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=-formation_energy&page=10207",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10205",
"results": [
{
"id": "mp-1019793",
"created_at": "2022-09-04T14:42:20.453462Z",
"structure_string": "K6 La2 P4 O16\n1.0\n5.741035 0.000000 0.000000\n0.000000 7.612137 0.000000\n0.000000 0.210168 9.735963\nK La P O\n6 2 4 16\ndirect\n0.750000 0.204190 0.915671 K\n0.250000 0.795810 0.084329 K\n0.750000 0.641716 0.594524 K\n0.250000 0.358284 0.405476 K\n0.750000 0.492262 0.190261 K\n0.250000 0.507738 0.809739 K\n0.750000 0.993017 0.291851 La\n0.250000 0.006983 0.708149 La\n0.750000 0.199352 0.573132 P\n0.250000 0.800648 0.426868 P\n0.250000 0.235659 0.085159 P\n0.750000 0.764341 0.914841 P\n0.750000 0.996250 0.556455 O\n0.250000 0.003750 0.443545 O\n0.750000 0.283971 0.425469 O\n0.250000 0.716029 0.574531 O\n0.527978 0.256434 0.652966 O\n0.027978 0.743566 0.347034 O\n0.472022 0.743566 0.347034 O\n0.972022 0.256434 0.652966 O\n0.471745 0.156338 0.157118 O\n0.971745 0.843662 0.842882 O\n0.528255 0.843662 0.842882 O\n0.028255 0.156338 0.157118 O\n0.250000 0.182027 0.931237 O\n0.750000 0.817973 0.068763 O\n0.250000 0.436613 0.099485 O\n0.750000 0.563387 0.900515 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"La",
"P",
"O"
],
"chemical_system": "K-La-O-P",
"density": 3.4823912480925228,
"density_atomic": 0.06580855064970154,
"volume": 425.4766245961533,
"volume_molar": 9.151000440741834,
"formula_full": "K6 La2 P4 O16",
"formula_reduced": "K3La(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -201.21767599,
"energy_per_atom": -7.186345571071429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.22567599,
"band_gap": 4.2235,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004199,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.541000Z",
"spacegroup": 11
},
{
"id": "mp-1519203",
"created_at": "2022-09-04T14:42:20.453833Z",
"structure_string": "Sr2 Ce2 Eu2 Sb2 O12\n1.0\n5.799899 0.003708 0.004514\n-0.003544 6.098716 0.009163\n-0.004442 0.002151 8.406670\nSr Ce Eu Sb O\n2 2 2 2 12\ndirect\n0.984747 0.057137 0.246670 Sr\n0.015253 0.942863 0.753330 Sr\n-0.000000 0.500000 0.000000 Ce\n0.500000 -0.000000 0.500000 Ce\n0.519048 0.561479 0.249484 Eu\n0.480952 0.438521 0.750516 Eu\n0.500000 -0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.188654 0.197296 0.942815 O\n0.285543 0.680352 0.556064 O\n0.811346 0.802704 0.057185 O\n0.714457 0.319648 0.443936 O\n0.317640 0.688684 0.937375 O\n0.180160 0.222077 0.556880 O\n0.682360 0.311316 0.062625 O\n0.819840 0.777923 0.443120 O\n0.391537 0.952896 0.254068 O\n0.113838 0.466362 0.271269 O\n0.608463 0.047104 0.745932 O\n0.886162 0.533638 0.728731 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ce-Eu-O-Sb-Sr",
"density": 6.672710723245009,
"density_atomic": 0.06725846980638182,
"volume": 297.36031844873014,
"volume_molar": 8.953728470683389,
"formula_full": "Sr2 Ce2 Eu2 Sb2 O12",
"formula_reduced": "SrCeEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -163.94685676,
"energy_per_atom": -8.197342838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.70285676,
"band_gap": 0.1295999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.7890084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.428000Z",
"spacegroup": 2
},
{
"id": "mp-1221109",
"created_at": "2022-09-04T14:42:20.501200Z",
"structure_string": "Nd4 Fe1 Sn8\n1.0\n4.504880 0.000000 0.000000\n0.000000 4.570852 0.000000\n0.000000 0.000000 16.959852\nNd Fe Sn\n4 1 8\ndirect\n0.000000 0.000000 0.098030 Nd\n0.000000 0.500000 0.602078 Nd\n0.500000 0.500000 0.395681 Nd\n0.500000 0.000000 0.899805 Nd\n0.000000 0.000000 0.305900 Fe\n0.000000 0.000000 0.453812 Sn\n0.000000 0.500000 0.938176 Sn\n0.500000 0.500000 0.060138 Sn\n0.500000 0.000000 0.570094 Sn\n0.000000 0.500000 0.239422 Sn\n0.000000 0.000000 0.749032 Sn\n0.500000 0.000000 0.238583 Sn\n0.500000 0.500000 0.752251 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Nd",
"Fe",
"Sn"
],
"chemical_system": "Fe-Nd-Sn",
"density": 7.524687193941403,
"density_atomic": 0.03722553155957571,
"volume": 349.2226828029255,
"volume_molar": 16.177447326338836,
"formula_full": "Nd4 Fe1 Sn8",
"formula_reduced": "Nd4FeSn8",
"formula_anonymous": "AB4C8",
"energy": -66.80995142,
"energy_per_atom": -5.1392270323076925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.80995142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9695462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.785000Z",
"spacegroup": 25
},
{
"id": "mp-1095989",
"created_at": "2022-09-04T14:42:20.502393Z",
"structure_string": "Zn1 In1 Ir2\n1.0\n-5.062151 5.543081 7.836821\n5.062151 -5.543081 7.836821\n5.062151 5.543081 -7.836821\nZn In Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n0.000000 0.246901 0.246901 Ir\n0.000000 0.753099 0.753099 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"In",
"Ir"
],
"chemical_system": "In-Ir-Zn",
"density": 1.065983914394973,
"density_atomic": 0.0045475109367218635,
"volume": 879.6020626799097,
"volume_molar": 132.427185856119,
"formula_full": "Zn1 In1 Ir2",
"formula_reduced": "ZnInIr2",
"formula_anonymous": "ABC2",
"energy": -11.50690826,
"energy_per_atom": -2.876727065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.50690826,
"band_gap": 0.0010000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.117000Z",
"spacegroup": 71
},
{
"id": "mp-9210",
"created_at": "2022-09-04T14:42:20.605846Z",
"structure_string": "La2 Pd4 O8\n1.0\n-2.999182 2.999182 5.196551\n2.999182 -2.999182 5.196551\n2.999182 2.999182 -5.196551\nLa Pd O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.375000 0.625000 0.250000 Pd\n0.875000 0.625000 0.250000 Pd\n0.375000 0.625000 0.750000 Pd\n0.375000 0.125000 0.750000 Pd\n0.594284 0.951092 0.947987 O\n0.396297 0.844284 0.143192 O\n0.701092 0.253104 0.856808 O\n0.003104 0.646297 0.052013 O\n0.155716 0.298908 0.552013 O\n0.353703 0.405716 0.356808 O\n0.746896 0.603703 0.447987 O\n0.048908 0.996896 0.643192 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Pd",
"O"
],
"chemical_system": "La-O-Pd",
"density": 7.384537236052514,
"density_atomic": 0.07487678841847299,
"volume": 186.97383121931594,
"volume_molar": 8.042733785994308,
"formula_full": "La2 Pd4 O8",
"formula_reduced": "La(PdO2)2",
"formula_anonymous": "AB2C4",
"energy": -97.89743259,
"energy_per_atom": -6.992673756428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.40143259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7934273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.756000Z",
"spacegroup": 88
},
{
"id": "mp-1079040",
"created_at": "2022-09-04T14:42:20.607461Z",
"structure_string": "Cs2 Dy2 Br6\n1.0\n8.017402 0.000000 0.000000\n0.000000 8.017402 0.000000\n0.000000 0.000000 5.729822\nCs Dy Br\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.500000 Br\n0.779557 0.279557 0.000000 Br\n0.220443 0.720443 0.000000 Br\n0.279557 0.220443 0.000000 Br\n0.720443 0.779557 0.000000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Dy",
"Br"
],
"chemical_system": "Br-Cs-Dy",
"density": 4.8252493104782195,
"density_atomic": 0.02715135757267826,
"volume": 368.3057089588313,
"volume_molar": 22.179888220616753,
"formula_full": "Cs2 Dy2 Br6",
"formula_reduced": "CsDyBr3",
"formula_anonymous": "ABC3",
"energy": -40.12957112000001,
"energy_per_atom": -4.0129571120000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.92557112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8140836,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.178000Z",
"spacegroup": 127
},
{
"id": "mp-756850",
"created_at": "2022-09-04T14:42:20.458639Z",
"structure_string": "Lu6 Al6 O18\n1.0\n3.229392 -5.618361 0.000000\n3.229392 5.618361 0.000000\n0.000000 0.000000 10.246096\nLu Al O\n6 6 18\ndirect\n0.831430 0.168570 0.500000 Lu\n0.831430 0.168570 0.000000 Lu\n0.168570 0.831430 0.500000 Lu\n0.168570 0.831430 0.000000 Lu\n0.500000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.556244 0.834321 0.250000 Al\n0.165679 0.443756 0.750000 Al\n0.834321 0.556244 0.250000 Al\n0.443756 0.165679 0.750000 Al\n0.881716 0.881716 0.750000 Al\n0.118284 0.118284 0.250000 Al\n0.892773 0.162665 0.750000 O\n0.837335 0.107226 0.250000 O\n0.479397 0.833639 0.085989 O\n0.479397 0.833639 0.414011 O\n0.166361 0.520603 0.585989 O\n0.166361 0.520603 0.914011 O\n0.833639 0.479397 0.085989 O\n0.833639 0.479397 0.414011 O\n0.520603 0.166361 0.585989 O\n0.520603 0.166361 0.914011 O\n0.107227 0.837335 0.250000 O\n0.162665 0.892774 0.750000 O\n0.441963 0.441963 0.750000 O\n0.814525 0.814525 0.581027 O\n0.814525 0.814525 0.918973 O\n0.185475 0.185475 0.081027 O\n0.185475 0.185475 0.418973 O\n0.558037 0.558037 0.250000 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Lu",
"Al",
"O"
],
"chemical_system": "Al-Lu-O",
"density": 6.697751032351873,
"density_atomic": 0.08068678897776412,
"volume": 371.8080788698567,
"volume_molar": 7.463601955531528,
"formula_full": "Lu6 Al6 O18",
"formula_reduced": "LuAlO3",
"formula_anonymous": "ABC3",
"energy": -249.86806762,
"energy_per_atom": -8.328935587333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.50206762,
"band_gap": 3.7125,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.559000Z",
"spacegroup": 63
},
{
"id": "mp-1105234",
"created_at": "2022-09-04T14:42:20.484364Z",
"structure_string": "Y2 Cr2 Te2 O12\n1.0\n-2.596399 -4.496047 -0.000093\n-2.595492 4.495523 0.000186\n0.000170 -0.000295 -9.834984\nY Cr Te O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333013 0.666507 0.250000 Cr\n0.666987 0.333493 0.750000 Cr\n0.333525 0.666762 0.750000 Te\n0.666475 0.333238 0.250000 Te\n0.365339 0.355407 0.139694 O\n0.644476 0.009916 0.139719 O\n0.989933 0.634546 0.139684 O\n0.634661 0.644593 0.860306 O\n0.355524 0.990084 0.860281 O\n0.010067 0.365454 0.860316 O\n0.644476 0.634560 0.360281 O\n0.365339 0.009932 0.360306 O\n0.989933 0.355388 0.360316 O\n0.355524 0.365440 0.639719 O\n0.634661 0.990068 0.639694 O\n0.010067 0.644612 0.639684 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Y",
"Cr",
"Te",
"O"
],
"chemical_system": "Cr-O-Te-Y",
"density": 5.273147346474719,
"density_atomic": 0.07840933167927588,
"volume": 229.56451246934324,
"volume_molar": 7.680387819950891,
"formula_full": "Y2 Cr2 Te2 O12",
"formula_reduced": "YCrTeO6",
"formula_anonymous": "ABCD6",
"energy": -143.54202653,
"energy_per_atom": -7.974557029444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.30002653,
"band_gap": 2.6946000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994493,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.165000Z",
"spacegroup": 163
},
{
"id": "mp-775944",
"created_at": "2022-09-04T14:42:20.492758Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n1.977752 7.679693 0.000000\n-1.977752 7.679693 0.000000\n0.000000 1.382791 9.097246\nBa Ti N O\n2 6 2 11\ndirect\n0.452148 0.452148 0.765628 Ba\n0.547852 0.547852 0.234372 Ba\n0.880143 0.880143 0.093250 Ti\n0.824575 0.824575 0.444679 Ti\n0.758116 0.758116 0.763494 Ti\n0.241884 0.241884 0.236506 Ti\n0.175425 0.175425 0.555321 Ti\n0.119857 0.119857 0.906750 Ti\n0.295977 0.295977 0.420879 N\n0.704023 0.704023 0.579121 N\n0.924168 0.924168 0.287366 O\n0.872305 0.872305 0.618469 O\n0.837877 0.837877 0.909413 O\n0.362126 0.362126 0.108826 O\n0.242759 0.242759 0.771738 O\n0.757241 0.757241 0.228262 O\n0.637874 0.637874 0.891174 O\n0.162123 0.162123 0.090587 O\n0.127695 0.127695 0.381531 O\n0.075832 0.075832 0.712634 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"N",
"O"
],
"chemical_system": "Ba-N-O-Ti",
"density": 4.601977030986295,
"density_atomic": 0.07599126406893457,
"volume": 276.34755464720394,
"volume_molar": 7.924780346510734,
"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy": -189.12585349,
"energy_per_atom": -9.005993023333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.84685349,
"band_gap": 1.4450000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.601000Z",
"spacegroup": 12
},
{
"id": "mp-1371977",
"created_at": "2022-09-04T14:42:20.496444Z",
"structure_string": "Mn4 O8\n1.0\n1.449891 -4.713784 0.000000\n1.449891 4.713784 0.000000\n0.000000 0.000000 9.590060\nMn O\n4 8\ndirect\n0.134927 0.865073 0.423772 Mn\n0.865073 0.134927 0.923772 Mn\n0.865073 0.134927 0.576228 Mn\n0.134927 0.865073 0.076228 Mn\n0.762310 0.237690 0.108239 O\n0.237690 0.762310 0.891760 O\n0.500000 0.500000 0.000000 O\n0.762310 0.237690 0.391760 O\n0.947628 0.052372 0.750000 O\n0.500000 0.500000 0.500000 O\n0.052372 0.947628 0.250000 O\n0.237690 0.762310 0.608240 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.405108523601636,
"density_atomic": 0.09154294799186376,
"volume": 131.08601222965365,
"volume_molar": 6.578486810950465,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy": -95.4244617,
"energy_per_atom": -7.952038474999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.2564617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.909000Z",
"spacegroup": 63
},
{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.9039273904375964,
"density_atomic": 0.050006381652612494,
"volume": 39.99489532943469,
"volume_molar": 12.042744467766115,
"formula_full": "Mg1 Ga1",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -4.81537694,
"energy_per_atom": -2.40768847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.81537694,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.115000Z",
"spacegroup": 187
},
{
"id": "mp-1099244",
"created_at": "2022-09-04T14:42:20.500272Z",
"structure_string": "Mg3 W1 O4\n1.0\n4.442240 0.000000 0.000000\n0.000000 4.442240 0.000000\n0.000000 0.000000 4.442240\nMg W O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 6.075936518962241,
"density_atomic": 0.0912607286205251,
"volume": 87.66092623767142,
"volume_molar": 6.598830461940432,
"formula_full": "Mg3 W1 O4",
"formula_reduced": "Mg3WO4",
"formula_anonymous": "AB3C4",
"energy": -54.72884936,
"energy_per_atom": -6.84110617,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.54284936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7187259,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.712000Z",
"spacegroup": 221
}
]
}