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=-elements&page=10138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10136",
"results": [
{
"id": "mp-1097453",
"created_at": "2022-09-04T14:41:54.930994Z",
"structure_string": "Ba2 Na1 Cd1\n1.0\n-7.264480 7.392651 10.307039\n7.264480 -7.392651 10.307039\n7.264480 7.392651 -10.307039\nBa Na Cd\n2 1 1\ndirect\n0.735877 0.000000 0.735877 Ba\n0.264123 0.000000 0.264123 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Cd"
],
"chemical_system": "Ba-Cd-Na",
"density": 0.3075334198802796,
"density_atomic": 0.0018065972473044181,
"volume": 2214.10721507979,
"volume_molar": 333.3416326735523,
"formula_full": "Ba2 Na1 Cd1",
"formula_reduced": "Ba2NaCd",
"formula_anonymous": "ABC2",
"energy": -1.80176149,
"energy_per_atom": -0.4504403725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.80176149,
"band_gap": 0.1648,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9997139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.740000Z",
"spacegroup": 71
},
{
"id": "mp-1096333",
"created_at": "2022-09-04T14:39:21.002481Z",
"structure_string": "Ba1 Na2 Ca1\n1.0\n-7.450149 7.615814 10.547823\n7.450149 -7.615814 10.547823\n7.450149 7.615814 -10.547823\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.000000 0.500000 Ba\n0.238419 0.000000 0.238419 Na\n0.761581 0.000000 0.761581 Na\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Ca"
],
"chemical_system": "Ba-Ca-Na",
"density": 0.15495232453646685,
"density_atomic": 0.0016709208538524553,
"volume": 2393.8895674068867,
"volume_molar": 360.4084984704945,
"formula_full": "Ba1 Na2 Ca1",
"formula_reduced": "BaNa2Ca",
"formula_anonymous": "ABC2",
"energy": -2.21832667,
"energy_per_atom": -0.5545816675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.21832667,
"band_gap": 0.2224000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.421000Z",
"spacegroup": 71
},
{
"id": "mp-31235",
"created_at": "2022-09-04T14:42:29.233329Z",
"structure_string": "Ba3 Na3 Bi3\n1.0\n4.370776 -7.570406 0.000000\n4.370776 7.570406 0.000000\n0.000000 0.000000 5.167900\nBa Na Bi\n3 3 3\ndirect\n0.417587 0.000000 0.000000 Ba\n0.582413 0.582413 0.000000 Ba\n0.000000 0.417587 0.000000 Ba\n0.760007 0.000000 0.500000 Na\n0.000000 0.760007 0.500000 Na\n0.239993 0.239993 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.333333 0.666667 0.500000 Bi\n0.666667 0.333333 0.500000 Bi\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Bi"
],
"chemical_system": "Ba-Bi-Na",
"density": 5.379284487686683,
"density_atomic": 0.026316049305728905,
"volume": 341.99662325608784,
"volume_molar": 22.883908941031674,
"formula_full": "Ba3 Na3 Bi3",
"formula_reduced": "BaNaBi",
"formula_anonymous": "ABC",
"energy": -28.25211491,
"energy_per_atom": -3.139123878888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.25211491,
"band_gap": 0.2355,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.772000Z",
"spacegroup": 189
},
{
"id": "mp-1228056",
"created_at": "2022-09-04T14:45:38.770952Z",
"structure_string": "Ba3 Na1 B24\n1.0\n4.256001 0.000000 0.000000\n0.000000 4.256001 0.000000\n0.000000 0.000000 16.968377\nBa Na B\n3 1 24\ndirect\n0.000000 0.000000 0.245567 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.754433 Ba\n0.000000 0.000000 0.000000 Na\n0.202224 0.500000 0.122881 B\n0.204491 0.500000 0.374746 B\n0.204491 0.500000 0.625254 B\n0.202224 0.500000 0.877119 B\n0.500000 0.500000 0.197672 B\n0.500000 0.500000 0.448847 B\n0.500000 0.500000 0.699767 B\n0.500000 0.500000 0.950874 B\n0.500000 0.202224 0.122881 B\n0.500000 0.204491 0.374746 B\n0.500000 0.204491 0.625254 B\n0.500000 0.202224 0.877119 B\n0.500000 0.500000 0.049126 B\n0.500000 0.500000 0.300233 B\n0.500000 0.500000 0.551153 B\n0.500000 0.500000 0.802328 B\n0.500000 0.797776 0.122881 B\n0.500000 0.795509 0.374746 B\n0.500000 0.795509 0.625254 B\n0.500000 0.797776 0.877119 B\n0.797776 0.500000 0.122881 B\n0.795509 0.500000 0.374746 B\n0.795509 0.500000 0.625254 B\n0.797776 0.500000 0.877119 B\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Na",
"B"
],
"chemical_system": "B-Ba-Na",
"density": 3.7517751912924733,
"density_atomic": 0.09109914143930796,
"volume": 307.357452085914,
"volume_molar": 6.6105351432011785,
"formula_full": "Ba3 Na1 B24",
"formula_reduced": "Ba3NaB24",
"formula_anonymous": "AB3C24",
"energy": -176.14819142,
"energy_per_atom": -6.291006836428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.14819142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.294000Z",
"spacegroup": 123
},
{
"id": "mp-1093620",
"created_at": "2022-09-04T14:48:06.153392Z",
"structure_string": "Ba1 Na1 Au2\n1.0\n-5.920229 6.661220 9.456765\n5.920229 -6.661220 9.456765\n5.920229 6.661220 -9.456765\nBa Na Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.241641 0.241641 Au\n0.000000 0.758359 0.758359 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Au"
],
"chemical_system": "Au-Ba-Na",
"density": 0.6169640446234154,
"density_atomic": 0.002681421700257037,
"volume": 1491.7459643205566,
"volume_molar": 224.58760438250823,
"formula_full": "Ba1 Na1 Au2",
"formula_reduced": "BaNaAu2",
"formula_anonymous": "ABC2",
"energy": -8.03401178,
"energy_per_atom": -2.008502945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.03401178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9850185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.130000Z",
"spacegroup": 71
},
{
"id": "mp-1182281",
"created_at": "2022-09-04T14:44:16.320340Z",
"structure_string": "Ba2 N12 O2\n1.0\n5.803758 3.421184 0.000000\n-5.803758 3.421184 0.000000\n0.000000 2.562943 6.614589\nBa N O\n2 12 2\ndirect\n0.316973 0.610740 0.762929 Ba\n0.610740 0.316973 0.262929 Ba\n0.232928 0.729887 0.251875 N\n0.729887 0.232928 0.751875 N\n0.125980 0.648783 0.143153 N\n0.648783 0.125980 0.643153 N\n0.812947 0.339952 0.861032 N\n0.339952 0.812947 0.361032 N\n0.915504 0.870597 0.856525 N\n0.870597 0.915504 0.356525 N\n0.121380 0.969348 0.760968 N\n0.969348 0.121380 0.260968 N\n0.765808 0.711669 0.455647 N\n0.711669 0.765808 0.955647 N\n0.241789 0.300917 0.526171 O\n0.300917 0.241789 0.026171 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 3.001097566168478,
"density_atomic": 0.06091179461375152,
"volume": 262.67490724017875,
"volume_molar": 9.886657909501873,
"formula_full": "Ba2 N12 O2",
"formula_reduced": "BaN6O",
"formula_anonymous": "ABC6",
"energy": -113.19579483,
"energy_per_atom": -7.074737176875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.82179483,
"band_gap": 0.0228999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.522000Z",
"spacegroup": 9
},
{
"id": "mp-4396",
"created_at": "2022-09-04T14:48:22.309249Z",
"structure_string": "Ba4 N8 O24\n1.0\n8.295269 0.000000 0.000000\n0.000000 8.295269 0.000000\n0.000000 0.000000 8.295269\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.344493 0.344493 0.344493 N\n0.344493 0.155507 0.844493 N\n0.155507 0.844493 0.344493 N\n0.844493 0.344493 0.155507 N\n0.655507 0.655507 0.655507 N\n0.155507 0.655507 0.844493 N\n0.844493 0.155507 0.655507 N\n0.655507 0.844493 0.155507 N\n0.779076 0.285070 0.030662 O\n0.214930 0.969338 0.279076 O\n0.220924 0.785070 0.469338 O\n0.279076 0.214930 0.969338 O\n0.279076 0.285070 0.469338 O\n0.469338 0.279076 0.285070 O\n0.285070 0.469338 0.279076 O\n0.214930 0.530662 0.779076 O\n0.969338 0.220924 0.714930 O\n0.714930 0.969338 0.220924 O\n0.030662 0.720924 0.785070 O\n0.530662 0.779076 0.214930 O\n0.785070 0.030662 0.720924 O\n0.779076 0.214930 0.530662 O\n0.720924 0.785070 0.030662 O\n0.220924 0.714930 0.969338 O\n0.720924 0.714930 0.530662 O\n0.530662 0.720924 0.714930 O\n0.714930 0.530662 0.720924 O\n0.785070 0.469338 0.220924 O\n0.030662 0.779076 0.285070 O\n0.285070 0.030662 0.779076 O\n0.969338 0.279076 0.214930 O\n0.469338 0.220924 0.785070 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 3.041012714510106,
"density_atomic": 0.0630682933419727,
"volume": 570.8098014448977,
"volume_molar": 9.548602698580073,
"formula_full": "Ba4 N8 O24",
"formula_reduced": "Ba(NO3)2",
"formula_anonymous": "AB2C6",
"energy": -250.37954244,
"energy_per_atom": -6.95498729,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.89154244,
"band_gap": 3.6327,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026168,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.575000Z",
"spacegroup": 205
},
{
"id": "mp-1078941",
"created_at": "2022-09-04T14:47:03.565720Z",
"structure_string": "Ba2 N1 O6\n1.0\n3.465852 -6.003032 0.000000\n3.465852 6.003032 0.000000\n0.000000 0.000000 3.953686\nBa N O\n2 1 6\ndirect\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.000000 Ba\n0.000000 0.000000 0.000000 N\n0.000000 0.183033 0.000000 O\n0.816967 0.816967 0.000000 O\n0.183033 0.000000 0.000000 O\n0.000000 0.534691 0.500000 O\n0.465309 0.465309 0.500000 O\n0.534691 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 3.8824869816577583,
"density_atomic": 0.05470533313811559,
"volume": 164.51778069384076,
"volume_molar": 11.008324809567997,
"formula_full": "Ba2 N1 O6",
"formula_reduced": "Ba2NO6",
"formula_anonymous": "AB2C6",
"energy": -56.1044118,
"energy_per_atom": -6.233823533333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.98241180000001,
"band_gap": 0.2517999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9996772,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.868000Z",
"spacegroup": 189
},
{
"id": "mp-27897",
"created_at": "2022-09-04T14:43:15.264524Z",
"structure_string": "Ba4 N8 O16\n1.0\n6.898551 0.000000 0.000000\n0.000000 7.830487 0.000000\n0.000000 0.000000 8.466593\nBa N O\n4 8 16\ndirect\n0.392556 0.540324 0.039092 Ba\n0.892556 0.959676 0.960908 Ba\n0.607444 0.040324 0.460908 Ba\n0.107444 0.459676 0.539092 Ba\n0.493117 0.722513 0.726091 N\n0.993117 0.777487 0.273909 N\n0.506883 0.222513 0.773909 N\n0.006883 0.277487 0.226091 N\n0.894720 0.533797 0.865817 N\n0.394720 0.966203 0.134183 N\n0.105280 0.033797 0.634183 N\n0.605280 0.466203 0.365817 N\n0.371502 0.333956 0.767583 O\n0.871502 0.166044 0.232417 O\n0.628498 0.833956 0.732417 O\n0.128498 0.666044 0.267583 O\n0.050640 0.621265 0.840800 O\n0.550640 0.878735 0.159200 O\n0.949360 0.121265 0.659200 O\n0.449360 0.378735 0.340800 O\n0.709305 0.408550 0.475541 O\n0.209305 0.091450 0.524459 O\n0.290695 0.908550 0.024459 O\n0.790695 0.591450 0.975541 O\n0.407173 0.714324 0.594507 O\n0.907173 0.785676 0.405493 O\n0.592827 0.214324 0.905493 O\n0.092827 0.285676 0.094507 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 3.330655957253978,
"density_atomic": 0.061221320946608294,
"volume": 457.35700515869416,
"volume_molar": 9.836672366563223,
"formula_full": "Ba4 N8 O16",
"formula_reduced": "Ba(NO2)2",
"formula_anonymous": "AB2C4",
"energy": -194.88997394,
"energy_per_atom": -6.960356212142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.89797394,
"band_gap": 2.3829,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013123,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.709000Z",
"spacegroup": 19
},
{
"id": "mp-1018096",
"created_at": "2022-09-04T14:47:40.744323Z",
"structure_string": "Ba2 N1 F1\n1.0\n6.875433 -2.019612 0.000000\n6.875433 2.019612 0.000000\n6.282185 0.000000 3.447398\nBa N F\n2 1 1\ndirect\n0.758384 0.758384 0.758384 Ba\n0.241616 0.241616 0.241616 Ba\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.33616745099278,
"density_atomic": 0.04178020567007119,
"volume": 95.73911702558607,
"volume_molar": 14.413860974154797,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy": -21.71777712,
"energy_per_atom": -5.42944428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.89477712,
"band_gap": 1.1309999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.507000Z",
"spacegroup": 166
},
{
"id": "mp-1228339",
"created_at": "2022-09-04T14:41:02.745250Z",
"structure_string": "Ba2 N1 F1\n1.0\n4.108196 0.000000 0.000000\n0.000000 4.108196 0.000000\n0.000000 0.000000 5.598757\nBa N F\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 5.406608688740258,
"density_atomic": 0.042331734351989975,
"volume": 94.49175804468223,
"volume_molar": 14.226066690123469,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy": -21.05674557,
"energy_per_atom": -5.2641863925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.23374557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.357000Z",
"spacegroup": 123
},
{
"id": "mp-1228340",
"created_at": "2022-09-04T14:43:57.113232Z",
"structure_string": "Ba2 N1 F1\n1.0\n0.000000 3.455754 3.455754\n3.455754 0.000000 3.455754\n3.455754 3.455754 0.000000\nBa N F\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"N",
"F"
],
"chemical_system": "Ba-F-N",
"density": 6.189569067017075,
"density_atomic": 0.048462022791464665,
"volume": 82.53885763729402,
"volume_molar": 12.42651547153464,
"formula_full": "Ba2 N1 F1",
"formula_reduced": "Ba2NF",
"formula_anonymous": "ABC2",
"energy": -20.51291779,
"energy_per_atom": -5.1282294475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.68991779,
"band_gap": 0.6992000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.959000Z",
"spacegroup": 225
}
]
}