HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=19",
"results": [
{
"id": "mp-1518993",
"created_at": "2022-09-04T14:45:57.762312Z",
"structure_string": "Sr2 Ca2 Nd2 Sb2 O12\n1.0\n5.819299 0.000000 0.000000\n0.000000 5.819299 -0.000000\n0.000000 -0.000000 8.442571\nSr Ca Nd Sb O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.250000 Nd\n-0.000000 0.500000 0.750000 Nd\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 0.000000 0.263145 O\n0.500000 0.500000 0.236855 O\n-0.000000 0.000000 0.736855 O\n0.500000 0.500000 0.763145 O\n0.343893 0.193346 0.013437 O\n0.656107 0.806654 0.013437 O\n0.806654 0.343893 0.986563 O\n0.193346 0.656107 0.986563 O\n0.843893 0.306654 0.513437 O\n0.156107 0.693346 0.513437 O\n0.306654 0.156107 0.486563 O\n0.693346 0.843893 0.486563 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ca-Nd-O-Sb-Sr",
"density": 5.688397521406655,
"density_atomic": 0.06995422180882736,
"volume": 285.90125774905334,
"volume_molar": 8.6086880881292,
"formula_full": "Sr2 Ca2 Nd2 Sb2 O12",
"formula_reduced": "SrCaNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -144.04160505,
"energy_per_atom": -7.202080252499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.79760505,
"band_gap": 3.3892,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.799000Z",
"spacegroup": 118
},
{
"id": "mp-1522055",
"created_at": "2022-09-04T14:45:53.301215Z",
"structure_string": "Pr1 Eu1 Zr1 Mn1 O6\n1.0\n0.000000 -4.068332 -4.068332\n4.068332 0.000000 -4.068332\n4.068332 -4.068332 0.000000\nPr Eu Zr Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 0.000000 -0.000000 Mn\n0.753906 0.246094 0.246094 O\n0.246094 0.753906 0.753906 O\n0.753906 0.246094 0.753906 O\n0.246094 0.753906 0.246094 O\n0.753906 0.753906 0.246094 O\n0.246094 0.246094 0.753906 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Pr",
"Eu",
"Zr",
"Mn",
"O"
],
"chemical_system": "Eu-Mn-O-Pr-Zr",
"density": 6.597025352919008,
"density_atomic": 0.07425416935900805,
"volume": 134.67257241342855,
"volume_molar": 8.110171875849597,
"formula_full": "Pr1 Eu1 Zr1 Mn1 O6",
"formula_reduced": "PrEuZrMnO6",
"formula_anonymous": "ABCDE6",
"energy": -93.46249156,
"energy_per_atom": -9.346249156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.67249156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.986000Z",
"spacegroup": 216
},
{
"id": "mp-1043854",
"created_at": "2022-09-04T14:45:53.257149Z",
"structure_string": "La2 Mg2 Fe2 Cu2 O12\n1.0\n5.391963 0.000021 0.000418\n0.000013 5.219069 -0.118438\n0.000614 -0.164316 8.059729\nLa Mg Fe Cu O\n2 2 2 2 12\ndirect\n0.041138 0.984305 0.255053 La\n0.458982 0.484264 0.755015 La\n0.556765 0.535734 0.245094 Mg\n0.943329 0.035808 0.745095 Mg\n0.506100 0.005547 0.004167 Fe\n0.993936 0.505400 0.504198 Fe\n0.497306 0.990009 0.505082 Cu\n0.002419 0.490526 0.004440 Cu\n0.018448 0.643034 0.724219 O\n0.200786 0.201685 0.932544 O\n0.205293 0.187839 0.557860 O\n0.294665 0.688191 0.057716 O\n0.299245 0.701340 0.432694 O\n0.481492 0.143086 0.224099 O\n0.544665 0.925458 0.773229 O\n0.730528 0.254152 0.566397 O\n0.746794 0.271957 0.936732 O\n0.753237 0.771790 0.436861 O\n0.769479 0.754404 0.066313 O\n0.955394 0.425469 0.273189 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Mg",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-La-Mg-O",
"density": 5.546229746103196,
"density_atomic": 0.08822071880614359,
"volume": 226.7041152084472,
"volume_molar": 6.826220463282628,
"formula_full": "La2 Mg2 Fe2 Cu2 O12",
"formula_reduced": "LaMgFeCuO6",
"formula_anonymous": "ABCDE6",
"energy": -140.86799288,
"energy_per_atom": -7.043399644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.11199288,
"band_gap": 0.0732999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9983074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.049000Z",
"spacegroup": 7
},
{
"id": "mp-1516652",
"created_at": "2022-09-04T14:45:11.535831Z",
"structure_string": "Ba2 Ca2 Eu2 Bi2 O12\n1.0\n6.027286 0.001932 0.013620\n0.007519 6.135263 -0.020161\n0.027714 -0.019955 8.621938\nBa Ca Eu Bi O\n2 2 2 2 12\ndirect\n0.993936 0.039429 0.250663 Ba\n0.006064 0.960571 0.749337 Ba\n0.511024 0.547327 0.251953 Ca\n0.488976 0.452673 0.748047 Ca\n0.500000 0.000000 0.000000 Eu\n0.000000 0.500000 0.500000 Eu\n0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.199200 0.218730 0.954159 O\n0.314624 0.708176 0.558412 O\n0.800800 0.781270 0.045841 O\n0.685376 0.291824 0.441588 O\n0.288864 0.689349 0.935629 O\n0.216793 0.203608 0.539204 O\n0.711136 0.310651 0.064371 O\n0.783207 0.796392 0.460796 O\n0.427292 0.936463 0.259540 O\n0.119501 0.489498 0.238312 O\n0.572708 0.063537 0.740460 O\n0.880499 0.510502 0.761688 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ca-Eu-O",
"density": 6.607724309242242,
"density_atomic": 0.06273021104148876,
"volume": 318.8256450591616,
"volume_molar": 9.600064562220348,
"formula_full": "Ba2 Ca2 Eu2 Bi2 O12",
"formula_reduced": "BaCaEuBiO6",
"formula_anonymous": "ABCDE6",
"energy": -147.18614484,
"energy_per_atom": -7.359307242,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.94214484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.611000Z",
"spacegroup": 2
},
{
"id": "mp-1523368",
"created_at": "2022-09-04T14:44:42.330382Z",
"structure_string": "Na1 La1 Ce1 Ni1 O6\n1.0\n0.000000 -4.024519 -4.024519\n4.024519 0.000000 -4.024519\n4.024519 -4.024519 0.000000\nNa La Ce Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ni\n0.731122 0.268878 0.268878 O\n0.268878 0.731122 0.731122 O\n0.731122 0.268878 0.731122 O\n0.268878 0.731122 0.268878 O\n0.731122 0.731122 0.268878 O\n0.268878 0.268878 0.731122 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"La",
"Ce",
"Ni",
"O"
],
"chemical_system": "Ce-La-Na-Ni-O",
"density": 5.817135171348057,
"density_atomic": 0.07670577428319202,
"volume": 130.36828183339554,
"volume_molar": 7.850961438400589,
"formula_full": "Na1 La1 Ce1 Ni1 O6",
"formula_reduced": "NaLaCeNiO6",
"formula_anonymous": "ABCDE6",
"energy": -72.45564252999999,
"energy_per_atom": -7.2455642529999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.79264253,
"band_gap": 1.4265999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.557000Z",
"spacegroup": 216
},
{
"id": "mp-1519990",
"created_at": "2022-09-04T14:44:56.209478Z",
"structure_string": "Sr1 Ca1 Sm1 Nb1 O6\n1.0\n-0.000000 -4.260433 -4.260433\n4.260433 -0.000000 -4.260433\n4.260433 -4.260433 0.000000\nSr Ca Sm Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 -0.000000 Nb\n0.765061 0.234939 0.234939 O\n0.234939 0.765061 0.765061 O\n0.765061 0.234939 0.765061 O\n0.234939 0.765061 0.234939 O\n0.765061 0.765061 0.234939 O\n0.234939 0.234939 0.765061 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Sm",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O-Sm-Sr",
"density": 5.013468467056571,
"density_atomic": 0.06465599276853558,
"volume": 154.66470425718117,
"volume_molar": 9.314126196405164,
"formula_full": "Sr1 Ca1 Sm1 Nb1 O6",
"formula_reduced": "SrCaSmNbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.70841318999999,
"energy_per_atom": -8.070841319,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.58641319,
"band_gap": 2.8641,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.478000Z",
"spacegroup": 216
},
{
"id": "mp-1519434",
"created_at": "2022-09-04T14:45:57.304908Z",
"structure_string": "Na1 Li1 Nb1 Bi1 O6\n1.0\n0.000000 -4.087650 -4.087650\n4.087650 -0.000000 -4.087650\n4.087650 -4.087650 -0.000000\nNa Li Nb Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n0.743619 0.256381 0.256381 O\n0.256381 0.743619 0.743619 O\n0.743619 0.256381 0.743619 O\n0.256381 0.743619 0.256381 O\n0.743619 0.743619 0.256381 O\n0.256381 0.256381 0.743619 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Li",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Li-Na-Nb-O",
"density": 5.20059380711623,
"density_atomic": 0.07320637395197119,
"volume": 136.60012728619427,
"volume_molar": 8.226251943513786,
"formula_full": "Na1 Li1 Nb1 Bi1 O6",
"formula_reduced": "NaLiNbBiO6",
"formula_anonymous": "ABCDE6",
"energy": -67.40788246,
"energy_per_atom": -6.740788245999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.28588246000001,
"band_gap": 0.4856,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.484000Z",
"spacegroup": 216
},
{
"id": "mp-1518505",
"created_at": "2022-09-04T14:46:13.859887Z",
"structure_string": "Sr1 Sm1 Zr1 Cr1 O6\n1.0\n0.000000 -4.030723 -4.030723\n4.030723 0.000000 -4.030723\n4.030723 -4.030723 -0.000000\nSr Sm Zr Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sm\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Cr\n0.756062 0.243938 0.243938 O\n0.243938 0.756062 0.756062 O\n0.756062 0.243938 0.756062 O\n0.243938 0.756062 0.243938 O\n0.756062 0.756062 0.243938 O\n0.243938 0.243938 0.756062 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Sm",
"Zr",
"Cr",
"O"
],
"chemical_system": "Cr-O-Sm-Sr-Zr",
"density": 6.050168789543591,
"density_atomic": 0.07635212765596869,
"volume": 130.97211966454307,
"volume_molar": 7.887325402554424,
"formula_full": "Sr1 Sm1 Zr1 Cr1 O6",
"formula_reduced": "SrSmZrCrO6",
"formula_anonymous": "ABCDE6",
"energy": -86.58306005,
"energy_per_atom": -8.658306005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.46206005,
"band_gap": 2.4087,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.890000Z",
"spacegroup": 216
},
{
"id": "mp-1521389",
"created_at": "2022-09-04T14:46:04.535951Z",
"structure_string": "Ca1 Dy1 Mn1 Sn1 O6\n1.0\n0.000000 -4.002926 -4.002926\n4.002926 0.000000 -4.002926\n4.002926 -4.002926 0.000000\nCa Dy Mn Sn O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Dy\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Sn\n0.732142 0.267858 0.267858 O\n0.267858 0.732142 0.732142 O\n0.732142 0.267858 0.732142 O\n0.267858 0.732142 0.267858 O\n0.732142 0.732142 0.267858 O\n0.267858 0.267858 0.732142 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Dy",
"Mn",
"Sn",
"O"
],
"chemical_system": "Ca-Dy-Mn-O-Sn",
"density": 6.112699444600873,
"density_atomic": 0.07795380520653049,
"volume": 128.2811015255258,
"volume_molar": 7.7252685023456715,
"formula_full": "Ca1 Dy1 Mn1 Sn1 O6",
"formula_reduced": "CaDyMnSnO6",
"formula_anonymous": "ABCDE6",
"energy": -71.25239163,
"energy_per_atom": -7.125239163000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.46239163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0554628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.780000Z",
"spacegroup": 216
},
{
"id": "mp-1522936",
"created_at": "2022-09-04T14:45:57.762626Z",
"structure_string": "Ca1 Eu1 Zr1 Ga1 O6\n1.0\n0.000000 -4.024682 -4.024682\n4.024682 0.000000 -4.024682\n4.024682 -4.024682 -0.000000\nCa Eu Zr Ga O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.757172 0.242828 0.242828 O\n0.242828 0.757172 0.757172 O\n0.757172 0.242828 0.757172 O\n0.242828 0.757172 0.242828 O\n0.757172 0.757172 0.242828 O\n0.242828 0.242828 0.757172 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Eu",
"Zr",
"Ga",
"O"
],
"chemical_system": "Ca-Eu-Ga-O-Zr",
"density": 5.7181639946087905,
"density_atomic": 0.07669645488739325,
"volume": 130.38412289958032,
"volume_molar": 7.85191540970412,
"formula_full": "Ca1 Eu1 Zr1 Ga1 O6",
"formula_reduced": "CaEuZrGaO6",
"formula_anonymous": "ABCDE6",
"energy": -83.82140721,
"energy_per_atom": -8.382140721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.69940721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0001332,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.763000Z",
"spacegroup": 216
},
{
"id": "mp-1520778",
"created_at": "2022-09-04T14:44:25.260362Z",
"structure_string": "Ba1 Sr1 La1 Bi1 O6\n1.0\n0.000000 6.167052 -0.000000\n3.083526 -3.083526 4.449930\n6.167052 -0.000000 0.000000\nBa Sr La Bi O\n1 1 1 1 6\ndirect\n0.750000 0.500000 0.750000 Ba\n0.500000 -0.000000 0.500000 Sr\n0.250000 0.500000 0.250000 La\n-0.000000 0.000000 -0.000000 Bi\n0.762494 0.524987 0.237506 O\n0.237506 0.475013 0.762494 O\n0.883001 0.057200 0.656376 O\n0.174199 0.057200 0.286425 O\n0.286425 0.942800 0.883001 O\n0.656376 0.942800 0.174199 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"La",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-La-O-Sr",
"density": 6.562298303328805,
"density_atomic": 0.05908695369359686,
"volume": 169.24209787250686,
"volume_molar": 10.191997359059327,
"formula_full": "Ba1 Sr1 La1 Bi1 O6",
"formula_reduced": "BaSrLaBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.11138546,
"energy_per_atom": -6.911138545999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.98938546,
"band_gap": 1.9480000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.265000Z",
"spacegroup": 82
},
{
"id": "mp-1519350",
"created_at": "2022-09-04T14:46:40.570659Z",
"structure_string": "Ca2 La2 Fe2 Bi2 O12\n1.0\n5.798651 0.000000 0.000000\n0.000000 5.798651 0.000000\n0.000000 0.000000 8.507775\nCa La Fe Bi O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 -0.000000 La\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.250000 Bi\n0.000000 0.500000 0.750000 Bi\n-0.000000 -0.000000 0.232705 O\n0.500000 0.500000 0.267295 O\n0.000000 0.000000 0.767295 O\n0.500000 0.500000 0.732705 O\n0.312845 0.135124 0.004660 O\n0.687155 0.864876 0.004660 O\n0.864876 0.312845 0.995340 O\n0.135124 0.687155 0.995340 O\n0.812845 0.364876 0.504660 O\n0.187155 0.635124 0.504660 O\n0.364876 0.187155 0.495340 O\n0.635124 0.812845 0.495340 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Fe-La-O",
"density": 6.266806361592529,
"density_atomic": 0.0699133412280611,
"volume": 286.0684334161475,
"volume_molar": 8.61372186512364,
"formula_full": "Ca2 La2 Fe2 Bi2 O12",
"formula_reduced": "CaLaFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -142.7951777,
"energy_per_atom": -7.139758885000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.0391777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.796000Z",
"spacegroup": 118
}
]
}