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_above_hull&page=12192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12190",
"results": [
{
"id": "mp-755586",
"created_at": "2022-09-04T14:43:39.677917Z",
"structure_string": "Na2 La2 O4\n1.0\n-2.412458 2.412458 5.696116\n2.412458 -2.412458 5.696116\n2.412458 2.412458 -5.696116\nNa La O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.750000 0.250000 0.500000 La\n0.217210 0.217210 0.000000 O\n0.532790 0.032790 0.500000 O\n0.967210 0.467210 0.500000 O\n0.782790 0.782790 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"La",
"O"
],
"chemical_system": "La-Na-O",
"density": 4.856073065105994,
"density_atomic": 0.06032976703690863,
"volume": 132.6045233210622,
"volume_molar": 9.98203881065174,
"formula_full": "Na2 La2 O4",
"formula_reduced": "NaLaO2",
"formula_anonymous": "ABC2",
"energy": -56.63387955,
"energy_per_atom": -7.07923494375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.88587955,
"band_gap": 3.2411000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001104,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.339000Z",
"spacegroup": 141
},
{
"id": "mp-541643",
"created_at": "2022-09-04T14:43:35.814627Z",
"structure_string": "Na10 Lu2 W8 O32\n1.0\n-5.784146 5.784146 5.694436\n5.784146 -5.784146 5.694436\n5.784146 5.784146 -5.694436\nNa Lu W O\n10 2 8 32\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750000 0.500000 Na\n0.926816 0.839283 0.324941 Na\n0.851875 0.676816 0.587533 Na\n0.089283 0.264343 0.412467 Na\n0.514343 0.601875 0.675059 Na\n0.323184 0.910717 0.175059 Na\n0.398125 0.073184 0.912467 Na\n0.160717 0.485657 0.087533 Na\n0.735657 0.148125 0.824941 Na\n0.500000 0.500000 0.000000 Lu\n0.750000 0.250000 0.500000 Lu\n0.666897 0.941011 0.092320 W\n0.824577 0.416897 0.225886 W\n0.191011 0.598691 0.774114 W\n0.848691 0.574577 0.907680 W\n0.583103 0.808989 0.407680 W\n0.425423 0.333103 0.274114 W\n0.058989 0.151309 0.725886 W\n0.401309 0.175423 0.592320 W\n0.636579 0.033315 0.965890 O\n0.920689 0.386579 0.103263 O\n0.283315 0.817426 0.896737 O\n0.067426 0.670689 0.034110 O\n0.613421 0.716685 0.534110 O\n0.329311 0.363421 0.396737 O\n0.966685 0.932574 0.603263 O\n0.182574 0.079311 0.465890 O\n0.881928 0.997359 0.178242 O\n0.953685 0.631928 0.384569 O\n0.247359 0.569117 0.615431 O\n0.819117 0.703685 0.821758 O\n0.368072 0.752641 0.321758 O\n0.296315 0.118072 0.115431 O\n0.002641 0.180883 0.884569 O\n0.430883 0.046315 0.678242 O\n0.546892 0.718736 0.947981 O\n0.848911 0.296892 0.328156 O\n0.968736 0.520756 0.671844 O\n0.770756 0.598911 0.052019 O\n0.703108 0.031264 0.552019 O\n0.401089 0.453108 0.171844 O\n0.281264 0.229244 0.828156 O\n0.479244 0.151089 0.447981 O\n0.604087 0.008015 0.246762 O\n0.607325 0.354087 0.096073 O\n0.258015 0.511253 0.903927 O\n0.761253 0.357325 0.753238 O\n0.645913 0.741985 0.253238 O\n0.642675 0.395913 0.403927 O\n0.991985 0.238747 0.596073 O\n0.488747 0.392675 0.746762 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Na",
"Lu",
"W",
"O"
],
"chemical_system": "Lu-Na-O-W",
"density": 5.583792583642922,
"density_atomic": 0.06823609148414854,
"volume": 762.0600604312127,
"volume_molar": 8.825447983636288,
"formula_full": "Na10 Lu2 W8 O32",
"formula_reduced": "Na5Lu(WO4)4",
"formula_anonymous": "AB4C5D16",
"energy": -409.41877391,
"energy_per_atom": -7.873437959807693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.93077391,
"band_gap": 4.2685,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.174000Z",
"spacegroup": 88
},
{
"id": "mp-725945",
"created_at": "2022-09-04T14:43:35.863288Z",
"structure_string": "Ta4 Br20 N8\n1.0\n7.498460 0.000000 0.000000\n0.000000 7.498460 0.000000\n0.000000 0.000000 19.966445\nTa Br N\n4 20 8\ndirect\n0.500000 0.500000 0.405205 Ta\n0.000000 0.000000 0.905205 Ta\n0.500000 0.500000 0.594795 Ta\n0.000000 0.000000 0.094795 Ta\n0.780910 0.683603 0.392547 Br\n0.219090 0.316397 0.392547 Br\n0.719090 0.183603 0.892547 Br\n0.280910 0.816397 0.892547 Br\n0.683603 0.219090 0.392547 Br\n0.316397 0.780910 0.392547 Br\n0.183603 0.280910 0.892547 Br\n0.816397 0.719090 0.892547 Br\n0.219090 0.316397 0.607453 Br\n0.780910 0.683603 0.607453 Br\n0.280910 0.816397 0.107453 Br\n0.719090 0.183603 0.107453 Br\n0.316397 0.780910 0.607453 Br\n0.683603 0.219090 0.607453 Br\n0.816397 0.719090 0.107453 Br\n0.183603 0.280910 0.107453 Br\n0.500000 0.500000 0.266831 Br\n0.000000 0.000000 0.766831 Br\n0.500000 0.500000 0.733169 Br\n0.000000 0.000000 0.233169 Br\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.250000 N\n0.500000 0.000000 0.750000 N\n0.500000 0.000000 0.250000 N\n0.000000 0.500000 0.750000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ta",
"Br",
"N"
],
"chemical_system": "Br-N-Ta",
"density": 3.600073819477705,
"density_atomic": 0.0285039517334407,
"volume": 1122.651353722921,
"volume_molar": 21.127388989137437,
"formula_full": "Ta4 Br20 N8",
"formula_reduced": "TaBr5N2",
"formula_anonymous": "AB2C5",
"energy": -133.54728267000002,
"energy_per_atom": -4.1733525834375005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.65928267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1779967,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.622000Z",
"spacegroup": 128
},
{
"id": "mp-1518543",
"created_at": "2022-09-04T14:43:36.113738Z",
"structure_string": "Sr2 Al1 Bi1 O6\n1.0\n0.000000 -4.031806 -4.031806\n4.031806 0.000000 -4.031806\n4.031806 -4.031806 -0.000000\nSr Al Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Bi\n0.761350 0.238650 0.238650 O\n0.238650 0.761350 0.761350 O\n0.761350 0.238650 0.761350 O\n0.238650 0.761350 0.238650 O\n0.761350 0.761350 0.238650 O\n0.238650 0.238650 0.761350 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O-Sr",
"density": 6.425368555746679,
"density_atomic": 0.07629061640415316,
"volume": 131.07771927053946,
"volume_molar": 7.893684759469532,
"formula_full": "Sr2 Al1 Bi1 O6",
"formula_reduced": "Sr2AlBiO6",
"formula_anonymous": "ABC2D6",
"energy": -66.98920061999999,
"energy_per_atom": -6.698920061999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.86720062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.780000Z",
"spacegroup": 225
},
{
"id": "mp-1027869",
"created_at": "2022-09-04T14:43:36.146999Z",
"structure_string": "Mg14 Fe1 Cu1\n1.0\n6.254567 0.000000 -0.000000\n-3.127283 5.416613 -0.000000\n0.000000 -0.000000 9.810250\nMg Fe Cu\n14 1 1\ndirect\n0.167128 0.833564 0.125000 Mg\n0.164597 0.832298 0.625000 Mg\n0.666436 0.332872 0.125000 Mg\n0.667702 0.335403 0.625000 Mg\n0.666436 0.833564 0.125000 Mg\n0.667702 0.832298 0.625000 Mg\n0.325443 0.174557 0.374392 Mg\n0.325443 0.174557 0.875608 Mg\n0.325443 0.650887 0.374392 Mg\n0.325443 0.650887 0.875608 Mg\n0.849113 0.174557 0.374392 Mg\n0.849113 0.174557 0.875608 Mg\n0.833333 0.666667 0.374582 Mg\n0.833333 0.666667 0.875418 Mg\n0.166667 0.333333 0.125000 Fe\n0.166667 0.333333 0.625000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Cu"
],
"chemical_system": "Cu-Fe-Mg",
"density": 2.2965802372961615,
"density_atomic": 0.04814097157831063,
"volume": 332.3572307628419,
"volume_molar": 12.509387664110225,
"formula_full": "Mg14 Fe1 Cu1",
"formula_reduced": "Mg14FeCu",
"formula_anonymous": "ABC14",
"energy": -33.55723026,
"energy_per_atom": -2.09732689125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.55723026,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7289589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.409000Z",
"spacegroup": 187
},
{
"id": "mp-1223800",
"created_at": "2022-09-04T14:43:36.298377Z",
"structure_string": "K2 Nb1 O3 F1\n1.0\n-2.006954 2.006954 6.969714\n2.006954 -2.006954 6.969714\n2.006954 2.006954 -6.969714\nK Nb O F\n2 1 3 1\ndirect\n0.650512 0.650512 0.000000 K\n0.344483 0.344483 0.000000 K\n0.987404 0.987404 0.000000 Nb\n0.503939 0.003939 0.500000 O\n0.003939 0.503939 0.500000 O\n0.855189 0.855189 0.000000 O\n0.154534 0.154534 0.000000 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"K",
"Nb",
"O",
"F"
],
"chemical_system": "F-K-Nb-O",
"density": 3.5209345091915,
"density_atomic": 0.06233733827004095,
"volume": 112.29225042744838,
"volume_molar": 9.660567690446632,
"formula_full": "K2 Nb1 O3 F1",
"formula_reduced": "K2NbO3F",
"formula_anonymous": "ABC2D3",
"energy": -49.267141730000006,
"energy_per_atom": -7.038163104285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.74414173,
"band_gap": 1.2883,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.662000Z",
"spacegroup": 107
},
{
"id": "mp-1205671",
"created_at": "2022-09-04T14:43:36.466745Z",
"structure_string": "Ba4 Ta2 Fe2 O12\n1.0\n-4.101078 -4.101078 0.000000\n0.000000 4.101078 -4.101078\n4.101078 -4.101078 -8.202156\nBa Ta Fe O\n4 2 2 12\ndirect\n0.875000 0.750000 0.375000 Ba\n0.375000 0.750000 0.875000 Ba\n0.625000 0.250000 0.125000 Ba\n0.125000 0.250000 0.625000 Ba\n0.250000 0.500000 0.250000 Ta\n0.750000 0.500000 0.750000 Ta\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.619041 0.746027 0.126986 O\n0.119041 0.746027 0.626986 O\n0.880959 0.253973 0.373014 O\n0.380959 0.253973 0.873014 O\n0.373014 0.253973 0.373014 O\n0.873014 0.253973 0.873014 O\n0.126986 0.746027 0.126986 O\n0.626986 0.746027 0.626986 O\n0.373014 0.746027 0.373014 O\n0.873014 0.746027 0.873014 O\n0.126986 0.253973 0.126986 O\n0.626986 0.253973 0.626986 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Ta",
"density": 7.311908458103994,
"density_atomic": 0.0724896355329732,
"volume": 275.90151133954373,
"volume_molar": 8.307588685917343,
"formula_full": "Ba4 Ta2 Fe2 O12",
"formula_reduced": "Ba2TaFeO6",
"formula_anonymous": "ABC2D6",
"energy": -167.84960705,
"energy_per_atom": -8.3924803525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.09360705,
"band_gap": 1.8623,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.650000Z",
"spacegroup": 225
},
{
"id": "mp-568727",
"created_at": "2022-09-04T14:43:36.550748Z",
"structure_string": "Er1 Rh3 C1\n1.0\n4.170022 0.000000 0.000000\n0.000000 4.170022 0.000000\n0.000000 0.000000 4.170022\nEr Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Rh",
"C"
],
"chemical_system": "C-Er-Rh",
"density": 11.174847351710104,
"density_atomic": 0.06895328571460392,
"volume": 72.51286067345487,
"volume_molar": 8.733653077716271,
"formula_full": "Er1 Rh3 C1",
"formula_reduced": "ErRh3C",
"formula_anonymous": "ABC3",
"energy": -38.52758428,
"energy_per_atom": -7.705516856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.52758428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010044,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.250000Z",
"spacegroup": 221
},
{
"id": "mp-639347",
"created_at": "2022-09-04T14:43:36.589568Z",
"structure_string": "Ba1 Eu1 Fe2 O5\n1.0\n3.973065 0.011794 0.006165\n0.010827 3.992240 0.005048\n0.011171 0.009136 7.743797\nBa Eu Fe O\n1 1 2 5\ndirect\n0.000655 0.000819 0.989019 Ba\n0.999541 0.999427 0.503242 Eu\n0.500678 0.500486 0.249824 Fe\n0.500185 0.499993 0.738071 Fe\n0.500008 0.000999 0.701607 O\n0.499788 0.999271 0.304669 O\n0.001319 0.500093 0.702029 O\n0.999156 0.499756 0.304835 O\n0.498669 0.499156 0.006704 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Fe",
"O"
],
"chemical_system": "Ba-Eu-Fe-O",
"density": 6.502541758704234,
"density_atomic": 0.0732742445683684,
"volume": 122.82624069365282,
"volume_molar": 8.218632338653526,
"formula_full": "Ba1 Eu1 Fe2 O5",
"formula_reduced": "BaEuFe2O5",
"formula_anonymous": "ABC2D5",
"energy": -75.14656918,
"energy_per_atom": -8.349618797777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.19956918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.8414639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.420000Z",
"spacegroup": 99
},
{
"id": "mp-755286",
"created_at": "2022-09-04T14:43:38.785973Z",
"structure_string": "Cr6 O6\n1.0\n3.004667 0.000000 0.000000\n0.000000 3.155690 0.000000\n0.000000 0.000000 16.476291\nCr O\n6 6\ndirect\n0.500000 0.892345 0.835083 Cr\n0.000000 0.647687 0.500000 Cr\n0.500000 0.892345 0.164917 Cr\n0.000000 0.320933 0.000000 Cr\n0.500000 0.115550 0.334809 Cr\n0.500000 0.115550 0.665191 Cr\n0.000000 0.040010 0.751283 O\n0.000000 0.820629 0.918196 O\n0.000000 0.820629 0.081804 O\n0.000000 0.040010 0.248717 O\n0.000000 0.150387 0.418349 O\n0.000000 0.150387 0.581651 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 4.3364104764899745,
"density_atomic": 0.07681236049910922,
"volume": 156.2248565468726,
"volume_molar": 7.840067302800619,
"formula_full": "Cr6 O6",
"formula_reduced": "CrO",
"formula_anonymous": "AB",
"energy": -109.21665357,
"energy_per_atom": -9.101387797500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.10065357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0119318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.176000Z",
"spacegroup": 25
},
{
"id": "mp-8130",
"created_at": "2022-09-04T14:43:35.819993Z",
"structure_string": "Ca4 Ge4 O12\n1.0\n5.331810 0.000000 0.000000\n0.000000 5.374453 0.000000\n0.000000 0.000000 7.552712\nCa Ge O\n4 4 12\ndirect\n0.991651 0.039878 0.250000 Ca\n0.491651 0.460122 0.750000 Ca\n0.508349 0.539878 0.250000 Ca\n0.008349 0.960122 0.750000 Ca\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.500000 Ge\n0.710439 0.287870 0.461592 O\n0.210439 0.212130 0.538408 O\n0.789561 0.787870 0.038408 O\n0.289561 0.712130 0.961592 O\n0.289561 0.712130 0.538408 O\n0.789561 0.787870 0.461592 O\n0.210439 0.212130 0.961592 O\n0.710439 0.287870 0.038408 O\n0.073741 0.483987 0.250000 O\n0.573740 0.016013 0.750000 O\n0.426260 0.983987 0.250000 O\n0.926260 0.516013 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O",
"density": 4.932384058856298,
"density_atomic": 0.09240982270324226,
"volume": 216.4272088717933,
"volume_molar": 6.5167755805993,
"formula_full": "Ca4 Ge4 O12",
"formula_reduced": "CaGeO3",
"formula_anonymous": "ABC3",
"energy": -138.74216379,
"energy_per_atom": -6.9371081895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.49816379,
"band_gap": 2.0287,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.150000Z",
"spacegroup": 62
},
{
"id": "mp-974420",
"created_at": "2022-09-04T14:43:35.854818Z",
"structure_string": "Re3 Mo1\n1.0\n-1.976156 1.976156 3.928233\n1.976156 -1.976156 3.928233\n1.976156 1.976156 -3.928233\nRe Mo\n3 1\ndirect\n0.750000 0.250000 0.500000 Re\n0.250000 0.750000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Re",
"Mo"
],
"chemical_system": "Mo-Re",
"density": 17.713302584791357,
"density_atomic": 0.0651868971887717,
"volume": 61.3620247703551,
"volume_molar": 9.238268762142127,
"formula_full": "Re3 Mo1",
"formula_reduced": "Re3Mo",
"formula_anonymous": "AB3",
"energy": -47.69050465,
"energy_per_atom": -11.9226261625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.69050465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0067415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.247000Z",
"spacegroup": 139
}
]
}