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=updated_at&page=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=12163",
"results": [
{
"id": "mp-1211419",
"created_at": "2022-09-04T14:48:13.569640Z",
"structure_string": "K4 Zn4 H4 Cl12\n1.0\n6.665984 0.000000 0.000000\n0.000000 8.987596 0.000000\n0.000000 0.000000 11.820897\nK Zn H Cl\n4 4 4 12\ndirect\n0.189202 0.013487 0.006578 K\n0.310798 0.986513 0.506578 K\n0.810798 0.513487 0.493422 K\n0.689202 0.486513 0.993422 K\n0.266840 0.390866 0.244399 Zn\n0.233160 0.609134 0.744399 Zn\n0.733160 0.890866 0.255601 Zn\n0.766840 0.109134 0.755601 Zn\n0.174141 0.566633 0.273939 H\n0.325859 0.433367 0.773939 H\n0.825859 0.066633 0.226061 H\n0.674141 0.933367 0.726061 H\n0.098676 0.080714 0.746075 Cl\n0.401324 0.919286 0.246075 Cl\n0.901324 0.580714 0.753925 Cl\n0.598676 0.419286 0.253925 Cl\n0.149935 0.364872 0.066874 Cl\n0.350065 0.635128 0.566874 Cl\n0.850065 0.864872 0.433126 Cl\n0.649935 0.135128 0.933126 Cl\n0.107492 0.272660 0.383751 Cl\n0.392508 0.727340 0.883751 Cl\n0.892508 0.772660 0.116249 Cl\n0.607492 0.227340 0.616249 Cl\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Zn",
"H",
"Cl"
],
"chemical_system": "Cl-H-K-Zn",
"density": 1.9871424643980802,
"density_atomic": 0.03388855096753814,
"volume": 708.2037831298721,
"volume_molar": 17.77042861988585,
"formula_full": "K4 Zn4 H4 Cl12",
"formula_reduced": "KZnHCl3",
"formula_anonymous": "ABCD3",
"energy": -73.42228874999999,
"energy_per_atom": -3.05926203125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05428875,
"band_gap": 1.0095,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9975699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.839000Z",
"spacegroup": 19
},
{
"id": "mp-1110578",
"created_at": "2022-09-04T14:48:30.219678Z",
"structure_string": "Li3 Nb1 F6\n1.0\n0.000000 4.045642 4.045642\n4.045642 0.000000 4.045642\n4.045642 4.045642 0.000000\nLi Nb F\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Nb\n0.742824 0.257176 0.257176 F\n0.257176 0.257176 0.742824 F\n0.257176 0.742824 0.742824 F\n0.257176 0.742824 0.257176 F\n0.742824 0.257176 0.742824 F\n0.742824 0.742824 0.257176 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Nb",
"F"
],
"chemical_system": "F-Li-Nb",
"density": 2.855338137846407,
"density_atomic": 0.07551055397843359,
"volume": 132.4318187740495,
"volume_molar": 7.975230537601368,
"formula_full": "Li3 Nb1 F6",
"formula_reduced": "Li3NbF6",
"formula_anonymous": "AB3C6",
"energy": -55.19842542,
"energy_per_atom": -5.519842542,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.42642542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0063991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.844000Z",
"spacegroup": 225
},
{
"id": "mp-1190754",
"created_at": "2022-09-04T14:48:31.666492Z",
"structure_string": "Cd2 B4 H16\n1.0\n5.864767 0.000000 0.000000\n0.000000 5.864767 0.000000\n0.000000 0.000000 6.172180\nCd B H\n2 4 16\ndirect\n0.500000 0.500000 0.491023 Cd\n0.000000 0.000000 0.991023 Cd\n0.235909 0.764091 0.729516 B\n0.764091 0.235909 0.729516 B\n0.735909 0.735909 0.229516 B\n0.264091 0.264091 0.229516 B\n0.045591 0.697850 0.786265 H\n0.954409 0.302150 0.786265 H\n0.545591 0.802150 0.286265 H\n0.454409 0.197850 0.286265 H\n0.302150 0.954409 0.786265 H\n0.697850 0.045591 0.786265 H\n0.802150 0.545591 0.286265 H\n0.197850 0.454409 0.286265 H\n0.372143 0.627857 0.808826 H\n0.627857 0.372143 0.808826 H\n0.872143 0.872143 0.308826 H\n0.127857 0.127857 0.308826 H\n0.222213 0.777787 0.533616 H\n0.777787 0.222213 0.533616 H\n0.722213 0.722213 0.033616 H\n0.277787 0.277787 0.033616 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"B",
"H"
],
"chemical_system": "B-Cd-H",
"density": 2.2229127997978835,
"density_atomic": 0.10362930183255845,
"volume": 212.29516759214525,
"volume_molar": 5.811233554125859,
"formula_full": "Cd2 B4 H16",
"formula_reduced": "Cd(BH4)2",
"formula_anonymous": "AB2C8",
"energy": -85.64889354,
"energy_per_atom": -3.8931315245454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.78489354,
"band_gap": 3.9565,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:59.866000Z",
"spacegroup": 102
},
{
"id": "mp-1176119",
"created_at": "2022-09-04T14:48:31.689818Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.943400 0.000000 0.000000\n0.473956 9.854197 0.000000\n1.246147 3.055570 9.982070\nLi Mn Co O\n9 2 5 16\ndirect\n0.925140 0.687207 0.130919 Li\n0.420912 0.178964 0.131410 Li\n0.316683 0.563596 0.379368 Li\n0.815193 0.056110 0.367103 Li\n0.689499 0.435996 0.624001 Li\n0.190681 0.937458 0.622446 Li\n0.069360 0.317676 0.871592 Li\n0.567767 0.815514 0.874220 Li\n0.387598 0.884340 0.249793 Li\n0.990757 0.997350 0.006810 Mn\n0.125052 0.624239 0.746013 Mn\n0.498114 0.498856 0.999864 Co\n0.872038 0.375404 0.251449 Co\n0.766025 0.754967 0.487995 Co\n0.248887 0.249974 0.502696 Co\n0.617737 0.122837 0.751349 Co\n0.489462 0.861961 0.055173 O\n0.958546 0.357356 0.059589 O\n0.830870 0.718571 0.334436 O\n0.331353 0.229797 0.311781 O\n0.195201 0.602817 0.565199 O\n0.716074 0.105045 0.569127 O\n0.561578 0.473380 0.811914 O\n0.052861 0.977759 0.817968 O\n0.415646 0.524159 0.189677 O\n0.918823 0.032870 0.170162 O\n0.785322 0.394399 0.441058 O\n0.311759 0.894876 0.443095 O\n0.185826 0.268245 0.690583 O\n0.691142 0.773893 0.674694 O\n0.503970 0.135957 0.936149 O\n0.050124 0.648426 0.932368 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1466476880976195,
"density_atomic": 0.11052457192343698,
"volume": 289.5283776549451,
"volume_molar": 5.448689513289119,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.97985375,
"energy_per_atom": -6.4993704296875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.46185375,
"band_gap": 0.0226999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9997509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.884000Z",
"spacegroup": 1
},
{
"id": "mp-1174162",
"created_at": "2022-09-04T14:48:30.758912Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.970755 0.000000 0.000000\n-0.377879 5.964570 0.000000\n-1.244884 -1.388473 10.135841\nLi Mn Co O\n6 2 2 10\ndirect\n0.996466 0.501081 0.997634 Li\n0.606339 0.310186 0.209982 Li\n0.397391 0.696711 0.795612 Li\n0.795405 0.891451 0.592611 Li\n0.207384 0.089701 0.406063 Li\n0.193361 0.612097 0.406055 Li\n0.005391 0.999973 0.996411 Mn\n0.609741 0.794016 0.207992 Mn\n0.790227 0.406392 0.590914 Co\n0.397317 0.201587 0.796455 Co\n0.466704 0.243191 0.991227 O\n0.122878 0.021087 0.194425 O\n0.862433 0.431657 0.784035 O\n0.268652 0.628491 0.601414 O\n0.688818 0.848891 0.386865 O\n0.540778 0.761191 0.007936 O\n0.083031 0.579336 0.201189 O\n0.928085 0.965891 0.803992 O\n0.329716 0.167208 0.609751 O\n0.709882 0.349862 0.419437 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.969973901660192,
"density_atomic": 0.11135871988808708,
"volume": 179.5997656950397,
"volume_molar": 5.407875347392743,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.38518032000002,
"energy_per_atom": -6.569259016000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.90318032,
"band_gap": 0.2757,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.937000Z",
"spacegroup": 1
},
{
"id": "mp-546079",
"created_at": "2022-09-04T14:48:31.662419Z",
"structure_string": "Mg2 C2 O6\n1.0\n2.925297 -4.254147 0.000000\n2.925297 4.254147 0.000000\n0.000000 0.000000 3.646814\nMg C O\n2 2 6\ndirect\n0.212427 0.787573 0.750000 Mg\n0.787573 0.212427 0.250000 Mg\n0.652548 0.652548 0.000000 C\n0.347452 0.347452 0.500000 C\n0.654060 0.893268 0.852531 O\n0.417192 0.582808 0.250000 O\n0.345940 0.106732 0.352531 O\n0.106732 0.345940 0.647469 O\n0.582808 0.417192 0.750000 O\n0.893268 0.654060 0.147469 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"C",
"O"
],
"chemical_system": "C-Mg-O",
"density": 3.084978942928656,
"density_atomic": 0.11017268470781566,
"volume": 90.76659996550487,
"volume_molar": 5.466092412988814,
"formula_full": "Mg2 C2 O6",
"formula_reduced": "MgCO3",
"formula_anonymous": "ABC3",
"energy": -72.05036177,
"energy_per_atom": -7.205036176999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.92836177,
"band_gap": 5.1395,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:59.953000Z",
"spacegroup": 20
},
{
"id": "mp-541483",
"created_at": "2022-09-04T14:48:30.587944Z",
"structure_string": "Rb6 Sc2 H12 O12\n1.0\n5.132763 -5.780933 0.000000\n5.132763 5.780933 0.000000\n-1.378191 0.000000 7.606907\nRb Sc H O\n6 2 12 12\ndirect\n0.867156 0.632844 0.250000 Rb\n0.632844 0.250000 0.867156 Rb\n0.250000 0.867156 0.632844 Rb\n0.132844 0.367156 0.750000 Rb\n0.367156 0.750000 0.132844 Rb\n0.750000 0.132844 0.367156 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.424020 0.376621 0.161841 H\n0.376621 0.161841 0.424020 H\n0.161841 0.424020 0.376621 H\n0.123379 0.075980 0.338159 H\n0.075980 0.338159 0.123379 H\n0.338159 0.123379 0.075980 H\n0.575980 0.623379 0.838159 H\n0.623379 0.838159 0.575980 H\n0.838159 0.575980 0.623379 H\n0.876621 0.924020 0.661841 H\n0.924020 0.661841 0.876621 H\n0.661841 0.876621 0.924020 H\n0.537817 0.409530 0.233863 O\n0.409530 0.233863 0.537817 O\n0.233863 0.537817 0.409530 O\n0.090470 0.962183 0.266137 O\n0.962183 0.266137 0.090470 O\n0.266137 0.090470 0.962183 O\n0.462183 0.590470 0.766137 O\n0.590470 0.766137 0.462183 O\n0.766137 0.462183 0.590470 O\n0.909530 0.037817 0.733863 O\n0.037817 0.733863 0.909530 O\n0.733863 0.909530 0.037817 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"H",
"O"
],
"chemical_system": "H-O-Rb-Sc",
"density": 2.9677775529796535,
"density_atomic": 0.07088636853801113,
"volume": 451.4267081242956,
"volume_molar": 8.495484934837323,
"formula_full": "Rb6 Sc2 H12 O12",
"formula_reduced": "Rb3Sc(HO)6",
"formula_anonymous": "AB3C6D6",
"energy": -177.63463537,
"energy_per_atom": -5.5510823553125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.39063537,
"band_gap": 3.5968,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:59.982000Z",
"spacegroup": 167
},
{
"id": "mp-1034945",
"created_at": "2022-09-04T14:48:14.843691Z",
"structure_string": "Rb1 Hf1 Mg14 O15\n1.0\n12.451267 0.000000 0.000000\n0.000000 7.835375 0.000000\n0.000000 0.000000 4.172773\nRb Hf Mg O\n1 1 14 15\ndirect\n0.063820 0.000000 0.000000 Rb\n0.038700 0.500000 0.000000 Hf\n0.533527 0.000000 0.000000 Mg\n0.542568 0.500000 0.000000 Mg\n0.924151 0.246740 0.500000 Mg\n0.924151 0.753260 0.500000 Mg\n0.481391 0.262480 0.500000 Mg\n0.481391 0.737520 0.500000 Mg\n0.322394 0.000000 0.500000 Mg\n0.230350 0.500000 0.500000 Mg\n0.751703 0.000000 0.500000 Mg\n0.702325 0.500000 0.500000 Mg\n0.313952 0.262003 0.000000 Mg\n0.313952 0.737997 -0.000000 Mg\n0.759901 0.257904 0.000000 Mg\n0.759901 0.742096 -0.000000 Mg\n0.210290 0.500000 0.000000 O\n0.703092 0.000000 0.000000 O\n0.702688 0.500000 0.000000 O\n0.315161 0.276053 0.500000 O\n0.315161 0.723947 0.500000 O\n0.762019 0.261459 0.500000 O\n0.762019 0.738541 0.500000 O\n0.919844 0.000000 0.500000 O\n0.047899 0.500000 0.500000 O\n0.495924 0.000000 0.500000 O\n0.541785 0.500000 0.500000 O\n0.932854 0.307867 0.000000 O\n0.932854 0.692133 -0.000000 O\n0.482115 0.259915 0.000000 O\n0.482115 0.740085 -0.000000 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Rb",
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-Mg-O-Rb",
"density": 3.4435470758441222,
"density_atomic": 0.07614889428654878,
"volume": 407.097178369351,
"volume_molar": 7.908375842384062,
"formula_full": "Rb1 Hf1 Mg14 O15",
"formula_reduced": "RbHfMg14O15",
"formula_anonymous": "ABC14D15",
"energy": -192.80464015,
"energy_per_atom": -6.219504520967742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.49964015,
"band_gap": 1.6565000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.3270245,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:00.017000Z",
"spacegroup": 25
},
{
"id": "mp-1199021",
"created_at": "2022-09-04T14:48:30.235383Z",
"structure_string": "Nd4 Zn34\n1.0\n9.081843 0.000000 0.000000\n-4.540922 7.865107 0.000000\n0.000000 0.000000 8.753003\nNd Zn\n4 34\ndirect\n0.000000 0.000000 0.250000 Nd\n0.000000 0.000000 0.750000 Nd\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.400873 Zn\n0.666667 0.333333 0.599127 Zn\n0.666667 0.333333 0.900873 Zn\n0.333333 0.666667 0.099127 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.329452 0.366815 0.250000 Zn\n0.633185 0.962637 0.250000 Zn\n0.037363 0.670548 0.250000 Zn\n0.633185 0.670548 0.250000 Zn\n0.037363 0.366815 0.250000 Zn\n0.329452 0.962637 0.250000 Zn\n0.670548 0.633185 0.750000 Zn\n0.366815 0.037363 0.750000 Zn\n0.962637 0.329452 0.750000 Zn\n0.366815 0.329452 0.750000 Zn\n0.962637 0.633185 0.750000 Zn\n0.670548 0.037363 0.750000 Zn\n0.161796 0.838204 0.517418 Zn\n0.161796 0.323593 0.517418 Zn\n0.676407 0.838204 0.517418 Zn\n0.838204 0.161796 0.482582 Zn\n0.838204 0.676407 0.482582 Zn\n0.323593 0.161796 0.482582 Zn\n0.838204 0.161796 0.017418 Zn\n0.838204 0.676407 0.017418 Zn\n0.323593 0.161796 0.017418 Zn\n0.161796 0.838204 0.982582 Zn\n0.161796 0.323593 0.982582 Zn\n0.676407 0.838204 0.982582 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Nd",
"Zn"
],
"chemical_system": "Nd-Zn",
"density": 7.438869964460889,
"density_atomic": 0.06077820842345758,
"volume": 625.2240891216161,
"volume_molar": 9.90838808219252,
"formula_full": "Nd4 Zn34",
"formula_reduced": "Nd2Zn17",
"formula_anonymous": "A2B17",
"energy": -71.88070349,
"energy_per_atom": -1.891597460263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.88070349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0381928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:00.033000Z",
"spacegroup": 194
},
{
"id": "mp-1207121",
"created_at": "2022-09-04T14:48:31.165735Z",
"structure_string": "Fe2 Si1 Ni1\n1.0\n0.000000 2.819529 2.819529\n2.819529 0.000000 2.819529\n2.819529 2.819529 0.000000\nFe Si Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Si",
"Ni"
],
"chemical_system": "Fe-Ni-Si",
"density": 7.351599963364856,
"density_atomic": 0.08922782321238963,
"volume": 44.82906627094075,
"volume_molar": 6.749173680574337,
"formula_full": "Fe2 Si1 Ni1",
"formula_reduced": "Fe2SiNi",
"formula_anonymous": "ABC2",
"energy": -29.28225629,
"energy_per_atom": -7.3205640725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.35325629,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8192629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:00.037000Z",
"spacegroup": 216
},
{
"id": "mp-22773",
"created_at": "2022-09-04T14:48:30.924902Z",
"structure_string": "Cu2 W2 O8\n1.0\n4.733088 0.000000 0.000000\n0.293494 4.969397 0.000000\n0.696033 0.262067 5.879169\nCu W O\n2 2 8\ndirect\n0.501426 0.253038 0.339262 Cu\n0.498574 0.746962 0.660738 Cu\n0.991871 0.253145 0.829640 W\n0.008129 0.746855 0.170360 W\n0.749185 0.427292 0.646625 O\n0.250815 0.572708 0.353375 O\n0.783718 0.430487 0.119495 O\n0.216282 0.569513 0.880505 O\n0.270155 0.092228 0.616298 O\n0.729845 0.907772 0.383702 O\n0.215565 0.056424 0.090059 O\n0.784435 0.943576 0.909941 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W",
"density": 7.4784330741501845,
"density_atomic": 0.08677947711890183,
"volume": 138.2815430376248,
"volume_molar": 6.939590972354789,
"formula_full": "Cu2 W2 O8",
"formula_reduced": "CuWO4",
"formula_anonymous": "ABC4",
"energy": -94.10875596,
"energy_per_atom": -7.84239633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.73675596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004961,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:00.079000Z",
"spacegroup": 2
},
{
"id": "mp-1212027",
"created_at": "2022-09-04T14:48:19.432055Z",
"structure_string": "La8 Mg2 Si8 C8 O44\n1.0\n5.550576 0.000000 0.000000\n0.000000 11.919186 0.000000\n0.000000 6.158446 12.946823\nLa Mg Si C O\n8 2 8 8 44\ndirect\n0.034486 0.757947 0.549945 La\n0.965514 0.242053 0.450055 La\n0.534486 0.242053 0.950055 La\n0.465514 0.757947 0.049945 La\n0.008600 0.234833 0.737472 La\n0.991400 0.765167 0.262528 La\n0.508600 0.765167 0.762528 La\n0.491400 0.234833 0.237472 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.994419 0.947603 0.662595 Si\n0.005581 0.052397 0.337405 Si\n0.494419 0.052397 0.837405 Si\n0.505581 0.947603 0.162595 Si\n0.999131 0.761113 0.909780 Si\n0.000869 0.238887 0.090220 Si\n0.499131 0.238887 0.590220 Si\n0.500869 0.761113 0.409780 Si\n0.336940 0.461602 0.011474 C\n0.663060 0.538398 0.988526 C\n0.836940 0.538398 0.488526 C\n0.163060 0.461602 0.511474 C\n0.014675 0.408301 0.835753 C\n0.985325 0.591699 0.164247 C\n0.514675 0.591699 0.664247 C\n0.485325 0.408301 0.335753 C\n0.991320 0.832979 0.981651 O\n0.008680 0.167021 0.018349 O\n0.491320 0.167021 0.518349 O\n0.508680 0.832979 0.481651 O\n0.236175 0.339055 0.557207 O\n0.763825 0.660945 0.442793 O\n0.736175 0.660945 0.942793 O\n0.263825 0.339055 0.057207 O\n0.776764 0.913176 0.602258 O\n0.223236 0.086824 0.397742 O\n0.276764 0.086824 0.897742 O\n0.723236 0.913176 0.102258 O\n0.933039 0.844059 0.785770 O\n0.066961 0.155941 0.214230 O\n0.433039 0.155941 0.714230 O\n0.566961 0.844059 0.285770 O\n0.254487 0.697512 0.916245 O\n0.745513 0.302488 0.083755 O\n0.754487 0.302488 0.583755 O\n0.245513 0.697512 0.416245 O\n0.244275 0.899889 0.628188 O\n0.755725 0.100111 0.371812 O\n0.744275 0.100111 0.871812 O\n0.255725 0.899889 0.128188 O\n0.217795 0.357481 0.821203 O\n0.782205 0.642519 0.178797 O\n0.717795 0.642519 0.678797 O\n0.282205 0.357481 0.321203 O\n0.499790 0.909998 0.856167 O\n0.500210 0.090002 0.143833 O\n0.999790 0.090002 0.643833 O\n0.000210 0.909998 0.356167 O\n0.505478 0.511689 0.631773 O\n0.494522 0.488311 0.368227 O\n0.005478 0.488311 0.868227 O\n0.994522 0.511689 0.131773 O\n0.009633 0.504033 0.568591 O\n0.990367 0.495967 0.431409 O\n0.509633 0.495967 0.931409 O\n0.490367 0.504033 0.068591 O\n0.314627 0.639933 0.686762 O\n0.685373 0.360067 0.313238 O\n0.814627 0.360067 0.813238 O\n0.185373 0.639933 0.186762 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
"La",
"Mg",
"Si",
"C",
"O"
],
"chemical_system": "C-La-Mg-O-Si",
"density": 4.23518671077809,
"density_atomic": 0.08172410607126684,
"volume": 856.540418306406,
"volume_molar": 7.36886709381494,
"formula_full": "La8 Mg2 Si8 C8 O44",
"formula_reduced": "La4MgSi4(C2O11)2",
"formula_anonymous": "AB4C4D4E22",
"energy": -572.1747451599999,
"energy_per_atom": -8.173924930857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -541.94674516,
"band_gap": 1.6322,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:00.112000Z",
"spacegroup": 14
}
]
}