HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12193",
"results": [
{
"id": "mp-1206758",
"created_at": "2022-09-04T14:40:18.770585Z",
"structure_string": "Ce2 Cl2 O1\n1.0\n5.759280 0.000000 0.000000\n0.000000 5.759280 0.000000\n0.000000 0.000000 12.965366\nCe Cl O\n2 2 1\ndirect\n0.500000 0.500000 0.161451 Ce\n0.500000 0.500000 0.838549 Ce\n0.500000 0.500000 0.639466 Cl\n0.500000 0.500000 0.360534 Cl\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cl",
"O"
],
"chemical_system": "Ce-Cl-O",
"density": 1.417609314198955,
"density_atomic": 0.01162649574211643,
"volume": 430.05219379109536,
"volume_molar": 51.796696903135484,
"formula_full": "Ce2 Cl2 O1",
"formula_reduced": "Ce2Cl2O",
"formula_anonymous": "AB2C2",
"energy": -28.62243187,
"energy_per_atom": -5.724486374,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.70743187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3312464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.156000Z",
"spacegroup": 123
},
{
"id": "mp-704116",
"created_at": "2022-09-04T14:40:18.848036Z",
"structure_string": "K2 Mn4 Zn6 Si24 O60\n1.0\n5.163265 -8.943038 0.000000\n5.163265 8.943038 0.000000\n0.000000 0.000000 14.375694\nK Mn Zn Si O\n2 4 6 24 60\ndirect\n0.000000 0.000000 0.247172 K\n0.000000 0.000000 0.747172 K\n0.333333 0.666667 0.250371 Mn\n0.333333 0.666667 0.750371 Mn\n0.666667 0.333333 0.250371 Mn\n0.666667 0.333333 0.750371 Mn\n0.000000 0.500000 0.750634 Zn\n0.500000 0.000000 0.250634 Zn\n0.500000 0.000000 0.750634 Zn\n0.500000 0.500000 0.750634 Zn\n0.000000 0.500000 0.250634 Zn\n0.500000 0.500000 0.250634 Zn\n0.235263 0.887133 0.389256 Si\n0.235290 0.348093 0.111926 Si\n0.887133 0.235263 0.889256 Si\n0.651870 0.887133 0.889256 Si\n0.348130 0.235263 0.389256 Si\n0.764710 0.651907 0.111926 Si\n0.764737 0.112867 0.389256 Si\n0.651907 0.764710 0.611926 Si\n0.651907 0.887197 0.111926 Si\n0.887197 0.235290 0.111926 Si\n0.235290 0.887197 0.611926 Si\n0.112867 0.764737 0.889256 Si\n0.112867 0.348130 0.389256 Si\n0.348130 0.112867 0.889256 Si\n0.348093 0.112803 0.111926 Si\n0.235263 0.348130 0.889256 Si\n0.651870 0.764737 0.389256 Si\n0.348093 0.235290 0.611926 Si\n0.112803 0.348093 0.611926 Si\n0.887197 0.651907 0.611926 Si\n0.764737 0.651870 0.889256 Si\n0.112803 0.764710 0.111926 Si\n0.887133 0.651870 0.389256 Si\n0.764710 0.112803 0.611926 Si\n0.877426 0.621586 0.500596 O\n0.276406 0.058341 0.360961 O\n0.744160 0.621586 0.000596 O\n0.502448 0.657748 0.671238 O\n0.657964 0.155588 0.329814 O\n0.342036 0.844412 0.329814 O\n0.217814 0.941687 0.140406 O\n0.497552 0.155300 0.171238 O\n0.782186 0.723873 0.640406 O\n0.378414 0.122574 0.000596 O\n0.276406 0.218064 0.860961 O\n0.744160 0.122574 0.500596 O\n0.255840 0.877426 0.500596 O\n0.217814 0.276127 0.640406 O\n0.621586 0.744160 0.500596 O\n0.218064 0.941659 0.860961 O\n0.657748 0.155300 0.671238 O\n0.844700 0.502448 0.671238 O\n0.155588 0.497624 0.329814 O\n0.058313 0.276127 0.140406 O\n0.155300 0.497552 0.671238 O\n0.621586 0.877426 0.000596 O\n0.276127 0.058313 0.640406 O\n0.276127 0.217814 0.140406 O\n0.723873 0.782186 0.140406 O\n0.155300 0.657748 0.171238 O\n0.342252 0.497552 0.171238 O\n0.844700 0.342252 0.171238 O\n0.378414 0.255840 0.500596 O\n0.941659 0.218064 0.360961 O\n0.218064 0.276406 0.360961 O\n0.723594 0.781936 0.860961 O\n0.941687 0.217814 0.640406 O\n0.941659 0.723594 0.860961 O\n0.342036 0.497624 0.829814 O\n0.155588 0.657964 0.829814 O\n0.723594 0.941659 0.360961 O\n0.782186 0.058313 0.140406 O\n0.497624 0.155588 0.829814 O\n0.255840 0.378414 0.000596 O\n0.781936 0.723594 0.360961 O\n0.342252 0.844700 0.671238 O\n0.058341 0.781936 0.360961 O\n0.941687 0.723873 0.140406 O\n0.844412 0.342036 0.829814 O\n0.502448 0.844700 0.171238 O\n0.657748 0.502448 0.171238 O\n0.502376 0.657964 0.329814 O\n0.781936 0.058341 0.860961 O\n0.723873 0.941687 0.640406 O\n0.497552 0.342252 0.671238 O\n0.058313 0.782186 0.640406 O\n0.657964 0.502376 0.829814 O\n0.877426 0.255840 0.000596 O\n0.502376 0.844412 0.829814 O\n0.122574 0.378414 0.500596 O\n0.844412 0.502376 0.329814 O\n0.058341 0.276406 0.860961 O\n0.497624 0.342036 0.329814 O\n0.122574 0.744160 0.000596 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
"K",
"Mn",
"Zn",
"Si",
"O"
],
"chemical_system": "K-Mn-O-Si-Zn",
"density": 2.9073355991133893,
"density_atomic": 0.07231075998986496,
"volume": 1327.6032503801,
"volume_molar": 8.328139215856758,
"formula_full": "K2 Mn4 Zn6 Si24 O60",
"formula_reduced": "KMn2Zn3(Si2O5)6",
"formula_anonymous": "AB2C3D12E30",
"energy": -746.36245219,
"energy_per_atom": -7.774608876979166,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -698.47045219,
"band_gap": 9.999999999976694e-05,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.9855136,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.181000Z",
"spacegroup": 184
},
{
"id": "mp-1214219",
"created_at": "2022-09-04T14:40:20.494208Z",
"structure_string": "Ca4 B20 H16 O36\n1.0\n20.360591 0.000000 0.000000\n0.000000 6.590883 0.000000\n0.000000 3.224587 5.777573\nCa B H O\n4 20 16 36\ndirect\n0.698071 0.950879 0.683600 Ca\n0.301929 0.049121 0.316400 Ca\n0.198071 0.549121 0.316400 Ca\n0.801929 0.450879 0.683600 Ca\n0.843956 0.940145 0.586288 B\n0.156044 0.059855 0.413712 B\n0.343956 0.559855 0.413712 B\n0.656044 0.440145 0.586288 B\n0.683153 0.837258 0.277031 B\n0.316847 0.162742 0.722969 B\n0.183153 0.662742 0.722969 B\n0.816847 0.337258 0.277031 B\n0.445578 0.651240 0.181285 B\n0.554422 0.348760 0.818715 B\n0.945578 0.848760 0.818715 B\n0.054422 0.151240 0.181285 B\n0.839510 0.758044 0.011310 B\n0.160490 0.241956 0.988690 B\n0.339510 0.741956 0.988690 B\n0.660490 0.258044 0.011310 B\n0.672522 0.526773 0.180663 B\n0.327478 0.473227 0.819337 B\n0.172522 0.973227 0.819337 B\n0.827478 0.026773 0.180663 B\n0.562454 0.939863 0.545972 H\n0.437546 0.060137 0.454028 H\n0.062454 0.560137 0.454028 H\n0.937546 0.439863 0.545972 H\n0.556236 0.886181 0.862964 H\n0.443764 0.113819 0.137036 H\n0.056236 0.613819 0.137036 H\n0.943764 0.386181 0.862964 H\n0.534025 0.578528 0.326739 H\n0.465975 0.421472 0.673261 H\n0.034025 0.921472 0.673261 H\n0.965975 0.078528 0.326739 H\n0.558230 0.915321 0.723323 H\n0.441770 0.084679 0.276677 H\n0.058230 0.584679 0.276677 H\n0.941770 0.415321 0.723323 H\n0.310226 0.731276 0.203032 O\n0.689774 0.268724 0.796968 O\n0.810226 0.768724 0.796968 O\n0.189774 0.231276 0.203032 O\n0.913520 0.965577 0.605812 O\n0.086480 0.034423 0.394188 O\n0.413520 0.534423 0.394188 O\n0.586480 0.465577 0.605812 O\n0.821234 0.982461 0.003207 O\n0.178766 0.017539 0.996793 O\n0.321234 0.517539 0.996793 O\n0.678766 0.482461 0.003207 O\n0.690813 0.672137 0.507974 O\n0.309187 0.327863 0.492026 O\n0.190813 0.827863 0.492026 O\n0.809187 0.172137 0.507974 O\n0.909874 0.731873 0.018032 O\n0.090126 0.268127 0.981968 O\n0.409874 0.768127 0.981968 O\n0.590126 0.231873 0.018032 O\n0.672629 0.766432 0.112793 O\n0.327371 0.233568 0.887207 O\n0.172629 0.733568 0.887207 O\n0.827371 0.266432 0.112793 O\n0.512686 0.650523 0.173801 O\n0.487314 0.349477 0.826199 O\n0.012686 0.849477 0.826199 O\n0.987314 0.150523 0.173801 O\n0.831589 0.864235 0.410969 O\n0.168411 0.135765 0.589031 O\n0.331589 0.635765 0.589031 O\n0.668411 0.364235 0.410969 O\n0.810814 0.562618 0.223046 O\n0.189186 0.437382 0.776954 O\n0.310814 0.937382 0.776954 O\n0.689186 0.062618 0.223046 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O",
"density": 2.0745835277253715,
"density_atomic": 0.09802439455839464,
"volume": 775.3172089701164,
"volume_molar": 6.143512323774178,
"formula_full": "Ca4 B20 H16 O36",
"formula_reduced": "CaB5H4O9",
"formula_anonymous": "AB4C5D9",
"energy": -544.0369316599999,
"energy_per_atom": -7.158380679736841,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -519.30493166,
"band_gap": 1.9247,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9858507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.681000Z",
"spacegroup": 14
},
{
"id": "mp-1397370",
"created_at": "2022-09-04T14:40:19.585013Z",
"structure_string": "Mg4 Cr4 O8\n1.0\n2.967519 0.000000 0.000000\n0.000000 7.609308 0.000000\n0.000000 1.200693 7.746265\nMg Cr O\n4 4 8\ndirect\n0.250000 0.460597 0.168556 Mg\n0.750000 0.539403 0.831444 Mg\n0.750000 0.814671 0.065167 Mg\n0.250000 0.185329 0.934833 Mg\n0.750000 0.311062 0.561253 Cr\n0.750000 0.099106 0.280664 Cr\n0.250000 0.900894 0.719336 Cr\n0.250000 0.688938 0.438747 Cr\n0.750000 0.754520 0.609687 O\n0.750000 0.027125 0.836850 O\n0.250000 0.972875 0.163150 O\n0.250000 0.245480 0.390313 O\n0.250000 0.390193 0.715953 O\n0.750000 0.331181 0.043682 O\n0.750000 0.609807 0.284047 O\n0.250000 0.668819 0.956318 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 4.11250200523695,
"density_atomic": 0.09147216556941527,
"volume": 174.9165978568433,
"volume_molar": 6.5835773347139055,
"formula_full": "Mg4 Cr4 O8",
"formula_reduced": "MgCrO2",
"formula_anonymous": "ABC2",
"energy": -123.43441503,
"energy_per_atom": -7.714650939375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.94241503,
"band_gap": 1.1771000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0057057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.590000Z",
"spacegroup": 11
},
{
"id": "mp-1386967",
"created_at": "2022-09-04T14:40:18.752689Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n-3.125417 3.125417 4.183285\n3.125417 -3.125417 4.183285\n3.125417 3.125417 -4.183285\nCa Ni O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.375000 0.125000 0.750000 Ni\n0.375000 0.625000 0.250000 Ni\n0.875000 0.625000 0.250000 Ni\n0.375000 0.625000 0.750000 Ni\n0.112594 0.859666 0.675603 O\n0.563010 0.887406 0.747072 O\n0.140334 0.815937 0.252928 O\n0.565937 0.813010 0.175603 O\n0.609666 0.434063 0.247072 O\n0.186990 0.362594 0.752928 O\n0.184063 0.436990 0.324397 O\n0.637406 0.390334 0.824397 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.499722281998985,
"density_atomic": 0.08565143645480923,
"volume": 163.45318396833397,
"volume_molar": 7.030986296624876,
"formula_full": "Ca2 Ni4 O8",
"formula_reduced": "Ca(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -89.18944391,
"energy_per_atom": -6.370674565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.52944391,
"band_gap": 0.5981000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999896,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.457000Z",
"spacegroup": 88
},
{
"id": "mp-1100535",
"created_at": "2022-09-04T14:40:18.758011Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.101499 0.000000 0.000000\n1.619813 5.512809 0.000000\n1.757030 2.419526 10.747858\nLi Mn O\n9 7 16\ndirect\n0.515633 0.692086 0.866373 Li\n0.501526 0.829613 0.105476 Li\n0.484367 0.307914 0.133627 Li\n0.520400 0.440132 0.355307 Li\n0.509073 0.938703 0.370814 Li\n0.490927 0.061297 0.629186 Li\n0.479600 0.559868 0.644693 Li\n0.498474 0.170387 0.894524 Li\n0.000000 0.000000 0.000000 Li\n0.982270 0.879416 0.759677 Mn\n0.000000 0.500000 0.000000 Mn\n0.017730 0.120584 0.240323 Mn\n0.000851 0.247224 0.499881 Mn\n0.993245 0.373689 0.755304 Mn\n0.006755 0.626311 0.244696 Mn\n0.999149 0.752776 0.500119 Mn\n0.765501 0.710454 0.692601 O\n0.757711 0.824280 0.942016 O\n0.792113 0.353145 0.913933 O\n0.771876 0.456896 0.195765 O\n0.771211 0.955502 0.199106 O\n0.764582 0.087191 0.447436 O\n0.796303 0.588473 0.422650 O\n0.765826 0.218589 0.693462 O\n0.207887 0.646855 0.086067 O\n0.234174 0.781411 0.306538 O\n0.234499 0.289546 0.307399 O\n0.203697 0.411527 0.577350 O\n0.235418 0.912809 0.552564 O\n0.228789 0.044498 0.800894 O\n0.228124 0.543104 0.804235 O\n0.242289 0.175720 0.057984 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8621366554594987,
"density_atomic": 0.1058661956071194,
"volume": 302.2683474785036,
"volume_molar": 5.688445424400437,
"formula_full": "Li9 Mn7 O16",
"formula_reduced": "Li9Mn7O16",
"formula_anonymous": "A7B9C16",
"energy": -228.72400913,
"energy_per_atom": -7.1476252853125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.05600913,
"band_gap": 0.7002999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9976084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.425000Z",
"spacegroup": 2
},
{
"id": "mp-755631",
"created_at": "2022-09-04T14:40:19.585740Z",
"structure_string": "Mn4 Cr4 O16\n1.0\n4.730461 5.114849 0.000000\n-4.730461 5.114849 0.000000\n0.000000 1.684191 6.753915\nMn Cr O\n4 4 16\ndirect\n0.792458 0.792458 0.867960 Mn\n0.815032 0.184968 0.500000 Mn\n0.184968 0.815032 0.500000 Mn\n0.207542 0.207542 0.132040 Mn\n0.726101 0.726101 0.410839 Cr\n0.745118 0.254882 0.000000 Cr\n0.254882 0.745118 0.000000 Cr\n0.273899 0.273899 0.589161 Cr\n0.856127 0.856127 0.536991 O\n0.789460 0.789460 0.169758 O\n0.780381 0.483266 0.896032 O\n0.483266 0.780381 0.896032 O\n0.492907 0.783838 0.475987 O\n0.783838 0.492907 0.475987 O\n0.112391 0.798540 0.818885 O\n0.798540 0.112391 0.818885 O\n0.887609 0.201460 0.181115 O\n0.201460 0.887609 0.181115 O\n0.507093 0.216162 0.524013 O\n0.216162 0.507093 0.524013 O\n0.516734 0.219619 0.103968 O\n0.219619 0.516734 0.103968 O\n0.210540 0.210540 0.830242 O\n0.143873 0.143873 0.463009 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 3.473841070306603,
"density_atomic": 0.07343267891105275,
"volume": 326.82996665654304,
"volume_molar": 8.200900265799202,
"formula_full": "Mn4 Cr4 O16",
"formula_reduced": "MnCrO4",
"formula_anonymous": "ABC4",
"energy": -198.96685787,
"energy_per_atom": -8.290285744583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.30685787,
"band_gap": 1.3462,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0001303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.646000Z",
"spacegroup": 12
}
]
}