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_per_atom&page=12192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12190",
"results": [
{
"id": "mp-1304790",
"created_at": "2022-09-04T14:42:04.000753Z",
"structure_string": "Li4 Fe2 Co6 O16\n1.0\n-2.916375 1.704183 4.728668\n-0.006334 3.342252 -4.708860\n-5.925684 -6.793051 -4.792990\nLi Fe Co O\n4 2 6 16\ndirect\n0.880556 0.446840 0.317205 Li\n0.868805 0.935893 0.815863 Li\n0.131197 0.064107 0.184138 Li\n0.119443 0.553159 0.682794 Li\n0.503039 0.752844 0.250523 Fe\n0.496949 0.247152 0.749475 Fe\n0.500002 0.999998 0.500000 Co\n0.500002 0.500000 0.499999 Co\n0.999997 0.999997 0.499998 Co\n0.500003 0.500000 0.000000 Co\n0.500003 0.000003 0.999999 Co\n0.999999 0.499998 0.999999 Co\n0.266579 0.136123 0.398498 O\n0.274429 0.636740 0.895214 O\n0.725579 0.363263 0.104789 O\n0.733422 0.863872 0.601503 O\n0.749523 0.103903 0.395933 O\n0.727272 0.596049 0.886607 O\n0.757713 0.661299 0.386154 O\n0.722993 0.125876 0.885505 O\n0.290230 0.660988 0.384438 O\n0.290185 0.144582 0.893788 O\n0.709817 0.855423 0.106214 O\n0.709771 0.339007 0.615564 O\n0.277002 0.874126 0.114493 O\n0.242287 0.338706 0.613842 O\n0.272728 0.403953 0.113396 O\n0.250477 0.896097 0.604069 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.420697898450106,
"density_atomic": 0.09951594942746479,
"volume": 281.3619340526781,
"volume_molar": 6.051432754896661,
"formula_full": "Li4 Fe2 Co6 O16",
"formula_reduced": "Li2FeCo3O8",
"formula_anonymous": "AB2C3D8",
"energy": -189.7935877,
"energy_per_atom": -6.778342417857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.4615877,
"band_gap": 0.4954999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000891,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.551000Z",
"spacegroup": 15
},
{
"id": "mp-757245",
"created_at": "2022-09-04T14:42:04.052180Z",
"structure_string": "Cr5 Si4 O14\n1.0\n7.433504 0.039020 -0.186434\n-3.081860 7.294271 0.138475\n-1.593997 -0.746964 5.496916\nCr Si O\n5 4 14\ndirect\n0.999732 0.999959 0.999964 Cr\n0.389610 0.808510 0.075189 Cr\n0.576448 0.696738 0.644133 Cr\n0.423595 0.303337 0.355923 Cr\n0.610314 0.191271 0.924982 Cr\n0.235553 0.865278 0.496303 Si\n0.215889 0.385339 0.772480 Si\n0.784134 0.614673 0.227494 Si\n0.764476 0.134737 0.503667 Si\n0.224841 0.579799 0.854568 O\n0.356556 0.952128 0.780634 O\n0.007631 0.258643 0.549432 O\n0.350993 0.747049 0.409342 O\n0.233438 0.258293 0.004276 O\n0.405445 0.422627 0.651327 O\n0.235458 0.032338 0.319803 O\n0.764629 0.967681 0.680233 O\n0.594653 0.577436 0.348740 O\n0.766592 0.741742 0.995766 O\n0.649055 0.252932 0.590646 O\n0.992351 0.741378 0.450419 O\n0.643459 0.047849 0.219427 O\n0.775146 0.420261 0.145253 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.335384327952492,
"density_atomic": 0.0774728519964718,
"volume": 296.8781890338495,
"volume_molar": 7.773227143198826,
"formula_full": "Cr5 Si4 O14",
"formula_reduced": "Cr5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy": -199.78801441,
"energy_per_atom": -8.686435409130434,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.17501441,
"band_gap": 0.7892999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9975164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.287000Z",
"spacegroup": 2
},
{
"id": "mp-760807",
"created_at": "2022-09-04T14:42:04.069544Z",
"structure_string": "Li8 V8 F32\n1.0\n7.555908 0.000000 0.000000\n0.000000 7.693733 0.000000\n0.000000 0.000000 10.604564\nLi V F\n8 8 32\ndirect\n0.500000 0.265304 0.266233 Li\n0.500000 0.046825 0.756786 Li\n0.500000 0.850975 0.257562 Li\n0.500000 0.589487 0.762033 Li\n0.000000 0.089487 0.237967 Li\n0.000000 0.350975 0.742438 Li\n0.000000 0.546825 0.243214 Li\n0.000000 0.765304 0.733767 Li\n0.747666 0.492259 0.504188 V\n0.750364 0.738019 0.004105 V\n0.749636 0.238019 0.995895 V\n0.752334 0.992259 0.495812 V\n0.247666 0.992259 0.495812 V\n0.250364 0.238019 0.995895 V\n0.249636 0.738019 0.004105 V\n0.252334 0.492259 0.504188 V\n0.500000 0.202884 0.070963 F\n0.500000 0.029464 0.568453 F\n0.500000 0.785847 0.077220 F\n0.500000 0.473028 0.584730 F\n0.667735 0.757646 0.835034 F\n0.671381 0.436957 0.339872 F\n0.671514 0.021619 0.324800 F\n0.679693 0.200758 0.825620 F\n0.693829 0.486781 0.986773 F\n0.695346 0.740244 0.475939 F\n0.804654 0.240244 0.524061 F\n0.806171 0.986781 0.013227 F\n0.820307 0.700758 0.174380 F\n0.828486 0.521619 0.675200 F\n0.828619 0.936957 0.660128 F\n0.832265 0.257646 0.164966 F\n0.000000 0.285847 0.922780 F\n0.000000 0.529464 0.431547 F\n0.000000 0.973028 0.415270 F\n0.000000 0.702884 0.929037 F\n0.167735 0.257646 0.164966 F\n0.171381 0.936957 0.660128 F\n0.171514 0.521619 0.675200 F\n0.179693 0.700758 0.174380 F\n0.193829 0.986781 0.013227 F\n0.195346 0.240244 0.524061 F\n0.304654 0.740244 0.475939 F\n0.306171 0.486781 0.986773 F\n0.320307 0.200758 0.825620 F\n0.328486 0.021619 0.324800 F\n0.328619 0.436957 0.339872 F\n0.332265 0.757646 0.835034 F\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.8848656244180915,
"density_atomic": 0.07786183736551455,
"volume": 616.4765901255173,
"volume_molar": 7.73439333537644,
"formula_full": "Li8 V8 F32",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy": -300.00542686,
"energy_per_atom": -6.250113059583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.62142686,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0000297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.730000Z",
"spacegroup": 31
},
{
"id": "mp-1223223",
"created_at": "2022-09-04T14:42:04.083379Z",
"structure_string": "La2 Br1 Cl1 O2\n1.0\n4.143079 0.000000 0.000000\n0.000000 4.143079 0.000000\n0.000000 0.000000 7.305438\nLa Br Cl O\n2 1 1 2\ndirect\n0.000000 0.000000 0.161994 La\n0.500000 0.500000 0.830482 La\n0.500000 0.500000 0.370952 Br\n0.000000 0.000000 0.641386 Cl\n0.500000 0.000000 0.997593 O\n0.000000 0.500000 0.997593 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Br",
"Cl",
"O"
],
"chemical_system": "Br-Cl-La-O",
"density": 5.630094601859433,
"density_atomic": 0.04784742408998961,
"volume": 125.39860011513741,
"volume_molar": 12.586133683338495,
"formula_full": "La2 Br1 Cl1 O2",
"formula_reduced": "La2BrClO2",
"formula_anonymous": "ABC2D2",
"energy": -44.26972582,
"energy_per_atom": -7.378287636666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.74772582,
"band_gap": 3.865100000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.021000Z",
"spacegroup": 99
},
{
"id": "mp-893545",
"created_at": "2022-09-04T14:42:04.095514Z",
"structure_string": "Li4 Fe2 Ni3 O10\n1.0\n5.081889 0.000000 0.000000\n-0.816123 4.975626 0.000000\n-1.725618 -2.759555 7.051849\nLi Fe Ni O\n4 2 3 10\ndirect\n0.403645 0.098273 0.413030 Li\n0.834537 0.735739 0.782599 Li\n0.165463 0.264261 0.217401 Li\n0.596355 0.901727 0.586970 Li\n0.728892 0.323320 0.687028 Fe\n0.271108 0.676680 0.312972 Fe\n0.000000 0.500000 0.000000 Ni\n0.895667 0.096381 0.902210 Ni\n0.104333 0.903619 0.097790 Ni\n0.332485 0.375389 0.863071 O\n0.005371 0.196545 0.553058 O\n0.422254 0.810602 0.953839 O\n0.097783 0.549070 0.680075 O\n0.785952 0.023615 0.218679 O\n0.214048 0.976385 0.781321 O\n0.902217 0.450930 0.319925 O\n0.577746 0.189398 0.046161 O\n0.994629 0.803455 0.446942 O\n0.667515 0.624611 0.136929 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.428426761516972,
"density_atomic": 0.10655594703658437,
"volume": 178.31008525011407,
"volume_molar": 5.651623327914669,
"formula_full": "Li4 Fe2 Ni3 O10",
"formula_reduced": "Li4Fe2Ni3O10",
"formula_anonymous": "A2B3C4D10",
"energy": -69.57726915,
"energy_per_atom": -3.6619615342105267,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.57226914999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.369472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.832000Z",
"spacegroup": 2
},
{
"id": "mp-582108",
"created_at": "2022-09-04T14:42:03.999900Z",
"structure_string": "Sr42 Cd8 Bi36\n1.0\n9.005065 9.406122 0.000000\n-9.005065 9.406122 0.000000\n0.000000 0.631425 18.470315\nSr Cd Bi\n42 8 36\ndirect\n0.741282 0.402977 0.156309 Sr\n0.003079 0.260039 0.061408 Sr\n0.007989 0.769388 0.575864 Sr\n0.578875 0.927935 0.757663 Sr\n0.758525 0.070408 0.351241 Sr\n0.428458 0.679122 0.381638 Sr\n0.929592 0.241475 0.648759 Sr\n0.593476 0.593476 0.745856 Sr\n0.230612 0.992011 0.424136 Sr\n0.504960 0.181106 0.435410 Sr\n0.181106 0.504960 0.435410 Sr\n0.739961 0.996921 0.938592 Sr\n0.421125 0.072065 0.242337 Sr\n0.250517 0.924109 0.854414 Sr\n0.491071 0.745181 0.944053 Sr\n0.402977 0.741282 0.156309 Sr\n0.495040 0.818894 0.564590 Sr\n0.992011 0.230612 0.424136 Sr\n0.924109 0.250517 0.854414 Sr\n0.241475 0.929592 0.648759 Sr\n0.508929 0.254819 0.055947 Sr\n0.254346 0.254346 0.582261 Sr\n0.070408 0.758525 0.351241 Sr\n0.597023 0.258718 0.843691 Sr\n0.745654 0.745654 0.417739 Sr\n0.769388 0.007989 0.575864 Sr\n0.736106 0.736106 0.094057 Sr\n0.254819 0.508929 0.055947 Sr\n0.260039 0.003079 0.061408 Sr\n0.263894 0.263894 0.905943 Sr\n0.406524 0.406524 0.254144 Sr\n0.927935 0.578875 0.757663 Sr\n0.075891 0.749483 0.145586 Sr\n0.679122 0.428458 0.381638 Sr\n0.745181 0.491071 0.944053 Sr\n0.749483 0.075891 0.145586 Sr\n0.320878 0.571542 0.618362 Sr\n0.818894 0.495040 0.564590 Sr\n0.571542 0.320878 0.618362 Sr\n0.258718 0.597023 0.843691 Sr\n0.072065 0.421125 0.242337 Sr\n0.996921 0.739961 0.938592 Sr\n0.610105 0.856993 0.246780 Cd\n0.997827 0.997827 0.790631 Cd\n0.844960 0.844960 0.753214 Cd\n0.002173 0.002173 0.209369 Cd\n0.856993 0.610105 0.246780 Cd\n0.389895 0.143007 0.753220 Cd\n0.155040 0.155040 0.246786 Cd\n0.143007 0.389895 0.753220 Cd\n0.618003 0.618003 0.256196 Bi\n0.760825 0.396642 0.743666 Bi\n0.939615 0.939615 0.059297 Bi\n0.396642 0.760825 0.743666 Bi\n0.739433 0.739433 0.883318 Bi\n0.755786 0.244214 0.000000 Bi\n0.943545 0.542475 0.092651 Bi\n0.748548 0.748548 0.623807 Bi\n0.049252 0.049252 0.565531 Bi\n0.782710 0.079387 0.756599 Bi\n0.463482 0.463482 0.923601 Bi\n0.152827 0.152827 0.746918 Bi\n0.244943 0.755057 0.500000 Bi\n0.920613 0.217290 0.243401 Bi\n0.251452 0.251452 0.376193 Bi\n0.847173 0.847173 0.253082 Bi\n0.532815 0.928305 0.392812 Bi\n0.381997 0.381997 0.743804 Bi\n0.603358 0.239175 0.256334 Bi\n0.239175 0.603358 0.256334 Bi\n0.060385 0.060385 0.940703 Bi\n0.056455 0.457525 0.907349 Bi\n0.536518 0.536518 0.076399 Bi\n0.071695 0.467185 0.607188 Bi\n0.260567 0.260567 0.116682 Bi\n0.574702 0.574702 0.535638 Bi\n0.928305 0.532815 0.392812 Bi\n0.457525 0.056455 0.907349 Bi\n0.755057 0.244943 0.500000 Bi\n0.244214 0.755786 0.000000 Bi\n0.542475 0.943545 0.092651 Bi\n0.217290 0.920613 0.243401 Bi\n0.425298 0.425298 0.464362 Bi\n0.467185 0.071695 0.607188 Bi\n0.079387 0.782710 0.756599 Bi\n0.950748 0.950748 0.434469 Bi\n",
"nsites": 86,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd-Sr",
"density": 6.422835866582536,
"density_atomic": 0.02748506029987423,
"volume": 3128.9725786191393,
"volume_molar": 21.910596863517004,
"formula_full": "Sr42 Cd8 Bi36",
"formula_reduced": "Sr21(Cd2Bi9)2",
"formula_anonymous": "A4B18C21",
"energy": -289.8416835,
"energy_per_atom": -3.37025213372093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.8416835,
"band_gap": 0.1777999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2184835,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.423000Z",
"spacegroup": 12
},
{
"id": "mp-1021667",
"created_at": "2022-09-04T14:42:04.012070Z",
"structure_string": "I1 Cl1 O3\n1.0\n4.141923 0.000000 0.000000\n0.000000 4.141923 0.000000\n0.000000 0.000000 4.141923\nI Cl O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 Cl\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"I",
"Cl",
"O"
],
"chemical_system": "Cl-I-O",
"density": 4.915834546789944,
"density_atomic": 0.07036617459341674,
"volume": 71.05686828778931,
"volume_molar": 8.558289255876948,
"formula_full": "I1 Cl1 O3",
"formula_reduced": "IClO3",
"formula_anonymous": "ABC3",
"energy": -18.006949300000002,
"energy_per_atom": -3.6013898600000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.9459493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7877781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.292000Z",
"spacegroup": 221
},
{
"id": "mp-1006330",
"created_at": "2022-09-04T14:42:04.016739Z",
"structure_string": "Ce3 Cu1\n1.0\n4.586055 0.000000 0.000000\n0.000000 4.586055 0.000000\n0.000000 0.000000 4.586055\nCe Cu\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Cu"
],
"chemical_system": "Ce-Cu",
"density": 8.330701204740235,
"density_atomic": 0.04147078104029765,
"volume": 96.45345227795812,
"volume_molar": 14.52140666014516,
"formula_full": "Ce3 Cu1",
"formula_reduced": "Ce3Cu",
"formula_anonymous": "AB3",
"energy": -21.31022231,
"energy_per_atom": -5.3275555775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.31022231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3718172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.398000Z",
"spacegroup": 221
},
{
"id": "mp-777483",
"created_at": "2022-09-04T14:42:04.017437Z",
"structure_string": "Ge4 N4 O2\n1.0\n4.878770 2.693398 0.000000\n-4.878770 2.693398 0.000000\n0.000000 1.693777 5.083603\nGe N O\n4 4 2\ndirect\n0.822666 0.333371 0.505292 Ge\n0.503982 0.667991 0.501680 Ge\n0.333371 0.822666 0.005292 Ge\n0.667991 0.503982 0.001680 Ge\n0.586798 0.427115 0.363260 N\n0.212803 0.664025 0.370474 N\n0.427115 0.586798 0.863260 N\n0.664025 0.212803 0.870474 N\n0.049679 0.814901 0.884294 O\n0.814901 0.049679 0.384294 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ge",
"N",
"O"
],
"chemical_system": "Ge-N-O",
"density": 4.705444848694299,
"density_atomic": 0.07484925794073145,
"volume": 133.6018589244851,
"volume_molar": 8.045692002409115,
"formula_full": "Ge4 N4 O2",
"formula_reduced": "Ge2N2O",
"formula_anonymous": "AB2C2",
"energy": -69.22845457,
"energy_per_atom": -6.922845456999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.41045457,
"band_gap": 2.3193,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.836000Z",
"spacegroup": 9
},
{
"id": "mp-1094482",
"created_at": "2022-09-04T14:42:04.018256Z",
"structure_string": "Y1 Mg5\n1.0\n1.631915 -8.551807 0.000000\n1.631915 8.551807 0.000000\n0.000000 0.000000 5.366906\nY Mg\n1 5\ndirect\n0.778636 0.221364 0.000000 Y\n0.999712 0.000288 0.500000 Mg\n0.334269 0.665731 0.500000 Mg\n0.665606 0.334394 0.500000 Mg\n0.109166 0.890834 0.000000 Mg\n0.445944 0.554056 0.000000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.332647404097543,
"density_atomic": 0.040053626212445174,
"volume": 149.79917094586864,
"volume_molar": 15.035194886122055,
"formula_full": "Y1 Mg5",
"formula_reduced": "YMg5",
"formula_anonymous": "AB5",
"energy": -14.543349409999998,
"energy_per_atom": -2.423891568333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.543349409999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.283000Z",
"spacegroup": 38
},
{
"id": "mp-774814",
"created_at": "2022-09-04T14:42:04.018884Z",
"structure_string": "Li12 Mn8 V12 O48\n1.0\n9.196894 0.000000 0.000000\n0.000000 8.826421 0.000000\n0.000000 8.216287 12.649940\nLi Mn V O\n12 8 12 48\ndirect\n0.910461 0.377487 0.696725 Li\n0.487553 0.716780 0.342255 Li\n0.223595 0.998059 0.180355 Li\n0.723595 0.001941 0.319645 Li\n0.410461 0.622513 0.803275 Li\n0.987553 0.283220 0.157745 Li\n0.012447 0.716780 0.842255 Li\n0.589539 0.377487 0.196725 Li\n0.276405 0.998059 0.680355 Li\n0.776405 0.001941 0.819645 Li\n0.512447 0.283220 0.657745 Li\n0.089539 0.622513 0.303275 Li\n0.972240 0.354487 0.893918 Mn\n0.472240 0.645513 0.606082 Mn\n0.033252 0.871285 0.382163 Mn\n0.533252 0.128715 0.117837 Mn\n0.466748 0.871285 0.882163 Mn\n0.966748 0.128715 0.617837 Mn\n0.527760 0.354487 0.393918 Mn\n0.027760 0.645513 0.106082 Mn\n0.750138 0.554584 0.489308 V\n0.622075 0.261284 0.857286 V\n0.885575 0.964468 0.147760 V\n0.122075 0.738716 0.642714 V\n0.385575 0.035532 0.352240 V\n0.250138 0.445416 0.010692 V\n0.749862 0.554584 0.989308 V\n0.614425 0.964468 0.647760 V\n0.877925 0.261284 0.357286 V\n0.114425 0.035532 0.852240 V\n0.377925 0.738716 0.142714 V\n0.249862 0.445416 0.510692 V\n0.123936 0.610248 0.441254 O\n0.103751 0.167085 0.904196 O\n0.345467 0.462199 0.606423 O\n0.417917 0.870836 0.194186 O\n0.630378 0.517714 0.590061 O\n0.814941 0.282487 0.840273 O\n0.581026 0.148198 0.990116 O\n0.012982 0.870599 0.253644 O\n0.712338 0.981226 0.190804 O\n0.829953 0.768990 0.426920 O\n0.531065 0.462019 0.785425 O\n0.031065 0.537981 0.714575 O\n0.947782 0.182697 0.064281 O\n0.447782 0.817303 0.435719 O\n0.329953 0.231010 0.073080 O\n0.212338 0.018774 0.309196 O\n0.081026 0.851802 0.509884 O\n0.512982 0.129401 0.246356 O\n0.314941 0.717513 0.659727 O\n0.130378 0.482286 0.909939 O\n0.845467 0.537801 0.893577 O\n0.603751 0.832915 0.595804 O\n0.917917 0.129164 0.305814 O\n0.623936 0.389752 0.058746 O\n0.376064 0.610248 0.941254 O\n0.082083 0.870836 0.694186 O\n0.396249 0.167085 0.404196 O\n0.154533 0.462199 0.106423 O\n0.869622 0.517714 0.090061 O\n0.685059 0.282487 0.340273 O\n0.487018 0.870599 0.753644 O\n0.918974 0.148198 0.490116 O\n0.787662 0.981226 0.690804 O\n0.670047 0.768990 0.926920 O\n0.552218 0.182697 0.564281 O\n0.052218 0.817303 0.935719 O\n0.968935 0.462019 0.285425 O\n0.468935 0.537981 0.214575 O\n0.170047 0.231010 0.573080 O\n0.287662 0.018774 0.809196 O\n0.987018 0.129401 0.746356 O\n0.418974 0.851802 0.009884 O\n0.185059 0.717513 0.159727 O\n0.369622 0.482286 0.409939 O\n0.582083 0.129164 0.805814 O\n0.654533 0.537801 0.393577 O\n0.896249 0.832915 0.095804 O\n0.876064 0.389752 0.558746 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.0758155940761305,
"density_atomic": 0.0779068602271759,
"volume": 1026.867207415631,
"volume_molar": 7.7299235811063065,
"formula_full": "Li12 Mn8 V12 O48",
"formula_reduced": "Li3Mn2V3O12",
"formula_anonymous": "A2B3C3D12",
"energy": -627.08328333,
"energy_per_atom": -7.838541041625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -560.36328333,
"band_gap": 1.0555,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9979918,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.843000Z",
"spacegroup": 14
},
{
"id": "mp-1186332",
"created_at": "2022-09-04T14:42:04.025990Z",
"structure_string": "Nd2 Tm6\n1.0\n3.599731 -6.234917 0.000000\n3.599731 6.234917 0.000000\n0.000000 0.000000 5.679403\nNd Tm\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.835590 0.164410 0.750000 Tm\n0.328819 0.164410 0.750000 Tm\n0.835590 0.671181 0.750000 Tm\n0.164410 0.835590 0.250000 Tm\n0.671181 0.835590 0.250000 Tm\n0.164410 0.328819 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Tm"
],
"chemical_system": "Nd-Tm",
"density": 8.481183259399016,
"density_atomic": 0.031380263080954596,
"volume": 254.93731455856994,
"volume_molar": 19.190854915601317,
"formula_full": "Nd2 Tm6",
"formula_reduced": "NdTm3",
"formula_anonymous": "AB3",
"energy": -36.27017488,
"energy_per_atom": -4.53377186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.27017488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1337911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.904000Z",
"spacegroup": 194
}
]
}