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=10371",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10369",
"results": [
{
"id": "mp-569382",
"created_at": "2022-09-04T14:41:04.386877Z",
"structure_string": "Nd3 Ga1\n1.0\n4.864414 0.000000 0.000000\n0.000000 4.864414 0.000000\n0.000000 0.000000 4.864414\nNd Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ga"
],
"chemical_system": "Ga-Nd",
"density": 7.248522552903159,
"density_atomic": 0.03475108767711942,
"volume": 115.1043108971134,
"volume_molar": 17.32935905763047,
"formula_full": "Nd3 Ga1",
"formula_reduced": "Nd3Ga",
"formula_anonymous": "AB3",
"energy": -18.27385586,
"energy_per_atom": -4.568463965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.27385586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0163125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.536000Z",
"spacegroup": 221
},
{
"id": "mp-1223402",
"created_at": "2022-09-04T14:41:04.397079Z",
"structure_string": "K2 Nb2 W2 O12\n1.0\n-3.730193 3.763576 5.292458\n3.730193 -3.763576 5.292458\n3.730193 3.763576 -5.292458\nK Nb W O\n2 2 2 12\ndirect\n0.018335 0.051642 0.533307 K\n0.981665 0.514972 0.033307 K\n0.500000 0.997660 0.497660 Nb\n0.000000 0.997660 0.997660 Nb\n0.499661 0.497720 0.498058 W\n0.500339 0.998397 0.998058 W\n0.185413 0.937561 0.252148 O\n0.555834 0.305633 0.249798 O\n0.195382 0.940555 0.879583 O\n0.558613 0.314832 0.619053 O\n0.195779 0.314832 0.256219 O\n0.560972 0.940555 0.245173 O\n0.814587 0.066735 0.752148 O\n0.444166 0.693964 0.749798 O\n0.804221 0.060440 0.119053 O\n0.439028 0.684201 0.379583 O\n0.804618 0.684201 0.745173 O\n0.441387 0.060440 0.756219 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Nb",
"W",
"O"
],
"chemical_system": "K-Nb-O-W",
"density": 4.602134982035938,
"density_atomic": 0.06056519228515594,
"volume": 297.2004103487617,
"volume_molar": 9.943237250277798,
"formula_full": "K2 Nb2 W2 O12",
"formula_reduced": "KNbWO6",
"formula_anonymous": "ABCD6",
"energy": -154.34200867,
"energy_per_atom": -8.574556037222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.22200867,
"band_gap": 2.9797,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.663000Z",
"spacegroup": 46
},
{
"id": "mp-762292",
"created_at": "2022-09-04T14:41:04.410931Z",
"structure_string": "Li4 V5 O10\n1.0\n5.153230 0.000000 0.000000\n0.868019 5.172152 0.000000\n2.437006 2.161434 7.131147\nLi V O\n4 5 10\ndirect\n0.499109 0.767458 0.425154 Li\n0.978987 0.494140 0.510087 Li\n0.491313 0.388630 0.222244 Li\n0.493805 0.220444 0.598227 Li\n0.020822 0.898769 0.689123 V\n0.502584 0.002822 0.995064 V\n0.993563 0.318200 0.888894 V\n0.006071 0.691978 0.106882 V\n0.992031 0.096116 0.315954 V\n0.234464 0.966648 0.861880 O\n0.776697 0.878112 0.520780 O\n0.781784 0.673884 0.945572 O\n0.250689 0.779122 0.234473 O\n0.209448 0.550374 0.657375 O\n0.781172 0.443563 0.335969 O\n0.760528 0.211155 0.761254 O\n0.215930 0.319947 0.069028 O\n0.235637 0.136280 0.452816 O\n0.762781 0.051594 0.139191 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.8656124915665706,
"density_atomic": 0.09996394940658362,
"volume": 190.06852082965682,
"volume_molar": 6.024312560427291,
"formula_full": "Li4 V5 O10",
"formula_reduced": "Li4V5O10",
"formula_anonymous": "A4B5C10",
"energy": -149.22843192,
"energy_per_atom": -7.854127995789473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.85843192,
"band_gap": 0.9066,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.000064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.517000Z",
"spacegroup": 1
},
{
"id": "mp-1178293",
"created_at": "2022-09-04T14:41:04.451313Z",
"structure_string": "Fe10 O4 F16\n1.0\n4.801571 0.000000 0.000000\n0.073571 5.780026 0.000000\n0.150257 2.607860 13.302849\nFe O F\n10 4 16\ndirect\n0.505414 0.493748 0.998251 Fe\n0.497072 0.715631 0.394167 Fe\n0.466594 0.121653 0.204017 Fe\n0.511854 0.314018 0.607144 Fe\n0.512120 0.878782 0.802532 Fe\n0.021909 0.191194 0.399100 Fe\n0.959144 0.410274 0.795200 Fe\n0.017588 0.591425 0.193843 Fe\n0.988679 0.782636 0.603436 Fe\n0.002068 0.001831 0.998800 Fe\n0.806372 0.473443 0.667808 O\n0.701087 0.564125 0.873630 O\n0.295664 0.034921 0.333740 O\n0.318548 0.413107 0.133416 O\n0.797354 0.274864 0.265677 F\n0.800601 0.085310 0.858540 F\n0.795120 0.681422 0.059055 F\n0.807846 0.896959 0.453307 F\n0.701691 0.177444 0.063985 F\n0.712616 0.380965 0.453025 F\n0.687298 0.976143 0.657365 F\n0.702583 0.801342 0.249250 F\n0.284074 0.209155 0.748107 F\n0.304678 0.805996 0.948271 F\n0.306342 0.629985 0.535831 F\n0.214247 0.923276 0.138788 F\n0.203918 0.319966 0.936492 F\n0.194419 0.132073 0.534258 F\n0.189065 0.511759 0.344522 F\n0.194031 0.706553 0.748442 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.166776179694901,
"density_atomic": 0.08125749806701921,
"volume": 369.196698318926,
"volume_molar": 7.41118161801276,
"formula_full": "Fe10 O4 F16",
"formula_reduced": "Fe5(OF4)2",
"formula_anonymous": "A2B5C8",
"energy": -205.09194727,
"energy_per_atom": -6.836398242333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.39194727,
"band_gap": 1.3040999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 44.0001831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.138000Z",
"spacegroup": 1
},
{
"id": "mp-1520565",
"created_at": "2022-09-04T14:41:04.705770Z",
"structure_string": "Ba2 Sr2 Tb2 Ce2 O12\n1.0\n6.153600 0.004843 -0.000843\n0.004088 6.242850 0.003675\n-0.001465 0.004697 8.745147\nBa Sr Tb Ce O\n2 2 2 2 12\ndirect\n0.508863 0.534993 0.249936 Ba\n0.491137 0.465007 0.750065 Ba\n0.989007 0.040325 0.250411 Sr\n0.010993 0.959675 0.749589 Sr\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.204115 0.208861 0.947187 O\n0.290959 0.715078 0.543572 O\n0.795885 0.791139 0.052813 O\n0.709041 0.284922 0.456428 O\n0.286818 0.709648 0.958112 O\n0.208069 0.204458 0.551916 O\n0.713182 0.290352 0.041888 O\n0.791931 0.795542 0.448084 O\n0.400756 0.982900 0.251987 O\n0.077257 0.454855 0.248187 O\n0.599244 0.017100 0.748013 O\n0.922743 0.545145 0.751813 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Tb",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Tb",
"density": 6.128881079997296,
"density_atomic": 0.05953208458401516,
"volume": 335.95329543306735,
"volume_molar": 10.115790169418982,
"formula_full": "Ba2 Sr2 Tb2 Ce2 O12",
"formula_reduced": "BaSrTbCeO6",
"formula_anonymous": "ABCDE6",
"energy": -155.08735449,
"energy_per_atom": -7.7543677245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.84335449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.272000Z",
"spacegroup": 2
},
{
"id": "mp-1104386",
"created_at": "2022-09-04T14:41:04.777305Z",
"structure_string": "Li6 P1 Cl1 O5\n1.0\n0.000000 4.168891 4.168891\n4.168891 0.000000 4.168891\n4.168892 4.168891 0.000000\nLi P Cl O\n6 1 1 5\ndirect\n0.982789 0.517211 0.982789 Li\n0.517211 0.982789 0.982789 Li\n0.517211 0.517211 0.982789 Li\n0.517211 0.982789 0.517211 Li\n0.982789 0.982789 0.517211 Li\n0.982789 0.517211 0.517211 Li\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Cl\n0.824012 0.391996 0.391996 O\n0.391996 0.824012 0.391996 O\n0.391996 0.391996 0.391996 O\n0.391996 0.391996 0.824012 O\n0.750000 0.750000 0.750000 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Li",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Li-O-P",
"density": 2.1551445479995217,
"density_atomic": 0.08971223656831266,
"volume": 144.90776840794695,
"volume_molar": 6.7127306043856745,
"formula_full": "Li6 P1 Cl1 O5",
"formula_reduced": "Li6PClO5",
"formula_anonymous": "ABC5D6",
"energy": -75.86221647,
"energy_per_atom": -5.835555113076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.81321647,
"band_gap": 5.2831,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.17e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.659000Z",
"spacegroup": 216
},
{
"id": "mp-1236582",
"created_at": "2022-09-04T14:41:05.108651Z",
"structure_string": "Sr2 Li1 Co1 W1 O6\n1.0\n5.075674 0.857290 -3.288770\n-1.068262 5.369552 -3.607056\n-0.313220 -0.866502 6.078641\nSr Li Co W O\n2 1 1 1 6\ndirect\n0.214531 0.690526 0.472091 Sr\n0.785429 0.309453 0.527871 Sr\n0.500007 0.000013 0.499952 Li\n0.000070 0.000034 0.000060 Co\n0.499871 0.500023 0.999829 W\n0.668512 0.799427 0.125077 O\n0.182745 0.708736 0.038425 O\n0.817277 0.291266 0.961573 O\n0.331531 0.200506 0.874990 O\n0.317281 0.293446 0.475968 O\n0.682744 0.706571 0.524164 O\n",
"nsites": 11,
"nelements": 5,
"elements": [
"Sr",
"Li",
"Co",
"W",
"O"
],
"chemical_system": "Co-Li-O-Sr-W",
"density": 5.8543387433164265,
"density_atomic": 0.07444317666874398,
"volume": 147.7637104196617,
"volume_molar": 8.089580576064376,
"formula_full": "Sr2 Li1 Co1 W1 O6",
"formula_reduced": "Sr2LiCoWO6",
"formula_anonymous": "ABCD2E6",
"energy": -81.29984411999999,
"energy_per_atom": -7.390894919999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.10184412,
"band_gap": 1.9398,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.146000Z",
"spacegroup": 12
},
{
"id": "mp-554211",
"created_at": "2022-09-04T14:41:04.360362Z",
"structure_string": "Tm6 Mn6 O18\n1.0\n3.072131 -5.321086 0.000000\n3.072131 5.321086 0.000000\n0.000000 0.000000 11.489851\nTm Mn O\n6 6 18\ndirect\n0.666667 0.333333 0.728014 Tm\n0.000000 0.000000 0.771913 Tm\n0.333333 0.666667 0.228014 Tm\n0.666667 0.333333 0.228014 Tm\n0.000000 0.000000 0.271913 Tm\n0.333333 0.666667 0.728014 Tm\n0.666622 0.666622 0.997194 Mn\n0.000000 0.333378 0.997194 Mn\n0.000000 0.666622 0.497194 Mn\n0.333378 0.000000 0.997194 Mn\n0.666622 0.000000 0.497194 Mn\n0.333378 0.333378 0.497194 Mn\n0.666667 0.333333 0.519377 O\n0.640025 0.640025 0.831484 O\n0.359975 0.000000 0.831484 O\n0.693602 0.000000 0.663081 O\n0.000000 0.359975 0.831484 O\n0.333333 0.666667 0.519377 O\n0.000000 0.306398 0.163081 O\n0.359975 0.359975 0.331484 O\n0.000000 0.640025 0.331484 O\n0.306398 0.306398 0.663081 O\n0.693602 0.693602 0.163081 O\n0.000000 0.000000 0.971025 O\n0.306398 0.000000 0.163081 O\n0.333333 0.666667 0.019377 O\n0.000000 0.693602 0.663081 O\n0.640025 0.000000 0.331484 O\n0.000000 0.000000 0.471025 O\n0.666667 0.333333 0.019377 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tm",
"density": 7.210708856850258,
"density_atomic": 0.07986138789950037,
"volume": 375.6508719552029,
"volume_molar": 7.540741425103227,
"formula_full": "Tm6 Mn6 O18",
"formula_reduced": "TmMnO3",
"formula_anonymous": "ABC3",
"energy": -263.87525778,
"energy_per_atom": -8.795841926000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -241.50125778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.922000Z",
"spacegroup": 185
},
{
"id": "mp-1186346",
"created_at": "2022-09-04T14:41:04.363255Z",
"structure_string": "Np1 Sn1 O3\n1.0\n4.159438 0.000000 0.000000\n0.000000 4.159438 0.000000\n0.000000 0.000000 4.159438\nNp Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Np",
"Sn",
"O"
],
"chemical_system": "Np-O-Sn",
"density": 9.315640123650487,
"density_atomic": 0.0694809965632529,
"volume": 71.96212269995561,
"volume_molar": 8.667320645750479,
"formula_full": "Np1 Sn1 O3",
"formula_reduced": "NpSnO3",
"formula_anonymous": "ABC3",
"energy": -41.75954349,
"energy_per_atom": -8.351908697999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.69854349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6474596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.810000Z",
"spacegroup": 221
},
{
"id": "mp-1227875",
"created_at": "2022-09-04T14:41:04.367818Z",
"structure_string": "Ba1 Sr2 Er6 O12\n1.0\n0.000000 0.000000 -3.418315\n-5.154256 -8.927114 0.000000\n-5.154149 8.927052 0.000000\nBa Sr Er O\n1 2 6 12\ndirect\n0.750000 0.000007 0.000008 Ba\n0.750000 0.666704 0.333352 Sr\n0.250000 0.333315 0.666657 Sr\n0.250000 0.346281 0.000036 Er\n0.250000 0.999971 0.346254 Er\n0.250000 0.653749 0.653717 Er\n0.750000 0.651155 0.000471 Er\n0.750000 0.999526 0.650696 Er\n0.750000 0.349308 0.348837 Er\n0.750000 0.305325 0.112775 O\n0.750000 0.887214 0.192563 O\n0.750000 0.807445 0.694660 O\n0.250000 0.709449 0.894619 O\n0.250000 0.105378 0.814820 O\n0.250000 0.185174 0.290549 O\n0.750000 0.395939 0.874324 O\n0.750000 0.125667 0.521608 O\n0.750000 0.478382 0.604053 O\n0.250000 0.602091 0.123217 O\n0.250000 0.876788 0.478875 O\n0.250000 0.521131 0.397909 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Er",
"O"
],
"chemical_system": "Ba-Er-O-Sr",
"density": 7.961045116102191,
"density_atomic": 0.06675843827908498,
"volume": 314.5669752220548,
"volume_molar": 9.02079334873641,
"formula_full": "Ba1 Sr2 Er6 O12",
"formula_reduced": "BaSr2Er6O12",
"formula_anonymous": "AB2C6D12",
"energy": -170.60581901,
"energy_per_atom": -8.12408661952381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.36181901,
"band_gap": 2.6118,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001231,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.628000Z",
"spacegroup": 174
},
{
"id": "mp-10298",
"created_at": "2022-09-04T14:41:04.369842Z",
"structure_string": "Sm2 Si4 Pt4\n1.0\n4.255143 0.000000 0.000000\n0.000000 4.255143 0.000000\n0.000000 0.000000 9.837632\nSm Si Pt\n2 4 4\ndirect\n0.000000 0.500000 0.744885 Sm\n0.500000 0.000000 0.255115 Sm\n0.000000 0.500000 0.132549 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.867451 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.621591 Pt\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.378409 Pt\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Sm",
"density": 11.125396836484194,
"density_atomic": 0.05614112457312634,
"volume": 178.12254521147952,
"volume_molar": 10.726790397929937,
"formula_full": "Sm2 Si4 Pt4",
"formula_reduced": "Sm(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -66.21088859,
"energy_per_atom": -6.621088858999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.49488859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0451204,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.448000Z",
"spacegroup": 129
},
{
"id": "mp-1113319",
"created_at": "2022-09-04T14:41:04.376516Z",
"structure_string": "Rb2 Hg1 As1 Cl6\n1.0\n0.000000 5.363964 5.363964\n5.363964 0.000000 5.363964\n5.363964 5.363964 0.000000\nRb Hg As Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.765805 0.234195 0.234195 Cl\n0.234195 0.234195 0.765805 Cl\n0.234195 0.765805 0.765805 Cl\n0.234195 0.765805 0.234195 Cl\n0.765805 0.234195 0.765805 Cl\n0.765805 0.765805 0.234195 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-Rb",
"density": 3.546139446826479,
"density_atomic": 0.032397570306741834,
"volume": 308.66512227057444,
"volume_molar": 18.588248140160104,
"formula_full": "Rb2 Hg1 As1 Cl6",
"formula_reduced": "Rb2HgAsCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.88893166,
"energy_per_atom": -3.288893166,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.20493166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0447564,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.841000Z",
"spacegroup": 225
}
]
}