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=-energy_per_atom&page=11514",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=11512",
"results": [
{
"id": "mp-1516435",
"created_at": "2022-09-04T14:41:17.683407Z",
"structure_string": "La1 Eu2 Sb1 O6\n1.0\n-0.000000 -4.311812 -4.311812\n4.311812 0.000000 -4.311812\n4.311812 -4.311812 -0.000000\nLa Eu Sb O\n1 2 1 6\ndirect\n0.000000 0.000000 -0.000000 La\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Sb\n0.731362 0.268638 0.268638 O\n0.268638 0.731362 0.731362 O\n0.731362 0.268638 0.731362 O\n0.268638 0.731362 0.268638 O\n0.731362 0.731362 0.268638 O\n0.268638 0.268638 0.731362 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Eu",
"Sb",
"O"
],
"chemical_system": "Eu-La-O-Sb",
"density": 6.841818686338883,
"density_atomic": 0.06237212689587521,
"volume": 160.32802627837467,
"volume_molar": 9.65517942021351,
"formula_full": "La1 Eu2 Sb1 O6",
"formula_reduced": "LaEu2SbO6",
"formula_anonymous": "ABC2D6",
"energy": -88.12652453,
"energy_per_atom": -8.812652453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.00452453,
"band_gap": 0.4279000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.238000Z",
"spacegroup": 225
},
{
"id": "mp-1234644",
"created_at": "2022-09-04T14:42:47.322564Z",
"structure_string": "Ca1 Ti3 V5 O16\n1.0\n6.012222 -0.111618 -0.084563\n-3.104346 5.274158 0.047230\n-0.069528 0.022449 10.572010\nCa Ti V O\n1 3 5 16\ndirect\n0.315752 0.656946 0.444296 Ca\n0.056402 0.751138 0.155895 Ti\n0.337157 0.363718 0.168036 Ti\n0.334151 0.167309 0.692244 Ti\n0.327745 0.663686 0.749778 V\n0.659448 0.995253 0.172908 V\n0.659459 0.300842 0.959611 V\n0.822896 0.159488 0.707047 V\n0.831322 0.676265 0.723949 V\n0.167006 0.826872 0.626023 O\n0.011249 0.601926 0.298465 O\n0.352301 0.675966 0.115923 O\n0.002766 0.027402 0.197535 O\n0.995694 0.983406 0.802922 O\n0.175702 0.348898 0.627386 O\n0.592304 0.013608 0.323557 O\n0.430312 0.430772 0.321064 O\n0.400652 0.099391 0.086905 O\n0.631901 0.808541 0.632092 O\n0.509055 0.461667 0.825040 O\n0.503481 0.022344 0.820477 O\n0.658636 0.344524 0.617703 O\n0.722256 0.571735 0.071882 O\n0.967398 0.487856 0.819496 O\n0.878706 0.237728 0.034059 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"V",
"O"
],
"chemical_system": "Ca-O-Ti-V",
"density": 3.47785317649459,
"density_atomic": 0.07540617126916732,
"volume": 331.5378513352819,
"volume_molar": 7.986270432036088,
"formula_full": "Ca1 Ti3 V5 O16",
"formula_reduced": "CaTi3V5O16",
"formula_anonymous": "AB3C5D16",
"energy": -220.31838048,
"energy_per_atom": -8.8127352192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.82638048000004,
"band_gap": 1.2749,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.997948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.395000Z",
"spacegroup": 1
},
{
"id": "mp-1205609",
"created_at": "2022-09-04T14:42:58.285486Z",
"structure_string": "Pr2 P2 Os4 C2\n1.0\n1.983167 -5.529469 0.000000\n1.983167 5.529469 0.000000\n0.000000 0.000000 7.147218\nPr P Os C\n2 2 4 2\ndirect\n0.545996 0.454004 0.250000 Pr\n0.454004 0.545996 0.750000 Pr\n0.269784 0.730216 0.250000 P\n0.730216 0.269784 0.750000 P\n0.832209 0.167791 0.053542 Os\n0.167791 0.832209 0.946458 Os\n0.167791 0.832209 0.553542 Os\n0.832209 0.167791 0.446458 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Pr",
"P",
"Os",
"C"
],
"chemical_system": "C-Os-P-Pr",
"density": 11.956925092640882,
"density_atomic": 0.06379553160026383,
"volume": 156.7507903634844,
"volume_molar": 9.439753238101547,
"formula_full": "Pr2 P2 Os4 C2",
"formula_reduced": "PrPOs2C",
"formula_anonymous": "ABCD2",
"energy": -88.12775554,
"energy_per_atom": -8.812775554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.12775554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.270000Z",
"spacegroup": 63
},
{
"id": "mp-556455",
"created_at": "2022-09-04T14:43:18.829154Z",
"structure_string": "Y8 Mo12 O48\n1.0\n10.525535 0.000000 0.000000\n0.000000 10.541878 0.000000\n0.000000 0.000000 10.734998\nY Mo O\n8 12 48\ndirect\n0.687952 0.000931 0.740927 Y\n0.312048 0.999069 0.740927 Y\n0.812048 0.500931 0.740927 Y\n0.497216 0.312002 0.266447 Y\n0.002784 0.812002 0.266447 Y\n0.187952 0.499069 0.740927 Y\n0.997216 0.187998 0.266447 Y\n0.502784 0.687998 0.266447 Y\n0.752591 0.752072 0.003440 Mo\n0.998076 0.793176 0.646899 Mo\n0.501924 0.293176 0.646899 Mo\n0.747409 0.252072 0.003440 Mo\n0.293781 0.992351 0.359806 Mo\n0.793781 0.507649 0.359806 Mo\n0.498076 0.706824 0.646899 Mo\n0.706219 0.007649 0.359806 Mo\n0.252591 0.747928 0.003440 Mo\n0.206219 0.492351 0.359806 Mo\n0.247409 0.247928 0.003440 Mo\n0.001924 0.206824 0.646899 Mo\n0.875121 0.120921 0.717811 O\n0.484254 0.303861 0.481922 O\n0.694368 0.003206 0.525347 O\n0.015746 0.803861 0.481922 O\n0.849999 0.658793 0.309430 O\n0.127216 0.178002 0.099098 O\n0.372784 0.678002 0.099098 O\n0.872784 0.821998 0.099098 O\n0.881642 0.379476 0.293788 O\n0.996022 0.373444 0.695935 O\n0.496022 0.126556 0.695935 O\n0.805632 0.503206 0.525347 O\n0.618358 0.879476 0.293788 O\n0.863523 0.179670 0.102785 O\n0.627216 0.321998 0.099098 O\n0.349999 0.841207 0.309430 O\n0.176644 0.364494 0.904015 O\n0.363523 0.320330 0.102785 O\n0.118358 0.620524 0.293788 O\n0.375121 0.379079 0.717811 O\n0.846157 0.852426 0.691673 O\n0.126781 0.004446 0.311985 O\n0.680958 0.871505 0.907693 O\n0.150001 0.341207 0.309430 O\n0.003978 0.626556 0.695935 O\n0.381642 0.120524 0.293788 O\n0.515746 0.696139 0.481922 O\n0.124879 0.879079 0.717811 O\n0.136477 0.820330 0.102785 O\n0.650001 0.158793 0.309430 O\n0.305632 0.996794 0.525347 O\n0.373219 0.504446 0.311985 O\n0.194368 0.496794 0.525347 O\n0.819042 0.371505 0.907693 O\n0.636477 0.679670 0.102785 O\n0.626781 0.495554 0.311985 O\n0.624879 0.620921 0.717811 O\n0.346157 0.647574 0.691673 O\n0.984254 0.196139 0.481922 O\n0.676644 0.135506 0.904015 O\n0.873219 0.995554 0.311985 O\n0.653843 0.352426 0.691673 O\n0.503978 0.873444 0.695935 O\n0.323356 0.864494 0.904015 O\n0.180958 0.628495 0.907693 O\n0.319042 0.128495 0.907693 O\n0.823356 0.635506 0.904015 O\n0.153843 0.147574 0.691673 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Y",
"density": 3.667101577575623,
"density_atomic": 0.05708799354543095,
"volume": 1191.1436324327149,
"volume_molar": 10.548874441011044,
"formula_full": "Y8 Mo12 O48",
"formula_reduced": "Y2(MoO4)3",
"formula_anonymous": "A2B3C12",
"energy": -599.26926599,
"energy_per_atom": -8.812783323382353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -527.86926599,
"band_gap": 3.4423000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.591000Z",
"spacegroup": 32
},
{
"id": "mp-542154",
"created_at": "2022-09-04T14:42:45.738450Z",
"structure_string": "Mo12 Pd8 N4\n1.0\n6.878227 0.000000 0.000000\n0.000000 6.878227 0.000000\n0.000000 0.000000 6.878227\nMo Pd N\n12 8 4\ndirect\n0.797350 0.047350 0.125000 Mo\n0.047350 0.125000 0.797350 Mo\n0.547350 0.375000 0.202650 Mo\n0.875000 0.297350 0.452650 Mo\n0.125000 0.797350 0.047350 Mo\n0.202650 0.547350 0.375000 Mo\n0.297350 0.452650 0.875000 Mo\n0.452650 0.875000 0.297350 Mo\n0.625000 0.702650 0.952650 Mo\n0.952650 0.625000 0.702650 Mo\n0.375000 0.202650 0.547350 Mo\n0.702650 0.952650 0.625000 Mo\n0.189308 0.189308 0.189308 Pd\n0.439308 0.060692 0.939308 Pd\n0.939308 0.439308 0.060692 Pd\n0.060692 0.939308 0.439308 Pd\n0.310692 0.810692 0.689308 Pd\n0.689308 0.310692 0.810692 Pd\n0.810692 0.689308 0.310692 Pd\n0.560692 0.560692 0.560692 Pd\n0.875000 0.875000 0.875000 N\n0.125000 0.375000 0.625000 N\n0.625000 0.125000 0.375000 N\n0.375000 0.625000 0.125000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mo",
"Pd",
"N"
],
"chemical_system": "Mo-N-Pd",
"density": 10.505231914483556,
"density_atomic": 0.07375334599342868,
"volume": 325.40896520326504,
"volume_molar": 8.16524413758335,
"formula_full": "Mo12 Pd8 N4",
"formula_reduced": "Mo3Pd2N",
"formula_anonymous": "AB2C3",
"energy": -211.50735739,
"energy_per_atom": -8.812806557916668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -210.06335739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013612,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.080000Z",
"spacegroup": 213
},
{
"id": "mp-8216",
"created_at": "2022-09-04T14:41:12.796817Z",
"structure_string": "La4 B4 O12\n1.0\n5.144524 0.000000 0.000000\n0.000000 5.919331 0.000000\n0.000000 0.000000 8.291427\nLa B O\n4 4 12\ndirect\n0.250000 0.256477 0.415325 La\n0.750000 0.743523 0.584675 La\n0.250000 0.756477 0.084675 La\n0.750000 0.243523 0.915325 La\n0.250000 0.420632 0.760681 B\n0.750000 0.579368 0.239319 B\n0.250000 0.920632 0.739319 B\n0.750000 0.079368 0.260681 B\n0.750000 0.091728 0.426701 O\n0.250000 0.908272 0.573299 O\n0.750000 0.591728 0.073299 O\n0.250000 0.408272 0.926701 O\n0.982284 0.084152 0.176322 O\n0.482284 0.915848 0.823678 O\n0.517716 0.584152 0.323678 O\n0.017716 0.415848 0.676322 O\n0.017716 0.915848 0.823678 O\n0.517716 0.084152 0.176322 O\n0.482284 0.415848 0.676322 O\n0.982284 0.584152 0.323678 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"B",
"O"
],
"chemical_system": "B-La-O",
"density": 5.201167955848209,
"density_atomic": 0.0792105248369877,
"volume": 252.4916990659922,
"volume_molar": 7.602702762534828,
"formula_full": "La4 B4 O12",
"formula_reduced": "LaBO3",
"formula_anonymous": "ABC3",
"energy": -176.26003856,
"energy_per_atom": -8.813001928,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.01603856,
"band_gap": 4.500700000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.918000Z",
"spacegroup": 62
},
{
"id": "mp-636731",
"created_at": "2022-09-04T14:47:25.469321Z",
"structure_string": "Zr2 Mo4 O16\n1.0\n6.003316 0.000000 0.000000\n0.000000 7.436438 0.000000\n0.000000 0.000000 9.333980\nZr Mo O\n2 4 16\ndirect\n0.000000 0.737896 0.000697 Zr\n0.500000 0.262104 0.500697 Zr\n0.000000 0.576359 0.400325 Mo\n0.000000 0.045301 0.677438 Mo\n0.500000 0.954699 0.177438 Mo\n0.500000 0.423641 0.900325 Mo\n0.000000 0.846428 0.795526 O\n0.000000 0.221576 0.796772 O\n0.255856 0.554922 0.948687 O\n0.500000 0.221712 0.993720 O\n0.755856 0.445078 0.448687 O\n0.000000 0.778288 0.493720 O\n0.244144 0.445078 0.448687 O\n0.254877 0.082615 0.574295 O\n0.245123 0.917385 0.074295 O\n0.745123 0.082615 0.574295 O\n0.500000 0.778424 0.296772 O\n0.500000 0.153572 0.295526 O\n0.500000 0.380089 0.709956 O\n0.000000 0.619911 0.209956 O\n0.754877 0.917385 0.074295 O\n0.744144 0.554922 0.948687 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zr",
"density": 3.2764435749667298,
"density_atomic": 0.052795833337093666,
"volume": 416.6995501242157,
"volume_molar": 11.406469752166831,
"formula_full": "Zr2 Mo4 O16",
"formula_reduced": "Zr(MoO4)2",
"formula_anonymous": "AB2C8",
"energy": -193.88740737,
"energy_per_atom": -8.813063971363636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.08740737,
"band_gap": 3.1318,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006448,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.141000Z",
"spacegroup": 31
},
{
"id": "mp-1044426",
"created_at": "2022-09-04T14:42:38.875968Z",
"structure_string": "Ca2 Pr2 Ti4 O12\n1.0\n5.504201 0.000000 0.000000\n0.000000 5.550261 0.000000\n0.000000 0.000000 7.835626\nCa Pr Ti O\n2 2 4 12\ndirect\n0.489588 0.207319 0.000000 Ca\n0.989588 0.792681 0.500000 Ca\n0.009666 0.708904 0.000000 Pr\n0.509666 0.291096 0.500000 Pr\n0.000450 0.248299 0.750371 Ti\n0.000450 0.248299 0.249629 Ti\n0.500450 0.751701 0.250371 Ti\n0.500450 0.751701 0.749629 Ti\n0.077831 0.229488 0.500000 O\n0.214837 0.965378 0.791911 O\n0.214837 0.965378 0.208089 O\n0.286809 0.463986 0.206958 O\n0.286809 0.463986 0.793042 O\n0.418187 0.731989 0.500000 O\n0.577831 0.770512 0.000000 O\n0.714837 0.034622 0.708089 O\n0.714837 0.034622 0.291911 O\n0.786809 0.536014 0.706958 O\n0.786809 0.536014 0.293042 O\n0.918187 0.268011 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Pr",
"Ti",
"O"
],
"chemical_system": "Ca-O-Pr-Ti",
"density": 5.171015008067009,
"density_atomic": 0.08355041394491486,
"volume": 239.37643221236564,
"volume_molar": 7.207792847047321,
"formula_full": "Ca2 Pr2 Ti4 O12",
"formula_reduced": "CaPrTi2O6",
"formula_anonymous": "ABC2D6",
"energy": -176.26128816,
"energy_per_atom": -8.813064407999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.01728816000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1547141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.813000Z",
"spacegroup": 31
},
{
"id": "mp-3911",
"created_at": "2022-09-04T14:43:23.029802Z",
"structure_string": "La4 Mo20 O32\n1.0\n9.368064 0.000000 0.000000\n0.000000 8.286840 0.000000\n0.000000 3.796260 9.744139\nLa Mo O\n4 20 32\ndirect\n0.476395 0.269491 0.985205 La\n0.976395 0.730509 0.514795 La\n0.523605 0.730509 0.014795 La\n0.023605 0.269491 0.485205 La\n0.374460 0.400045 0.312737 Mo\n0.874460 0.599955 0.187263 Mo\n0.625540 0.599955 0.687263 Mo\n0.125540 0.400045 0.812737 Mo\n0.362473 0.796564 0.708725 Mo\n0.862473 0.203436 0.791275 Mo\n0.637527 0.203436 0.291275 Mo\n0.137527 0.796564 0.208725 Mo\n0.380921 0.190618 0.630652 Mo\n0.880921 0.809382 0.869348 Mo\n0.619079 0.809382 0.369348 Mo\n0.119079 0.190618 0.130652 Mo\n0.139020 0.612778 0.015415 Mo\n0.861084 0.993756 0.085832 Mo\n0.638916 0.993756 0.585832 Mo\n0.138916 0.006244 0.914168 Mo\n0.360980 0.612778 0.515415 Mo\n0.860980 0.387222 0.984585 Mo\n0.639020 0.387222 0.484585 Mo\n0.361084 0.006244 0.414168 Mo\n0.499811 0.407943 0.643804 O\n0.999811 0.592057 0.856196 O\n0.500189 0.592057 0.356196 O\n0.000189 0.407943 0.143804 O\n0.281073 0.621357 0.169171 O\n0.781073 0.378643 0.330829 O\n0.718927 0.378643 0.830829 O\n0.218927 0.621357 0.669171 O\n0.244318 0.394215 0.991934 O\n0.744318 0.605785 0.508066 O\n0.755682 0.605785 0.008066 O\n0.255682 0.394215 0.491934 O\n0.502996 0.964985 0.758451 O\n0.002996 0.035015 0.741549 O\n0.497004 0.035015 0.241549 O\n0.997004 0.964985 0.258451 O\n0.279017 0.209487 0.804891 O\n0.779017 0.790513 0.695109 O\n0.720983 0.790513 0.195109 O\n0.220983 0.209487 0.304891 O\n0.271106 0.811563 0.891084 O\n0.771106 0.188437 0.608916 O\n0.728894 0.188437 0.108916 O\n0.228894 0.811563 0.391084 O\n0.986031 0.406779 0.649800 O\n0.486031 0.593221 0.850200 O\n0.013969 0.593221 0.350200 O\n0.513969 0.406779 0.149800 O\n0.259878 0.012716 0.086497 O\n0.740122 0.987284 0.913503 O\n0.759878 0.987284 0.413503 O\n0.240122 0.012716 0.586497 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"La",
"Mo",
"O"
],
"chemical_system": "La-Mo-O",
"density": 6.555641424546083,
"density_atomic": 0.07402965982080507,
"volume": 756.4535638222928,
"volume_molar": 8.134767570966948,
"formula_full": "La4 Mo20 O32",
"formula_reduced": "LaMo5O8",
"formula_anonymous": "AB5C8",
"energy": -493.5334092,
"energy_per_atom": -8.813096592857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -407.5094092,
"band_gap": 0.3076999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 60.0027927,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.182000Z",
"spacegroup": 14
},
{
"id": "mp-1105460",
"created_at": "2022-09-04T14:40:18.574557Z",
"structure_string": "Tb5 Mo2 O12\n1.0\n3.017754 6.211808 0.000000\n-3.017754 6.211808 0.000000\n0.000000 2.197186 7.028901\nTb Mo O\n5 2 12\ndirect\n0.301306 0.301306 0.362546 Tb\n0.698694 0.698694 0.637454 Tb\n0.307870 0.307870 0.826682 Tb\n0.692130 0.692130 0.173318 Tb\n0.000000 0.000000 0.500000 Tb\n0.753736 0.246264 0.000000 Mo\n0.246264 0.753736 0.000000 Mo\n0.898861 0.432611 0.915574 O\n0.432611 0.898861 0.915574 O\n0.101139 0.567389 0.084426 O\n0.567389 0.101139 0.084426 O\n0.095642 0.596936 0.574333 O\n0.596936 0.095642 0.574333 O\n0.904358 0.403064 0.425667 O\n0.403064 0.904358 0.425667 O\n0.002519 0.002519 0.812426 O\n0.997481 0.997481 0.187574 O\n0.499691 0.499691 0.805660 O\n0.500309 0.500309 0.194340 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tb",
"density": 7.426073415451696,
"density_atomic": 0.0720998433075833,
"volume": 263.5234575884525,
"volume_molar": 8.352501869260795,
"formula_full": "Tb5 Mo2 O12",
"formula_reduced": "Tb5(MoO6)2",
"formula_anonymous": "A2B5C12",
"energy": -167.45157781999998,
"energy_per_atom": -8.813240937894737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.80357782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0013637,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.431000Z",
"spacegroup": 12
},
{
"id": "mp-1184045",
"created_at": "2022-09-04T14:41:32.655513Z",
"structure_string": "Eu2 Co2 O5\n1.0\n3.891456 0.000000 0.000000\n0.000000 3.891456 0.000000\n0.000000 0.000000 7.553272\nEu Co O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.239091 Co\n0.500000 0.500000 0.760909 Co\n0.500000 0.000000 0.211446 O\n0.500000 0.000000 0.788554 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.211446 O\n0.000000 0.500000 0.788554 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Eu",
"Co",
"O"
],
"chemical_system": "Co-Eu-O",
"density": 7.284721108535445,
"density_atomic": 0.0786834033467447,
"volume": 114.38244429182217,
"volume_molar": 7.653635333313463,
"formula_full": "Eu2 Co2 O5",
"formula_reduced": "Eu2Co2O5",
"formula_anonymous": "A2B2C5",
"energy": -79.32068622999998,
"energy_per_atom": -8.81340958111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.60968623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0037952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.535000Z",
"spacegroup": 123
},
{
"id": "mp-1213558",
"created_at": "2022-09-04T14:40:32.965210Z",
"structure_string": "Eu4 Hf4 Mo14 O56\n1.0\n5.026109 10.629462 0.000000\n-5.026109 10.629462 0.000000\n0.000000 5.516543 13.013371\nEu Hf Mo O\n4 4 14 56\ndirect\n0.150276 0.125530 0.062963 Eu\n0.849724 0.874470 0.937037 Eu\n0.874470 0.849724 0.437037 Eu\n0.125530 0.150276 0.562963 Eu\n0.418676 0.349389 0.187901 Hf\n0.581324 0.650611 0.812099 Hf\n0.650611 0.581324 0.312099 Hf\n0.349389 0.418676 0.687901 Hf\n0.499927 0.987556 0.174920 Mo\n0.500073 0.012444 0.825080 Mo\n0.012444 0.500073 0.325080 Mo\n0.987556 0.499927 0.674920 Mo\n0.454837 0.230544 0.476387 Mo\n0.545163 0.769456 0.523613 Mo\n0.769456 0.545163 0.023613 Mo\n0.230544 0.454837 0.976387 Mo\n0.809644 0.069101 0.146950 Mo\n0.190356 0.930899 0.853050 Mo\n0.930899 0.190356 0.353050 Mo\n0.069101 0.809644 0.646950 Mo\n0.299237 0.700763 0.250000 Mo\n0.700763 0.299237 0.750000 Mo\n0.487524 0.126185 0.217697 O\n0.512476 0.873815 0.782303 O\n0.873815 0.512476 0.282303 O\n0.126185 0.487524 0.717697 O\n0.638073 0.075413 0.495392 O\n0.361927 0.924587 0.504608 O\n0.924587 0.361927 0.004608 O\n0.075413 0.638073 0.995392 O\n0.319333 0.058493 0.167352 O\n0.680667 0.941507 0.832648 O\n0.941507 0.680667 0.332648 O\n0.058493 0.319333 0.667352 O\n0.935768 0.026948 0.398081 O\n0.064232 0.973052 0.601919 O\n0.973052 0.064232 0.101919 O\n0.026948 0.935768 0.898081 O\n0.795987 0.999046 0.281412 O\n0.204013 0.000954 0.718588 O\n0.000954 0.204013 0.218588 O\n0.999046 0.795987 0.781412 O\n0.575217 0.805847 0.260828 O\n0.424783 0.194153 0.739172 O\n0.194153 0.424783 0.239172 O\n0.805847 0.575217 0.760828 O\n0.663555 0.828301 0.470707 O\n0.336445 0.171699 0.529293 O\n0.171699 0.336445 0.029293 O\n0.828301 0.663555 0.970707 O\n0.829249 0.948035 0.084601 O\n0.170751 0.051965 0.915399 O\n0.051965 0.170751 0.415399 O\n0.948035 0.829249 0.584601 O\n0.607869 0.962298 0.049617 O\n0.392131 0.037702 0.950383 O\n0.037702 0.392131 0.450383 O\n0.962298 0.607869 0.549617 O\n0.374476 0.390111 0.045383 O\n0.625524 0.609889 0.954617 O\n0.609889 0.625524 0.454617 O\n0.390111 0.374476 0.545383 O\n0.260962 0.863933 0.159206 O\n0.739038 0.136067 0.840794 O\n0.136067 0.739038 0.340794 O\n0.863933 0.260962 0.659206 O\n0.441403 0.638502 0.319199 O\n0.558597 0.361498 0.680801 O\n0.361498 0.558597 0.180801 O\n0.638502 0.441403 0.819199 O\n0.640354 0.263379 0.126380 O\n0.359646 0.736621 0.873620 O\n0.736621 0.359646 0.373620 O\n0.263379 0.640354 0.626380 O\n0.448897 0.302317 0.338826 O\n0.551103 0.697683 0.661174 O\n0.697683 0.551103 0.161174 O\n0.302317 0.448897 0.838826 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Eu",
"Hf",
"Mo",
"O"
],
"chemical_system": "Eu-Hf-Mo-O",
"density": 4.252565903998268,
"density_atomic": 0.056095963163137315,
"volume": 1390.4743871348057,
"volume_molar": 10.735426259616068,
"formula_full": "Eu4 Hf4 Mo14 O56",
"formula_reduced": "Eu2Hf2(MoO4)7",
"formula_anonymous": "A2B2C7D28",
"energy": -687.45403429,
"energy_per_atom": -8.813513260128206,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -604.15403429,
"band_gap": 0.3594,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0549002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.450000Z",
"spacegroup": 15
}
]
}