy_per_atom":-8.82727507875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.61820063,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":45.1369655,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.511000Z","spacegroup":194},{"id":"mp-1183354","created_at":"2022-09-04T14:40:13.906297Z","structure_string":"Ba6 Yb2\n1.0\n4.340264 -7.517558 0.000000\n4.340264 7.517558 0.000000\n0.000000 0.000000 7.067867\nBa Yb\n6 2\ndirect\n0.167696 0.335392 0.250000 Ba\n0.664608 0.832304 0.250000 Ba\n0.167696 0.832304 0.250000 Ba\n0.832304 0.664608 0.750000 Ba\n0.335392 0.167696 0.750000 Ba\n0.832304 0.167696 0.750000 Ba\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n","nsites":8,"nelements":2,"elements":["Ba","Yb"],"chemical_system":"Ba-Yb","density":4.212493567094802,"density_atomic":0.017345175110230995,"volume":461.22336322111994,"volume_molar":34.719400188977396,"formula_full":"Ba6 Yb2","formula_reduced":"Ba3Yb","formula_anonymous":"AB3","energy":-14.31751075,"energy_per_atom":-1.78968884375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.31751075,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2386153,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.281000Z","spacegroup":194},{"id":"mp-864754","created_at":"2022-09-04T14:40:14.127446Z","structure_string":"Na2 In6\n1.0\n3.333152 -5.773189 0.000000\n3.333152 5.773189 0.000000\n0.000000 0.000000 5.554083\nNa In\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.837245 0.162755 0.750000 In\n0.325511 0.162755 0.750000 In\n0.837245 0.674489 0.750000 In\n0.162755 0.837245 0.250000 In\n0.674489 0.837245 0.250000 In\n0.162755 0.325511 0.250000 In\n","nsites":8,"nelements":2,"elements":["Na","In"],"chemical_system":"In-Na","density":5.708956382336083,"density_atomic":0.03742628593907212,"volume":213.7535103810073,"volume_molar":16.09067159323184,"formula_full":"Na2 In6","formula_reduced":"NaIn3","formula_anonymous":"AB3","energy":-19.72711516,"energy_per_atom":-2.465889395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.72711516,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029227,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.792000Z","spacegroup":194},{"id":"mp-1822","created_at":"2022-09-04T14:40:14.180510Z","structure_string":"Ti4 As4\n1.0\n1.824508 -3.160140 0.000000\n1.824508 3.160140 0.000000\n0.000000 0.000000 12.118486\nTi As\n4 4\ndirect\n0.333333 0.666667 0.117037 Ti\n0.666667 0.333333 0.617037 Ti\n0.666667 0.333333 0.882963 Ti\n0.333333 0.666667 0.382963 Ti\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n","nsites":8,"nelements":2,"elements":["Ti","As"],"chemical_system":"As-Ti","density":5.836287538548553,"density_atomic":0.057247896115957576,"volume":139.74312669579552,"volume_molar":10.519409740057428,"formula_full":"Ti4 As4","formula_reduced":"TiAs","formula_anonymous":"AB","energy":-57.57944316,"energy_per_atom":-7.197430395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-57.57944316,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0045709,"is_theoretical":false,"updated_at":"2021-11-28T01:34:45.735000Z","spacegroup":194},{"id":"mp-1183676","created_at":"2022-09-04T14:40:14.558686Z","structure_string":"Cd2 In6\n1.0\n3.252422 -5.633360 0.000000\n3.252422 5.633360 0.000000\n0.000000 0.000000 5.911162\nCd In\n2 6\ndirect\n0.333333 0.666667 0.750000 Cd\n0.666667 0.333333 0.250000 Cd\n0.168281 0.336562 0.250000 In\n0.663438 0.831719 0.250000 In\n0.168281 0.831719 0.250000 In\n0.831719 0.663438 0.750000 In\n0.336562 0.168281 0.750000 In\n0.831719 0.168281 0.750000 In\n","nsites":8,"nelements":2,"elements":["Cd","In"],"chemical_system":"Cd-In","density":7.004703041086342,"density_atomic":0.0369328424895754,"volume":216.60937693214558,"volume_molar":16.305651972765972,"formula_full":"Cd2 In6","formula_reduced":"CdIn3","formula_anonymous":"AB3","energy":-17.95792081,"energy_per_atom":-2.24474010125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.95792081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001485,"is_theoretical":true,"updated_at":"2021-11-28T01:34:52.038000Z","spacegroup":194},{"id":"mp-1214341","created_at":"2022-09-04T14:40:14.322042Z","structure_string":"Ca6 Mn2 H6 S4 O28\n1.0\n4.613125 -7.990167 0.000000\n4.613125 7.990167 0.000000\n0.000000 0.000000 10.779708\nCa Mn H S O\n6 2 6 4 28\ndirect\n0.279690 0.139845 0.250000 Ca\n0.860155 0.139845 0.250000 Ca\n0.139845 0.279690 0.750000 Ca\n0.860155 0.720310 0.250000 Ca\n0.139845 0.860155 0.750000 Ca\n0.720310 0.860155 0.750000 Ca\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.075684 0.537842 0.250000 H\n0.462158 0.537842 0.250000 H\n0.537842 0.075684 0.750000 H\n0.462158 0.924316 0.250000 H\n0.537842 0.462158 0.750000 H\n0.924316 0.462158 0.750000 H\n0.333333 0.666667 0.559810 S\n0.333333 0.666667 0.940190 S\n0.666667 0.333333 0.440190 S\n0.666667 0.333333 0.059810 S\n0.333333 0.666667 0.077516 O\n0.333333 0.666667 0.422484 O\n0.666667 0.333333 0.922484 O\n0.666667 0.333333 0.577516 O\n0.086226 0.172451 0.118317 O\n0.827549 0.913774 0.118317 O\n0.086226 0.172451 0.381683 O\n0.172451 0.086226 0.881683 O\n0.086226 0.913774 0.118317 O\n0.827549 0.913774 0.381683 O\n0.913774 0.827549 0.881683 O\n0.172451 0.086226 0.618317 O\n0.086226 0.913774 0.381683 O\n0.913774 0.827549 0.618317 O\n0.913774 0.086226 0.881683 O\n0.913774 0.086226 0.618317 O\n0.491553 0.245776 0.106394 O\n0.754224 0.245776 0.106394 O\n0.491553 0.245776 0.393606 O\n0.245776 0.491553 0.893606 O\n0.754224 0.508447 0.106394 O\n0.754224 0.245776 0.393606 O\n0.245776 0.754224 0.893606 O\n0.245776 0.491553 0.606394 O\n0.754224 0.508447 0.393606 O\n0.245776 0.754224 0.606394 O\n0.508447 0.754224 0.893606 O\n0.508447 0.754224 0.606394 O\n","nsites":46,"nelements":5,"elements":["Ca","Mn","H","S","O"],"chemical_system":"Ca-H-Mn-O-S","density":1.948824374635803,"density_atomic":0.057885496140815784,"volume":794.6722938695661,"volume_molar":10.403540025553507,"formula_full":"Ca6 Mn2 H6 S4 O28","formula_reduced":"Ca3MnH3(SO7)2","formula_anonymous":"AB2C3D3E14","energy":-268.67868816,"energy_per_atom":-5.8408410469565215,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.10668816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":23.9999098,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.671000Z","spacegroup":194},{"id":"mp-1212250","created_at":"2022-09-04T14:40:14.397926Z","structure_string":"La6 Zn6 Ni12\n1.0\n2.654352 -4.597473 0.000000\n2.654352 4.597473 0.000000\n0.000000 0.000000 16.243868\nLa Zn Ni\n6 6 12\ndirect\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.543141 La\n0.666667 0.333333 0.456859 La\n0.666667 0.333333 0.043141 La\n0.333333 0.666667 0.956859 La\n0.000000 0.000000 0.250000 Zn\n0.000000 0.000000 0.750000 Zn\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.165832 0.331663 0.127002 Ni\n0.834168 0.668337 0.872998 Ni\n0.668337 0.834168 0.127002 Ni\n0.834168 0.668337 0.627002 Ni\n0.331663 0.165832 0.872998 Ni\n0.165832 0.331663 0.372998 Ni\n0.165832 0.834168 0.127002 Ni\n0.331663 0.165832 0.627002 Ni\n0.834168 0.165832 0.872998 Ni\n0.668337 0.834168 0.372998 Ni\n0.834168 0.165832 0.627002 Ni\n0.165832 0.834168 0.372998 Ni\n","nsites":24,"nelements":3,"elements":["La","Zn","Ni"],"chemical_system":"La-Ni-Zn","density":8.08455227057704,"density_atomic":0.060536051687725675,"volume":396.45796729201373,"volume_molar":9.948023685233263,"formula_full":"La6 Zn6 Ni12","formula_reduced":"LaZnNi2","formula_anonymous":"ABC2","energy":-114.57102136,"energy_per_atom":-4.773792556666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-114.57102136,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0021415,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.093000Z","spacegroup":194},{"id":"mp-1193397","created_at":"2022-09-04T14:40:14.476719Z","structure_string":"Zr18 Ni2 Mo8\n1.0\n4.418874 -7.653714 0.000000\n4.418874 7.653714 0.000000\n0.000000 0.000000 8.397771\nZr Ni Mo\n18 2 8\ndirect\n0.199056 0.800944 0.444316 Zr\n0.199056 0.398112 0.444316 Zr\n0.601888 0.800944 0.444316 Zr\n0.800944 0.199056 0.555684 Zr\n0.800944 0.601888 0.555684 Zr\n0.398112 0.199056 0.555684 Zr\n0.800944 0.199056 0.944316 Zr\n0.800944 0.601888 0.944316 Zr\n0.398112 0.199056 0.944316 Zr\n0.199056 0.800944 0.055684 Zr\n0.199056 0.398112 0.055684 Zr\n0.601888 0.800944 0.055684 Zr\n0.541087 0.458913 0.250000 Zr\n0.541087 0.082175 0.250000 Zr\n0.917825 0.458913 0.250000 Zr\n0.458913 0.541087 0.750000 Zr\n0.458913 0.917825 0.750000 Zr\n0.082175 0.541087 0.750000 Zr\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.890041 0.109959 0.250000 Mo\n0.890041 0.780081 0.250000 Mo\n0.219919 0.109959 0.250000 Mo\n0.109959 0.890041 0.750000 Mo\n0.109959 0.219919 0.750000 Mo\n0.780081 0.890041 0.750000 Mo\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n","nsites":28,"nelements":3,"elements":["Zr","Ni","Mo"],"chemical_system":"Mo-Ni-Zr","density":7.3869634484485305,"density_atomic":0.049292422251989106,"volume":568.0386298904211,"volume_molar":12.21717352256307,"formula_full":"Zr18 Ni2 Mo8","formula_reduced":"Zr9NiMo4","formula_anonymous":"AB4C9","energy":-256.04195126,"energy_per_atom":-9.144355402142859,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.04195126,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004983,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.914000Z","spacegroup":194},{"id":"mp-1025503","created_at":"2022-09-04T14:40:21.153713Z","structure_string":"Cr6 Co2\n1.0\n2.541364 -4.401771 0.000000\n2.541364 4.401771 0.000000\n0.000000 0.000000 4.083369\nCr Co\n6 2\ndirect\n0.164791 0.329582 0.250000 Cr\n0.835209 0.670418 0.750000 Cr\n0.670418 0.835209 0.250000 Cr\n0.329582 0.164791 0.750000 Cr\n0.164791 0.835209 0.250000 Cr\n0.835209 0.164791 0.750000 Cr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n","nsites":8,"nelements":2,"elements":["Cr","Co"],"chemical_system":"Co-Cr","density":7.812967261862825,"density_atomic":0.08756832557947629,"volume":91.35723387492737,"volume_molar":6.877076522988161,"formula_full":"Cr6 Co2","formula_reduced":"Cr3Co","formula_anonymous":"AB3","energy":-70.11792917,"energy_per_atom":-8.76474114625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-70.11792917,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.7676674,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.747000Z","spacegroup":194},{"id":"mp-1039123","created_at":"2022-09-04T14:40:14.610031Z","structure_string":"Ca2 Zn2\n1.0\n2.596923 -4.498003 0.000000\n2.596923 4.498003 0.000000\n0.000000 0.000000 6.209480\nCa Zn\n2 2\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n","nsites":4,"nelements":2,"elements":["Ca","Zn"],"chemical_system":"Ca-Zn","density":2.414982526000319,"density_atomic":0.027573757353114892,"volume":145.06546745788842,"volume_molar":21.840116611165087,"formula_full":"Ca2 Zn2","formula_reduced":"CaZn","formula_anonymous":"AB","energy":-5.66712552,"energy_per_atom":-1.41678138,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-5.66712552,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.98e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:56.739000Z","spacegroup":194},{"id":"mp-3642","created_at":"2022-09-04T14:40:14.742061Z","structure_string":"Sc2 Cu2 O4\n1.0\n1.622171 -2.809682 0.000000\n1.622171 2.809682 0.000000\n0.000000 0.000000 11.449398\nSc Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.410774 O\n0.666667 0.333333 0.910774 O\n0.333333 0.666667 0.089226 O\n0.666667 0.333333 0.589226 O\n","nsites":8,"nelements":3,"elements":["Sc","Cu","O"],"chemical_system":"Cu-O-Sc","density":4.470860999998972,"density_atomic":0.07665200805442916,"volume":104.36778113261363,"volume_molar":7.856468359868394,"formula_full":"Sc2 Cu2 O4","formula_reduced":"ScCuO2","formula_anonymous":"ABC2","energy":-62.45393889,"energy_per_atom":-7.80674236125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.70593889,"band_gap":2.3309,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001159,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.644000Z","spacegroup":194},{"id":"mp-1178574","created_at":"2022-09-04T14:40:15.079606Z","structure_string":"Al2 Pd2 O6\n1.0\n1.609973 -2.788555 0.000000\n1.609973 2.788555 0.000000\n0.000000 0.000000 11.864006\nAl Pd O\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.086677 O\n0.333333 0.666667 0.413323 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.586677 O\n0.666667 0.333333 0.913323 O\n","nsites":10,"nelements":3,"elements":["Al","Pd","O"],"chemical_system":"Al-O-Pd","density":5.655312254591946,"density_atomic":0.09387303067115625,"volume":106.52686856388705,"volume_molar":6.415197972137468,"formula_full":"Al2 Pd2 O6","formula_reduced":"AlPdO3","formula_anonymous":"ABC3","energy":-67.26789122,"energy_per_atom":-6.726789122,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.14589122,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.99993,"is_theoretical":true,"updated_at":"2021-11-28T01:34:57.175000Z","spacegroup":194}]}