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=-energy_per_atom&page=12096",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=12094",
"results": [
{
"id": "mp-1226554",
"created_at": "2022-09-04T14:42:05.957366Z",
"structure_string": "Ce1 U2 O6\n1.0\n-1.916033 1.916033 8.182773\n1.916033 -1.916033 8.182773\n1.916033 1.916033 -8.182773\nCe U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333790 0.333790 0.000000 U\n0.666210 0.666210 0.000000 U\n0.411792 0.911792 0.500000 O\n0.750000 0.250000 0.500000 O\n0.088209 0.588209 0.500000 O\n0.250000 0.750000 0.500000 O\n0.588209 0.088208 0.500000 O\n0.911792 0.411792 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"U",
"O"
],
"chemical_system": "Ce-O-U",
"density": 9.841616608309435,
"density_atomic": 0.07489900446484175,
"volume": 120.16181075176611,
"volume_molar": 8.040348203595745,
"formula_full": "Ce1 U2 O6",
"formula_reduced": "CeU2O6",
"formula_anonymous": "AB2C6",
"energy": -92.8747076,
"energy_per_atom": -10.319411955555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.7527076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9994954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.341000Z",
"spacegroup": 139
},
{
"id": "mp-1206828",
"created_at": "2022-09-04T14:46:57.968625Z",
"structure_string": "Eu2 Y1 Ta1 O6\n1.0\n0.000000 4.213559 4.213559\n4.213559 0.000000 4.213559\n4.213559 4.213559 0.000000\nEu Y Ta O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ta\n0.762739 0.237261 0.237261 O\n0.237261 0.762739 0.762739 O\n0.237261 0.762739 0.237261 O\n0.762739 0.237261 0.762739 O\n0.237261 0.237261 0.762739 O\n0.762739 0.762739 0.237261 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Y",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta-Y",
"density": 7.4336622676218616,
"density_atomic": 0.06683789533914763,
"volume": 149.61572247687008,
"volume_molar": 9.010069406648073,
"formula_full": "Eu2 Y1 Ta1 O6",
"formula_reduced": "Eu2YTaO6",
"formula_anonymous": "ABC2D6",
"energy": -103.21113221000002,
"energy_per_atom": -10.321113221000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.08913221,
"band_gap": 0.5364000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.392000Z",
"spacegroup": 225
},
{
"id": "mp-1186847",
"created_at": "2022-09-04T14:40:12.396870Z",
"structure_string": "Pu1 Pa3\n1.0\n-2.260064 2.260064 4.588376\n2.260064 -2.260064 4.588376\n2.260064 2.260064 -4.588376\nPu Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Pa\n0.250000 0.750000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pu",
"Pa"
],
"chemical_system": "Pa-Pu",
"density": 16.598854195154665,
"density_atomic": 0.04266772873710951,
"volume": 93.74766640721306,
"volume_molar": 14.114041075644014,
"formula_full": "Pu1 Pa3",
"formula_reduced": "PuPa3",
"formula_anonymous": "AB3",
"energy": -41.28763907,
"energy_per_atom": -10.3219097675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.28763907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0568464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.947000Z",
"spacegroup": 139
},
{
"id": "mp-20089",
"created_at": "2022-09-04T14:46:56.249133Z",
"structure_string": "Gd2 Fe4\n1.0\n0.000000 3.660963 3.660963\n3.660963 0.000000 3.660963\n3.660963 3.660963 0.000000\nGd Fe\n2 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Gd\n0.625000 0.625000 0.625000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.625000 0.625000 0.125000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"Fe"
],
"chemical_system": "Fe-Gd",
"density": 9.101615382116817,
"density_atomic": 0.06114137985435068,
"volume": 98.13321214360937,
"volume_molar": 9.849533612662615,
"formula_full": "Gd2 Fe4",
"formula_reduced": "GdFe2",
"formula_anonymous": "AB2",
"energy": -61.93167792,
"energy_per_atom": -10.32194632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.93167792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.5616385,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.202000Z",
"spacegroup": 227
},
{
"id": "mp-1224243",
"created_at": "2022-09-04T14:41:52.437433Z",
"structure_string": "Hf1 U1 Nb2 C4\n1.0\n10.909502 -1.626618 0.000000\n10.909502 1.626618 0.000000\n10.666971 0.000000 2.806927\nHf U Nb C\n1 1 2 4\ndirect\n0.370578 0.370578 0.370578 Hf\n0.126143 0.126143 0.126143 U\n0.879510 0.879510 0.879510 Nb\n0.623607 0.623607 0.623607 Nb\n0.506263 0.506263 0.506263 C\n0.251490 0.251490 0.251490 C\n0.996415 0.996415 0.996415 C\n0.745994 0.745994 0.745994 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Hf",
"U",
"Nb",
"C"
],
"chemical_system": "C-Hf-Nb-U",
"density": 10.840790923268072,
"density_atomic": 0.08030422093562402,
"volume": 99.62116445178157,
"volume_molar": 7.49915843754671,
"formula_full": "Hf1 U1 Nb2 C4",
"formula_reduced": "HfU(NbC2)2",
"formula_anonymous": "ABC2D4",
"energy": -82.58578178,
"energy_per_atom": -10.3232227225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.58578178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.730000Z",
"spacegroup": 160
},
{
"id": "mp-13775",
"created_at": "2022-09-04T14:39:34.615017Z",
"structure_string": "Gd8 Si8 O28\n1.0\n5.127415 0.000000 0.000000\n0.000000 8.341107 0.000000\n0.000000 0.000000 14.003900\nGd Si O\n8 8 28\ndirect\n0.841857 0.007946 0.125750 Gd\n0.158143 0.507946 0.874250 Gd\n0.658143 0.007946 0.625750 Gd\n0.341857 0.507946 0.374250 Gd\n0.841857 0.492054 0.125750 Gd\n0.158143 0.992054 0.874250 Gd\n0.658143 0.492054 0.625750 Gd\n0.341857 0.992054 0.374250 Gd\n0.124944 0.750000 0.538681 Si\n0.875056 0.250000 0.461319 Si\n0.375056 0.750000 0.038681 Si\n0.624944 0.250000 0.961319 Si\n0.878739 0.750000 0.319995 Si\n0.121261 0.250000 0.680005 Si\n0.621261 0.750000 0.819995 Si\n0.378739 0.250000 0.180005 Si\n0.851825 0.750000 0.598332 O\n0.148175 0.250000 0.401668 O\n0.648175 0.750000 0.098332 O\n0.351825 0.250000 0.901668 O\n0.291869 0.915952 0.546594 O\n0.708131 0.415952 0.453406 O\n0.208131 0.915952 0.046594 O\n0.791869 0.415952 0.953406 O\n0.291869 0.584048 0.546594 O\n0.708131 0.084048 0.453406 O\n0.208131 0.584048 0.046594 O\n0.791869 0.084048 0.953406 O\n0.061881 0.750000 0.419829 O\n0.938119 0.250000 0.580171 O\n0.438119 0.750000 0.919829 O\n0.561881 0.250000 0.080171 O\n0.485490 0.087660 0.231752 O\n0.514510 0.587660 0.768248 O\n0.014510 0.087660 0.731752 O\n0.985490 0.587660 0.268248 O\n0.485490 0.412340 0.231752 O\n0.514510 0.912340 0.768248 O\n0.014510 0.412340 0.731752 O\n0.985490 0.912340 0.268248 O\n0.069860 0.250000 0.154499 O\n0.930140 0.750000 0.845501 O\n0.430140 0.250000 0.654499 O\n0.569860 0.750000 0.345501 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Gd",
"Si",
"O"
],
"chemical_system": "Gd-O-Si",
"density": 5.352853445560644,
"density_atomic": 0.07346517436200886,
"volume": 598.9232365145488,
"volume_molar": 8.197272806194055,
"formula_full": "Gd8 Si8 O28",
"formula_reduced": "Gd2Si2O7",
"formula_anonymous": "A2B2C7",
"energy": -454.2622445399999,
"energy_per_atom": -10.324141921363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -435.0262445400001,
"band_gap": 3.2104,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 55.9948398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.202000Z",
"spacegroup": 62
},
{
"id": "mp-639805",
"created_at": "2022-09-04T14:39:42.605064Z",
"structure_string": "Ta24 Ge8\n1.0\n10.340209 0.000000 0.000000\n0.000000 10.340209 0.000000\n0.000000 0.000000 5.248006\nTa Ge\n24 8\ndirect\n0.516222 0.648993 0.726830 Ta\n0.148993 0.983778 0.226830 Ta\n0.097520 0.414347 0.527442 Ta\n0.414347 0.902480 0.472558 Ta\n0.712471 0.810736 0.488603 Ta\n0.689264 0.212471 0.988603 Ta\n0.983778 0.851007 0.773170 Ta\n0.189264 0.712471 0.511397 Ta\n0.085653 0.597520 0.027442 Ta\n0.016222 0.148993 0.773170 Ta\n0.483778 0.351007 0.726830 Ta\n0.310736 0.787529 0.988603 Ta\n0.648993 0.483778 0.273170 Ta\n0.402480 0.085653 0.972558 Ta\n0.212471 0.310736 0.011397 Ta\n0.351007 0.516222 0.273170 Ta\n0.851007 0.016222 0.226830 Ta\n0.914347 0.402480 0.027442 Ta\n0.787529 0.689264 0.011397 Ta\n0.597520 0.914347 0.972558 Ta\n0.585653 0.097520 0.472558 Ta\n0.810736 0.287529 0.511397 Ta\n0.287529 0.189264 0.488603 Ta\n0.902480 0.585653 0.527442 Ta\n0.973871 0.795575 0.276276 Ge\n0.295575 0.526129 0.776276 Ge\n0.795575 0.026129 0.723724 Ge\n0.704425 0.473871 0.776276 Ge\n0.204425 0.973871 0.723724 Ge\n0.473871 0.295575 0.223724 Ge\n0.026129 0.204425 0.276276 Ge\n0.526129 0.704425 0.223724 Ge\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Ta",
"Ge"
],
"chemical_system": "Ge-Ta",
"density": 14.571445664540045,
"density_atomic": 0.057029166136001196,
"volume": 561.1163930345308,
"volume_molar": 10.559755942491963,
"formula_full": "Ta24 Ge8",
"formula_reduced": "Ta3Ge",
"formula_anonymous": "AB3",
"energy": -330.37369885,
"energy_per_atom": -10.3241780890625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -330.37369885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.15e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.109000Z",
"spacegroup": 86
},
{
"id": "mp-754628",
"created_at": "2022-09-04T14:42:59.357265Z",
"structure_string": "W4 N8\n1.0\n5.889180 0.000000 0.000000\n0.000000 6.007305 0.000000\n0.000000 0.000000 8.134127\nW N\n4 8\ndirect\n0.051451 0.374146 0.124253 W\n0.448549 0.874146 0.624253 W\n0.551451 0.374146 0.375747 W\n0.948549 0.874146 0.875747 W\n0.010231 0.096046 0.028120 N\n0.152114 0.904808 0.702258 N\n0.347886 0.404808 0.202258 N\n0.489769 0.596046 0.528120 N\n0.652114 0.904808 0.797742 N\n0.510231 0.096046 0.471880 N\n0.989769 0.596046 0.971880 N\n0.847886 0.404808 0.297742 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 4.889889750160208,
"density_atomic": 0.041699974208375894,
"volume": 287.76996215958496,
"volume_molar": 14.441593488540786,
"formula_full": "W4 N8",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy": -123.89944708000002,
"energy_per_atom": -10.324953923333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.01144708,
"band_gap": 0.8351,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004916,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.114000Z",
"spacegroup": 33
},
{
"id": "mp-16788",
"created_at": "2022-09-04T14:44:22.407261Z",
"structure_string": "Gd8 Si4 Te4 O16\n1.0\n6.235713 0.000000 0.000000\n0.000000 7.100632 0.000000\n0.000000 0.000000 11.202563\nGd Si Te O\n8 4 4 16\ndirect\n0.387954 0.750000 0.500000 Gd\n0.387954 0.750000 0.000000 Gd\n0.612046 0.250000 0.500000 Gd\n0.612046 0.250000 0.000000 Gd\n0.888780 0.966696 0.750000 Gd\n0.888780 0.533304 0.250000 Gd\n0.111220 0.466696 0.750000 Gd\n0.111220 0.033304 0.250000 Gd\n0.114747 0.250000 0.000000 Si\n0.885253 0.750000 0.000000 Si\n0.885253 0.750000 0.500000 Si\n0.114747 0.250000 0.500000 Si\n0.591492 0.592192 0.750000 Te\n0.591492 0.907808 0.250000 Te\n0.408508 0.092192 0.750000 Te\n0.408508 0.407808 0.250000 Te\n0.273180 0.072516 0.466491 O\n0.273180 0.427484 0.533509 O\n0.726820 0.572516 0.033509 O\n0.726820 0.927484 0.966491 O\n0.726820 0.927484 0.533509 O\n0.726820 0.572516 0.466491 O\n0.273180 0.427484 0.966491 O\n0.273180 0.072516 0.033509 O\n0.050135 0.764926 0.383230 O\n0.050135 0.764926 0.116770 O\n0.949865 0.264926 0.116770 O\n0.949865 0.235074 0.883230 O\n0.949865 0.235074 0.616770 O\n0.949865 0.264926 0.383230 O\n0.050135 0.735074 0.883230 O\n0.050135 0.735074 0.616770 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Gd",
"Si",
"Te",
"O"
],
"chemical_system": "Gd-O-Si-Te",
"density": 7.153172761510723,
"density_atomic": 0.064513330002843,
"volume": 496.0215198717817,
"volume_molar": 9.334723164553147,
"formula_full": "Gd8 Si4 Te4 O16",
"formula_reduced": "Gd2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy": -330.39865763,
"energy_per_atom": -10.3249580509375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.71865763,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 55.9939991,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.021000Z",
"spacegroup": 57
},
{
"id": "mp-1218084",
"created_at": "2022-09-04T14:43:05.503361Z",
"structure_string": "Ta12 Cr6 Co6 C4\n1.0\n-4.025407 4.041209 5.708985\n4.025407 -4.041209 5.708985\n4.025407 4.041209 -5.708985\nTa Cr Co C\n12 6 6 4\ndirect\n0.571692 0.071692 0.500000 Ta\n0.179314 0.679314 0.500000 Ta\n0.179072 0.070337 0.500489 Ta\n0.569849 0.678584 0.499511 Ta\n0.569849 0.070337 0.891265 Ta\n0.179072 0.678584 0.108735 Ta\n0.929553 0.929553 0.000000 Ta\n0.319675 0.319675 0.000000 Ta\n0.318878 0.929792 0.999848 Ta\n0.929945 0.319031 0.000152 Ta\n0.929945 0.929792 0.610914 Ta\n0.318878 0.319031 0.389086 Ta\n0.751309 0.502503 0.248806 Cr\n0.253697 0.502503 0.751194 Cr\n0.749105 0.502116 0.753011 Cr\n0.749105 0.996094 0.246989 Cr\n0.952913 0.298895 0.654018 Cr\n0.644876 0.298895 0.345982 Cr\n0.954254 0.299371 0.345117 Co\n0.954254 0.609137 0.654883 Co\n0.548793 0.700768 0.848025 Co\n0.852743 0.700768 0.151975 Co\n0.547579 0.702031 0.154452 Co\n0.547579 0.393127 0.845548 Co\n0.249279 0.999521 0.249759 C\n0.749762 0.999521 0.750241 C\n0.249515 0.998792 0.749278 C\n0.249515 0.500237 0.250722 C\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"Co",
"C"
],
"chemical_system": "C-Co-Cr-Ta",
"density": 12.895965972545252,
"density_atomic": 0.0753733866184605,
"volume": 371.48390507827094,
"volume_molar": 7.989744165913665,
"formula_full": "Ta12 Cr6 Co6 C4",
"formula_reduced": "Ta6Cr3Co3C2",
"formula_anonymous": "A2B3C3D6",
"energy": -289.11007837,
"energy_per_atom": -10.325359941785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.11007837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.939000Z",
"spacegroup": 44
},
{
"id": "mp-1226535",
"created_at": "2022-09-04T14:43:10.173743Z",
"structure_string": "Ce1 U2 O6\n1.0\n1.925323 -3.334757 0.000000\n1.925323 3.334757 0.000000\n0.000000 0.000000 9.390964\nCe U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.666309 U\n0.666667 0.333333 0.333691 U\n0.000000 0.000000 0.262587 O\n0.333333 0.666667 0.905174 O\n0.666667 0.333333 0.581759 O\n0.666667 0.333333 0.094826 O\n0.000000 0.000000 0.737413 O\n0.333333 0.666667 0.418241 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"U",
"O"
],
"chemical_system": "Ce-O-U",
"density": 9.806746375584533,
"density_atomic": 0.07463362675094593,
"volume": 120.5890748152063,
"volume_molar": 8.06893758505937,
"formula_full": "Ce1 U2 O6",
"formula_reduced": "CeU2O6",
"formula_anonymous": "AB2C6",
"energy": -92.92938302,
"energy_per_atom": -10.325487002222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.80738302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.933000Z",
"spacegroup": 164
},
{
"id": "mp-1101173",
"created_at": "2022-09-04T14:40:38.635233Z",
"structure_string": "W2 N4\n1.0\n-2.911400 2.911400 4.307051\n2.911400 -2.911400 4.307051\n2.911400 2.911400 -4.307051\nW N\n2 4\ndirect\n0.500000 0.500000 0.000000 W\n0.250000 0.750000 0.500000 W\n0.875000 0.549993 0.174993 N\n0.299993 0.125000 0.674993 N\n0.375000 0.700007 0.825007 N\n0.450007 0.625000 0.325007 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 4.818044096286074,
"density_atomic": 0.041087289246831075,
"volume": 146.03056346587186,
"volume_molar": 14.656943474226562,
"formula_full": "W2 N4",
"formula_reduced": "WN2",
"formula_anonymous": "AB2",
"energy": -61.95378292,
"energy_per_atom": -10.325630486666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.509782920000006,
"band_gap": 0.8721999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.240000Z",
"spacegroup": 122
}
]
}