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=30",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=28",
"results": [
{
"id": "mp-1519324",
"created_at": "2022-09-04T14:42:15.122102Z",
"structure_string": "Sr1 Eu1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.018656 -4.018656\n4.018656 0.000000 -4.018656\n4.018656 -4.018656 -0.000000\nSr Eu Ti Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Nb\n0.747404 0.252596 0.252596 O\n0.252596 0.747404 0.747404 O\n0.747404 0.252596 0.747404 O\n0.252596 0.747404 0.252596 O\n0.747404 0.747404 0.252596 O\n0.252596 0.252596 0.747404 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Ti",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sr-Ti",
"density": 6.094052931432553,
"density_atomic": 0.07704199295880455,
"volume": 129.7993420983689,
"volume_molar": 7.816699086717713,
"formula_full": "Sr1 Eu1 Ti1 Nb1 O6",
"formula_reduced": "SrEuTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -93.27353582,
"energy_per_atom": -9.327353582,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.15153582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.618322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.662000Z",
"spacegroup": 216
},
{
"id": "mp-1520486",
"created_at": "2022-09-04T14:42:00.752739Z",
"structure_string": "Ba4 Sr4 Sm4 W4 O24\n1.0\n8.557255 0.000000 0.000000\n0.000000 8.463277 0.000000\n0.000000 0.000000 8.565043\nBa Sr Sm W O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.750000 Sm\n0.250000 0.750000 0.250000 Sm\n0.750000 0.250000 0.250000 Sm\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.016851 0.213724 0.279863 O\n0.983149 0.786276 0.279863 O\n0.983149 0.213724 0.720137 O\n0.016851 0.786276 0.720137 O\n0.288625 0.019378 0.218480 O\n0.288625 0.980622 0.781520 O\n0.711375 0.980622 0.218480 O\n0.711375 0.019378 0.781520 O\n0.224116 0.276816 0.014945 O\n0.775884 0.276816 0.985055 O\n0.224116 0.723184 0.985055 O\n0.775884 0.723184 0.014945 O\n0.483149 0.286276 0.220137 O\n0.516851 0.713724 0.220137 O\n0.516851 0.286276 0.779863 O\n0.483149 0.713724 0.779863 O\n0.211375 0.480622 0.281520 O\n0.211375 0.519378 0.718480 O\n0.788625 0.519378 0.281520 O\n0.788625 0.480622 0.718480 O\n0.275884 0.223184 0.485055 O\n0.724116 0.223184 0.514945 O\n0.275884 0.776816 0.514945 O\n0.724116 0.776816 0.485055 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Sm",
"W",
"O"
],
"chemical_system": "Ba-O-Sm-Sr-W",
"density": 7.015245633759717,
"density_atomic": 0.06448480849700387,
"volume": 620.3011365360339,
"volume_molar": 9.338851894519937,
"formula_full": "Ba4 Sr4 Sm4 W4 O24",
"formula_reduced": "BaSrSmWO6",
"formula_anonymous": "ABCDE6",
"energy": -327.17580672,
"energy_per_atom": -8.179395168000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -292.93580672,
"band_gap": 1.7599000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.723000Z",
"spacegroup": 48
},
{
"id": "mp-1519829",
"created_at": "2022-09-04T14:41:58.175965Z",
"structure_string": "Ba1 La1 Ti1 Cu1 O6\n1.0\n0.000000 -4.154710 -4.154710\n4.154710 0.000000 -4.154710\n4.154710 -4.154710 -0.000000\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Cu\n0.771566 0.228434 0.228434 O\n0.228434 0.771566 0.771566 O\n0.771566 0.228434 0.771566 O\n0.228434 0.771566 0.228434 O\n0.771566 0.771566 0.228434 O\n0.228434 0.228434 0.771566 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Ti",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-La-O-Ti",
"density": 5.5991338239633865,
"density_atomic": 0.06971847171469472,
"volume": 143.4340104430642,
"volume_molar": 8.637798006594426,
"formula_full": "Ba1 La1 Ti1 Cu1 O6",
"formula_reduced": "BaLaTiCuO6",
"formula_anonymous": "ABCDE6",
"energy": -67.54856233999999,
"energy_per_atom": -6.754856233999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.42656234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4823119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.502000Z",
"spacegroup": 216
},
{
"id": "mp-1519208",
"created_at": "2022-09-04T14:40:43.900668Z",
"structure_string": "K1 Sr1 Nd1 W1 O6\n1.0\n0.000000 -4.280374 -4.280374\n4.280374 0.000000 -4.280374\n4.280374 -4.280374 -0.000000\nK Sr Nd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728253 0.271747 0.271747 O\n0.271747 0.728253 0.728253 O\n0.728253 0.271747 0.728253 O\n0.271747 0.728253 0.271747 O\n0.728253 0.728253 0.271747 O\n0.271747 0.271747 0.728253 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nd",
"W",
"O"
],
"chemical_system": "K-Nd-O-Sr-W",
"density": 5.831298580840416,
"density_atomic": 0.06375655642008181,
"volume": 156.84661408172033,
"volume_molar": 9.44552387729518,
"formula_full": "K1 Sr1 Nd1 W1 O6",
"formula_reduced": "KSrNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.78537755,
"energy_per_atom": -7.878537755000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.22537755,
"band_gap": 2.858,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.450000Z",
"spacegroup": 216
},
{
"id": "mp-1520851",
"created_at": "2022-09-04T14:41:05.819546Z",
"structure_string": "Ba1 Eu1 Gd1 V1 O6\n1.0\n-0.000000 -4.186794 -4.186794\n4.186794 0.000000 -4.186794\n4.186794 -4.186794 0.000000\nBa Eu Gd V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 V\n0.730091 0.269909 0.269909 O\n0.269909 0.730091 0.730091 O\n0.730091 0.269909 0.730091 O\n0.269909 0.730091 0.269909 O\n0.730091 0.730091 0.269909 O\n0.269909 0.269909 0.730091 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Gd",
"V",
"O"
],
"chemical_system": "Ba-Eu-Gd-O-V",
"density": 6.713973233282113,
"density_atomic": 0.06812793493360893,
"volume": 146.78266719437568,
"volume_molar": 8.839458829727645,
"formula_full": "Ba1 Eu1 Gd1 V1 O6",
"formula_reduced": "BaEuGdVO6",
"formula_anonymous": "ABCDE6",
"energy": -96.0191735,
"energy_per_atom": -9.601917349999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.1971735,
"band_gap": 0.0893000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.8917911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.697000Z",
"spacegroup": 216
},
{
"id": "mp-1638745",
"created_at": "2022-09-04T14:41:33.631348Z",
"structure_string": "Ca2 La2 Fe2 Ni2 O12\n1.0\n5.487616 -0.000633 -0.014384\n-0.000655 5.466729 0.008289\n-0.020278 0.019097 7.708037\nCa La Fe Ni O\n2 2 2 2 12\ndirect\n0.542708 0.507327 0.247968 Ca\n0.957014 0.012444 0.751600 Ca\n0.032112 0.990926 0.248219 La\n0.468499 0.496033 0.752239 La\n0.999646 0.499363 0.500743 Fe\n0.500531 0.999821 0.000480 Fe\n0.499327 0.000605 0.499331 Ni\n0.001099 0.499213 0.999258 Ni\n0.016857 0.586929 0.738019 O\n0.486758 0.076395 0.243687 O\n0.221653 0.207845 0.958563 O\n0.277875 0.696428 0.454078 O\n0.201317 0.223801 0.545280 O\n0.291136 0.721199 0.039702 O\n0.516924 0.933272 0.756047 O\n0.978290 0.422967 0.261593 O\n0.726168 0.296487 0.543131 O\n0.774565 0.785261 0.036477 O\n0.715464 0.272819 0.964888 O\n0.792056 0.770864 0.458692 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Fe",
"Ni",
"O"
],
"chemical_system": "Ca-Fe-La-Ni-O",
"density": 5.59443854967728,
"density_atomic": 0.08649272454144333,
"volume": 231.2333217161742,
"volume_molar": 6.9625980588858285,
"formula_full": "Ca2 La2 Fe2 Ni2 O12",
"formula_reduced": "CaLaFeNiO6",
"formula_anonymous": "ABCDE6",
"energy": -148.72994835,
"energy_per_atom": -7.4364974175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.89194835,
"band_gap": 0.3579999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0002619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.513000Z",
"spacegroup": 1
},
{
"id": "mp-1521542",
"created_at": "2022-09-04T14:40:34.184013Z",
"structure_string": "Ca1 Nd1 Hf1 Ti1 O6\n1.0\n0.000000 -4.012858 -4.012858\n4.012858 -0.000000 -4.012858\n4.012858 -4.012858 0.000000\nCa Nd Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Nd\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.745323 0.254677 0.254677 O\n0.254677 0.745323 0.745323 O\n0.745323 0.254677 0.745323 O\n0.254677 0.745323 0.254677 O\n0.745323 0.745323 0.254677 O\n0.254677 0.254677 0.745323 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ca",
"Nd",
"Hf",
"Ti",
"O"
],
"chemical_system": "Ca-Hf-Nd-O-Ti",
"density": 6.510072582771615,
"density_atomic": 0.07737641933603714,
"volume": 129.23834012751504,
"volume_molar": 7.782914758366519,
"formula_full": "Ca1 Nd1 Hf1 Ti1 O6",
"formula_reduced": "CaNdHfTiO6",
"formula_anonymous": "ABCDE6",
"energy": -89.55921767,
"energy_per_atom": -8.955921767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.43721767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.176000Z",
"spacegroup": 216
},
{
"id": "mp-1517712",
"created_at": "2022-09-04T14:42:46.292327Z",
"structure_string": "Sr1 Ca1 Tb1 V1 O6\n1.0\n0.000000 -4.102979 -4.102979\n4.102979 -0.000000 -4.102979\n4.102979 -4.102979 0.000000\nSr Ca Tb V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 V\n0.730716 0.269284 0.269284 O\n0.269284 0.730716 0.730716 O\n0.730716 0.269284 0.730716 O\n0.269284 0.730716 0.269284 O\n0.730716 0.730716 0.269284 O\n0.269284 0.269284 0.730716 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Tb",
"V",
"O"
],
"chemical_system": "Ca-O-Sr-Tb-V",
"density": 5.211607244075198,
"density_atomic": 0.07238892410357824,
"volume": 138.14268030412256,
"volume_molar": 8.319146657551057,
"formula_full": "Sr1 Ca1 Tb1 V1 O6",
"formula_reduced": "SrCaTbVO6",
"formula_anonymous": "ABCDE6",
"energy": -77.94771857,
"energy_per_atom": -7.794771857000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.12571857,
"band_gap": 1.6166999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.840000Z",
"spacegroup": 216
},
{
"id": "mp-1517629",
"created_at": "2022-09-04T14:41:47.847547Z",
"structure_string": "Sr1 Tb1 Eu1 Ni1 O6\n1.0\n0.000000 -4.036869 -4.036869\n4.036869 0.000000 -4.036869\n4.036869 -4.036869 0.000000\nSr Tb Eu Ni O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Ni\n0.770106 0.229894 0.229894 O\n0.229894 0.770106 0.770106 O\n0.770106 0.229894 0.770106 O\n0.229894 0.770106 0.229894 O\n0.770106 0.770106 0.229894 O\n0.229894 0.229894 0.770106 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Tb",
"Eu",
"Ni",
"O"
],
"chemical_system": "Eu-Ni-O-Sr-Tb",
"density": 6.981787667229371,
"density_atomic": 0.07600392752414256,
"volume": 131.57214798963528,
"volume_molar": 7.9234599528913465,
"formula_full": "Sr1 Tb1 Eu1 Ni1 O6",
"formula_reduced": "SrTbEuNiO6",
"formula_anonymous": "ABCDE6",
"energy": -77.26733958,
"energy_per_atom": -7.726733958,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.60433958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.290000Z",
"spacegroup": 216
},
{
"id": "mp-1523204",
"created_at": "2022-09-04T14:41:48.055472Z",
"structure_string": "Na1 Sr1 Tb1 Mn1 O6\n1.0\n0.000000 -4.112259 -4.112259\n4.112259 0.000000 -4.112259\n4.112259 -4.112259 -0.000000\nNa Sr Tb Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Tb\n0.000000 -0.000000 0.000000 Mn\n0.769319 0.230681 0.230681 O\n0.230681 0.769319 0.769319 O\n0.769319 0.230681 0.769319 O\n0.230681 0.769319 0.230681 O\n0.769319 0.769319 0.230681 O\n0.230681 0.230681 0.769319 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Tb",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O-Sr-Tb",
"density": 5.020099063711197,
"density_atomic": 0.07189995607179904,
"volume": 139.08214338843317,
"volume_molar": 8.375722446876479,
"formula_full": "Na1 Sr1 Tb1 Mn1 O6",
"formula_reduced": "NaSrTbMnO6",
"formula_anonymous": "ABCDE6",
"energy": -70.29572998,
"energy_per_atom": -7.029572998000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.50572998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.160000Z",
"spacegroup": 216
},
{
"id": "mp-1520444",
"created_at": "2022-09-04T14:40:31.623577Z",
"structure_string": "Ba1 Pr1 Eu1 Fe1 O6\n1.0\n0.000000 -4.158801 -4.158801\n4.158801 0.000000 -4.158801\n4.158801 -4.158801 -0.000000\nBa Pr Eu Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Pr\n0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Fe\n0.735028 0.264972 0.264972 O\n0.264972 0.735028 0.735028 O\n0.735028 0.264972 0.735028 O\n0.264972 0.735028 0.264972 O\n0.735028 0.735028 0.264972 O\n0.264972 0.264972 0.735028 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Pr",
"Eu",
"Fe",
"O"
],
"chemical_system": "Ba-Eu-Fe-O-Pr",
"density": 6.71842621612169,
"density_atomic": 0.06951292848858232,
"volume": 143.8581313926736,
"volume_molar": 8.663339167172552,
"formula_full": "Ba1 Pr1 Eu1 Fe1 O6",
"formula_reduced": "BaPrEuFeO6",
"formula_anonymous": "ABCDE6",
"energy": -81.5114481,
"energy_per_atom": -8.15114481,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.1334481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.753000Z",
"spacegroup": 216
},
{
"id": "mp-1517356",
"created_at": "2022-09-04T14:41:24.147609Z",
"structure_string": "Ba1 Sr1 Ca1 Mn1 O6\n1.0\n0.000000 -4.165160 -4.165160\n4.165160 0.000000 -4.165160\n4.165160 -4.165160 -0.000000\nBa Sr Ca Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.729062 0.270938 0.270938 O\n0.270938 0.729062 0.729062 O\n0.729062 0.270938 0.729062 O\n0.270938 0.729062 0.270938 O\n0.729062 0.729062 0.270938 O\n0.270938 0.270938 0.729062 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ba-Ca-Mn-O-Sr",
"density": 4.779418110054052,
"density_atomic": 0.06919503563522937,
"volume": 144.5190382257522,
"volume_molar": 8.703139906953005,
"formula_full": "Ba1 Sr1 Ca1 Mn1 O6",
"formula_reduced": "BaSrCaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -69.17737484,
"energy_per_atom": -6.917737484,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.38737484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.225000Z",
"spacegroup": 216
}
]
}