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=is_stable&page=5",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=3",
"results": [
{
"id": "mp-768489",
"created_at": "2022-09-04T14:39:58.485288Z",
"structure_string": "Mg24 W8 O48\n1.0\n9.960548 0.000000 0.000000\n0.000000 9.960548 0.000000\n0.000000 0.000000 9.960548\nMg W O\n24 8 48\ndirect\n0.092508 0.754340 0.131413 Mg\n0.092508 0.745660 0.631413 Mg\n0.131413 0.092508 0.754340 Mg\n0.131413 0.407492 0.254340 Mg\n0.254340 0.368587 0.907492 Mg\n0.254340 0.131413 0.407492 Mg\n0.245660 0.868587 0.907492 Mg\n0.245660 0.631413 0.407492 Mg\n0.368587 0.907492 0.254340 Mg\n0.368587 0.592508 0.754340 Mg\n0.407492 0.254340 0.131413 Mg\n0.407492 0.245660 0.631413 Mg\n0.592508 0.754340 0.368587 Mg\n0.592508 0.745660 0.868587 Mg\n0.631413 0.407492 0.245660 Mg\n0.631413 0.092508 0.745660 Mg\n0.754340 0.131413 0.092508 Mg\n0.754340 0.368587 0.592508 Mg\n0.745660 0.631413 0.092508 Mg\n0.745660 0.868587 0.592508 Mg\n0.868587 0.592508 0.745660 Mg\n0.868587 0.907492 0.245660 Mg\n0.907492 0.254340 0.368587 Mg\n0.907492 0.245660 0.868587 Mg\n0.122716 0.122716 0.122716 W\n0.122716 0.377284 0.622716 W\n0.377284 0.622716 0.122716 W\n0.377284 0.877284 0.622716 W\n0.622716 0.122716 0.377284 W\n0.622716 0.377284 0.877284 W\n0.877284 0.622716 0.377284 W\n0.877284 0.877284 0.877284 W\n0.043637 0.692940 0.437794 O\n0.043637 0.807060 0.937794 O\n0.062206 0.956363 0.192940 O\n0.062206 0.543637 0.692940 O\n0.092138 0.209306 0.305929 O\n0.092138 0.290694 0.805929 O\n0.192940 0.437794 0.456363 O\n0.192940 0.062206 0.956363 O\n0.194071 0.907862 0.709306 O\n0.194071 0.592138 0.209306 O\n0.209306 0.305929 0.092138 O\n0.209306 0.194071 0.592138 O\n0.290694 0.805929 0.092138 O\n0.290694 0.694071 0.592138 O\n0.305929 0.092138 0.209306 O\n0.305929 0.407862 0.709306 O\n0.307060 0.562206 0.956363 O\n0.307060 0.937794 0.456363 O\n0.407862 0.709306 0.305929 O\n0.407862 0.790694 0.805929 O\n0.437794 0.043637 0.692940 O\n0.437794 0.456363 0.192940 O\n0.456363 0.192940 0.437794 O\n0.456363 0.307060 0.937794 O\n0.543637 0.692940 0.062206 O\n0.543637 0.807060 0.562206 O\n0.562206 0.956363 0.307060 O\n0.562206 0.543637 0.807060 O\n0.592138 0.209306 0.194071 O\n0.592138 0.290694 0.694071 O\n0.692940 0.062206 0.543637 O\n0.692940 0.437794 0.043637 O\n0.694071 0.592138 0.290694 O\n0.694071 0.907862 0.790694 O\n0.709306 0.305929 0.407862 O\n0.709306 0.194071 0.907862 O\n0.790694 0.694071 0.907862 O\n0.790694 0.805929 0.407862 O\n0.805929 0.092138 0.290694 O\n0.805929 0.407862 0.790694 O\n0.807060 0.562206 0.543637 O\n0.807060 0.937794 0.043637 O\n0.907862 0.709306 0.194071 O\n0.907862 0.790694 0.694071 O\n0.937794 0.043637 0.807060 O\n0.937794 0.456363 0.307060 O\n0.956363 0.192940 0.062206 O\n0.956363 0.307060 0.562206 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 4.741962688460113,
"density_atomic": 0.08095436842615913,
"volume": 988.2110324036479,
"volume_molar": 7.438932422149611,
"formula_full": "Mg24 W8 O48",
"formula_reduced": "Mg3WO6",
"formula_anonymous": "AB3C6",
"energy": -595.35610825,
"energy_per_atom": -7.441951353125001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -526.87610825,
"band_gap": 3.9309,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.521000Z",
"spacegroup": 205
},
{
"id": "mp-1044337",
"created_at": "2022-09-04T14:39:58.491755Z",
"structure_string": "Mn12 Zn4 O28\n1.0\n5.552359 0.000000 0.000000\n0.000000 9.344387 0.000000\n0.000000 0.000000 10.447421\nMn Zn O\n12 4 28\ndirect\n0.727332 0.706343 0.977219 Mn\n0.227332 0.793657 0.022781 Mn\n0.272668 0.293657 0.477219 Mn\n0.772668 0.206343 0.522781 Mn\n0.727484 0.760153 0.250000 Mn\n0.227484 0.739847 0.750000 Mn\n0.272516 0.239847 0.750000 Mn\n0.772516 0.260153 0.250000 Mn\n0.227332 0.793657 0.477219 Mn\n0.727332 0.706343 0.522781 Mn\n0.772668 0.206343 0.977219 Mn\n0.272668 0.293657 0.022781 Mn\n0.382467 0.009689 0.250000 Zn\n0.882467 0.490311 0.750000 Zn\n0.617533 0.990311 0.750000 Zn\n0.117533 0.509689 0.250000 Zn\n0.040194 0.289527 0.881031 O\n0.540194 0.210473 0.118969 O\n0.959806 0.710473 0.381031 O\n0.459806 0.789527 0.618969 O\n0.959806 0.710473 0.118969 O\n0.459806 0.789527 0.881031 O\n0.040194 0.289527 0.618969 O\n0.540194 0.210473 0.381031 O\n0.501012 0.277088 0.884257 O\n0.001012 0.222912 0.115743 O\n0.498988 0.722912 0.384257 O\n0.998988 0.777088 0.615743 O\n0.498988 0.722912 0.115743 O\n0.998988 0.777088 0.884257 O\n0.501012 0.277088 0.615743 O\n0.001012 0.222912 0.384257 O\n0.780883 0.447164 0.250000 O\n0.280883 0.052836 0.750000 O\n0.219117 0.552836 0.750000 O\n0.719117 0.947164 0.250000 O\n0.772396 0.033418 0.587902 O\n0.272396 0.466582 0.412098 O\n0.227604 0.966582 0.087902 O\n0.727604 0.533418 0.912098 O\n0.227604 0.966582 0.412098 O\n0.727604 0.533418 0.587902 O\n0.772396 0.033418 0.912098 O\n0.272396 0.466582 0.087902 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.1934905937378595,
"density_atomic": 0.081173678200909,
"volume": 542.0476313897931,
"volume_molar": 7.418834397395292,
"formula_full": "Mn12 Zn4 O28",
"formula_reduced": "Mn3ZnO7",
"formula_anonymous": "AB3C7",
"energy": -319.65239642,
"energy_per_atom": -7.264827191363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.40039642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.9992164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.840000Z",
"spacegroup": 62
},
{
"id": "mp-1186393",
"created_at": "2022-09-04T14:39:58.494482Z",
"structure_string": "Np1 Sc3\n1.0\n-2.252436 2.252436 4.781832\n2.252436 -2.252436 4.781832\n2.252436 2.252436 -4.781832\nNp Sc\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Sc\n0.250000 0.750000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"Sc"
],
"chemical_system": "Np-Sc",
"density": 6.36324100154623,
"density_atomic": 0.04121931461605205,
"volume": 97.04188527293655,
"volume_molar": 14.609997318234873,
"formula_full": "Np1 Sc3",
"formula_reduced": "NpSc3",
"formula_anonymous": "AB3",
"energy": -30.59443514,
"energy_per_atom": -7.648608785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.59443514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0571842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.090000Z",
"spacegroup": 139
},
{
"id": "mp-557653",
"created_at": "2022-09-04T14:39:58.494806Z",
"structure_string": "Si4 O8\n1.0\n5.659033 0.000000 0.000000\n0.000000 4.946422 0.000000\n0.000000 1.720916 5.107229\nSi O\n4 8\ndirect\n0.500000 0.543955 0.460729 Si\n0.000000 0.529593 0.488003 Si\n0.000000 0.958036 0.775137 Si\n0.500000 0.012944 0.971463 Si\n0.754980 0.455825 0.357887 O\n0.737558 0.859461 0.898507 O\n0.500000 0.356929 0.783977 O\n0.262442 0.859461 0.898507 O\n0.500000 0.900909 0.301200 O\n0.245020 0.455825 0.357887 O\n0.000000 0.849180 0.514559 O\n0.000000 0.289983 0.775124 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.7915883146405287,
"density_atomic": 0.08393875495202276,
"volume": 142.96137709999263,
"volume_molar": 7.174446134496636,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -96.92725442999998,
"energy_per_atom": -8.077271202499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.43125443,
"band_gap": 4.0886000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003336,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.489000Z",
"spacegroup": 6
},
{
"id": "mp-639659",
"created_at": "2022-09-04T14:39:58.500695Z",
"structure_string": "In1 Cu1 Pt2\n1.0\n4.084709 0.000000 0.000000\n0.000000 4.084709 0.000000\n0.000000 0.000000 3.837882\nIn Cu Pt\n1 1 2\ndirect\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Cu",
"Pt"
],
"chemical_system": "Cu-In-Pt",
"density": 14.743145422176786,
"density_atomic": 0.06246634983303,
"volume": 64.03447633312715,
"volume_molar": 9.64061574927451,
"formula_full": "In1 Cu1 Pt2",
"formula_reduced": "InCuPt2",
"formula_anonymous": "ABC2",
"energy": -20.40951784,
"energy_per_atom": -5.10237946,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.40951784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.369000Z",
"spacegroup": 123
},
{
"id": "mp-1184130",
"created_at": "2022-09-04T14:39:58.503627Z",
"structure_string": "Er2 Tc1 Ag1\n1.0\n0.000000 3.485798 3.485798\n3.485798 0.000000 3.485798\n3.485798 3.485798 0.000000\nEr Tc Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tc",
"Ag"
],
"chemical_system": "Ag-Er-Tc",
"density": 10.592944635483825,
"density_atomic": 0.047219713367821534,
"volume": 84.71038290388798,
"volume_molar": 12.753446242017773,
"formula_full": "Er2 Tc1 Ag1",
"formula_reduced": "Er2TcAg",
"formula_anonymous": "ABC2",
"energy": -22.98482275,
"energy_per_atom": -5.7462056875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.98482275,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.973000Z",
"spacegroup": 225
},
{
"id": "mp-555857",
"created_at": "2022-09-04T14:39:58.504275Z",
"structure_string": "Ba2 V2 S6\n1.0\n3.375547 -5.905340 0.000000\n3.375547 5.905340 0.000000\n0.000000 0.000000 5.632233\nBa V S\n2 2 6\ndirect\n0.331291 0.668709 0.250000 Ba\n0.668709 0.331291 0.750000 Ba\n0.961105 0.961105 0.500000 V\n0.038895 0.038895 0.000000 V\n0.839032 0.160968 0.250000 S\n0.166106 0.329265 0.738567 S\n0.160968 0.839032 0.750000 S\n0.670735 0.833894 0.761433 S\n0.833894 0.670735 0.238567 S\n0.329265 0.166106 0.261433 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"V",
"S"
],
"chemical_system": "Ba-S-V",
"density": 4.207324093345653,
"density_atomic": 0.0445348839514083,
"volume": 224.5430797778867,
"volume_molar": 13.52230033106343,
"formula_full": "Ba2 V2 S6",
"formula_reduced": "BaVS3",
"formula_anonymous": "ABC3",
"energy": -63.48760177,
"energy_per_atom": -6.348760177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.46960177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2586917,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.943000Z",
"spacegroup": 20
},
{
"id": "mp-1208418",
"created_at": "2022-09-04T14:39:58.810473Z",
"structure_string": "Tb10 Bi2 Pt4\n1.0\n-3.921386 3.921386 6.946772\n3.921386 -3.921386 6.946772\n3.921386 3.921386 -6.946772\nTb Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.792711 0.292711 0.813960 Tb\n0.207289 0.707289 0.186040 Tb\n0.478750 0.978750 0.186040 Tb\n0.292711 0.478750 0.500000 Tb\n0.021250 0.207289 0.500000 Tb\n0.521250 0.021250 0.813960 Tb\n0.707289 0.521250 0.500000 Tb\n0.978750 0.792711 0.500000 Tb\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.137561 0.637561 0.775123 Pt\n0.862439 0.362439 0.224877 Pt\n0.637561 0.862439 0.500000 Pt\n0.362439 0.137561 0.500000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Pt"
],
"chemical_system": "Bi-Pt-Tb",
"density": 10.833021018257494,
"density_atomic": 0.037445338267384096,
"volume": 427.289503589194,
"volume_molar": 16.082484599279073,
"formula_full": "Tb10 Bi2 Pt4",
"formula_reduced": "Tb5BiPt2",
"formula_anonymous": "AB2C5",
"energy": -92.96821462,
"energy_per_atom": -5.81051341375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.96821462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.443000Z",
"spacegroup": 140
},
{
"id": "mp-773043",
"created_at": "2022-09-04T14:39:58.504766Z",
"structure_string": "Li8 Fe16 O32\n1.0\n8.313051 0.000168 -0.011238\n0.000180 8.325810 0.004567\n-0.011406 0.004882 8.311271\nLi Fe O\n8 16 32\ndirect\n0.120818 0.874392 0.375263 Li\n0.253322 0.751334 0.744906 Li\n0.249355 0.251484 0.244694 Li\n0.376337 0.123306 0.878925 Li\n0.623089 0.626291 0.620681 Li\n0.754889 0.748816 0.251745 Li\n0.751953 0.249280 0.747728 Li\n0.878886 0.374437 0.125120 Li\n0.997633 0.501722 0.498919 Fe\n0.119794 0.620139 0.122686 Fe\n0.119559 0.378692 0.880647 Fe\n0.125664 0.120968 0.622026 Fe\n0.373727 0.881297 0.123953 Fe\n0.377999 0.620341 0.378621 Fe\n0.379947 0.377217 0.625114 Fe\n0.497100 0.497556 0.003829 Fe\n0.501281 0.995228 0.503482 Fe\n0.621886 0.879673 0.879989 Fe\n0.622693 0.122253 0.123501 Fe\n0.622630 0.377359 0.378083 Fe\n0.873136 0.620468 0.877181 Fe\n0.876638 0.879329 0.621029 Fe\n0.875784 0.122944 0.378671 Fe\n0.997730 0.003355 0.002529 Fe\n0.095302 0.130360 0.382716 O\n0.097238 0.886620 0.627042 O\n0.121863 0.610157 0.892346 O\n0.125046 0.394340 0.104735 O\n0.121856 0.144174 0.871978 O\n0.129535 0.369104 0.637205 O\n0.139497 0.619455 0.357957 O\n0.134502 0.861521 0.120416 O\n0.362716 0.131043 0.617269 O\n0.359158 0.376794 0.865421 O\n0.360648 0.629676 0.138620 O\n0.382985 0.854104 0.366674 O\n0.373336 0.614564 0.596984 O\n0.390411 0.390256 0.378671 O\n0.401893 0.114060 0.129733 O\n0.403452 0.873554 0.885243 O\n0.615296 0.375234 0.599042 O\n0.603463 0.602544 0.368025 O\n0.622448 0.890659 0.109731 O\n0.628379 0.105728 0.897799 O\n0.624056 0.357515 0.139119 O\n0.636319 0.135543 0.364841 O\n0.641739 0.878069 0.644996 O\n0.634370 0.635521 0.884786 O\n0.856346 0.361530 0.377100 O\n0.858475 0.121964 0.143361 O\n0.862831 0.870681 0.864541 O\n0.876090 0.646533 0.629572 O\n0.868426 0.897771 0.396564 O\n0.878062 0.110332 0.608101 O\n0.899214 0.386840 0.873434 O\n0.903197 0.625948 0.116735 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 4.217493638957693,
"density_atomic": 0.09734969358517494,
"volume": 575.2457756942345,
"volume_molar": 6.186091130046547,
"formula_full": "Li8 Fe16 O32",
"formula_reduced": "Li(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -399.91229823,
"energy_per_atom": -7.141291039821428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -341.83229823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 70.0000433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.911000Z",
"spacegroup": 1
},
{
"id": "mp-1206924",
"created_at": "2022-09-04T14:39:58.532588Z",
"structure_string": "Ba1 Zn2 Ge2\n1.0\n-2.289810 2.289810 5.349431\n2.289810 -2.289810 5.349431\n2.289810 2.289810 -5.349431\nBa Zn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.376132 0.376132 0.000000 Ge\n0.623868 0.623868 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Ge"
],
"chemical_system": "Ba-Ge-Zn",
"density": 6.118984537360575,
"density_atomic": 0.04456598682346644,
"volume": 112.19318490143306,
"volume_molar": 13.51286303578273,
"formula_full": "Ba1 Zn2 Ge2",
"formula_reduced": "Ba(ZnGe)2",
"formula_anonymous": "AB2C2",
"energy": -15.61780455,
"energy_per_atom": -3.12356091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.61780455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.409000Z",
"spacegroup": 139
},
{
"id": "mp-28222",
"created_at": "2022-09-04T14:39:58.538728Z",
"structure_string": "Rb3 Sb2 Br9\n1.0\n4.025304 -6.972032 0.000000\n4.025304 6.972032 0.000000\n0.000000 0.000000 9.776179\nRb Sb Br\n3 2 9\ndirect\n0.000000 0.000000 0.000000 Rb\n0.666667 0.333333 0.669764 Rb\n0.333333 0.666667 0.330236 Rb\n0.666667 0.333333 0.187992 Sb\n0.333333 0.666667 0.812008 Sb\n0.827844 0.172156 0.338797 Br\n0.827844 0.655688 0.338797 Br\n0.344312 0.172156 0.338797 Br\n0.655688 0.827844 0.661203 Br\n0.172156 0.344312 0.661203 Br\n0.500000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.172156 0.827844 0.661203 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Br"
],
"chemical_system": "Br-Rb-Sb",
"density": 3.6890689124207747,
"density_atomic": 0.025513546903671462,
"volume": 548.7280954254685,
"volume_molar": 23.60369878299203,
"formula_full": "Rb3 Sb2 Br9",
"formula_reduced": "Rb3Sb2Br9",
"formula_anonymous": "A2B3C9",
"energy": -46.89375664,
"energy_per_atom": -3.3495540457142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.08775664,
"band_gap": 1.9051,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0043489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.864000Z",
"spacegroup": 164
},
{
"id": "mp-1211036",
"created_at": "2022-09-04T14:39:58.386930Z",
"structure_string": "Lu8 B24 Rh4\n1.0\n3.596542 0.000000 0.000000\n0.000000 9.074258 0.000000\n0.000000 0.000000 11.390068\nLu B Rh\n8 24 4\ndirect\n0.500000 0.321634 0.413295 Lu\n0.500000 0.678366 0.586705 Lu\n0.500000 0.178366 0.913295 Lu\n0.500000 0.821634 0.086705 Lu\n0.500000 0.444911 0.125952 Lu\n0.500000 0.555089 0.874048 Lu\n0.500000 0.055089 0.625952 Lu\n0.500000 0.944911 0.374048 Lu\n0.000000 0.108876 0.470043 B\n0.000000 0.891124 0.529957 B\n0.000000 0.391124 0.970043 B\n0.000000 0.608876 0.029957 B\n0.000000 0.133794 0.316057 B\n0.000000 0.866206 0.683943 B\n0.000000 0.366206 0.816057 B\n0.000000 0.633794 0.183943 B\n0.000000 0.053359 0.065499 B\n0.000000 0.946641 0.934501 B\n0.000000 0.446641 0.565499 B\n0.000000 0.553359 0.434501 B\n0.000000 0.482440 0.287919 B\n0.000000 0.517560 0.712081 B\n0.000000 0.017560 0.787919 B\n0.000000 0.982440 0.212081 B\n0.000000 0.251032 0.079095 B\n0.000000 0.748968 0.920905 B\n0.000000 0.248968 0.579095 B\n0.000000 0.751032 0.420905 B\n0.000000 0.295825 0.235533 B\n0.000000 0.704175 0.764467 B\n0.000000 0.204175 0.735533 B\n0.000000 0.795825 0.264467 B\n0.500000 0.140435 0.178880 Rh\n0.500000 0.859565 0.821120 Rh\n0.500000 0.359565 0.678880 Rh\n0.500000 0.640435 0.321120 Rh\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Lu",
"B",
"Rh"
],
"chemical_system": "B-Lu-Rh",
"density": 9.250586989747166,
"density_atomic": 0.09684560678942052,
"volume": 371.7256899249731,
"volume_molar": 6.2182900801008385,
"formula_full": "Lu8 B24 Rh4",
"formula_reduced": "Lu2B6Rh",
"formula_anonymous": "AB2C6",
"energy": -250.65124985,
"energy_per_atom": -6.962534718055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.65124985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.287000Z",
"spacegroup": 55
}
]
}