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=volume_molar&page=10182",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10180",
"results": [
{
"id": "mp-30454",
"created_at": "2022-09-04T14:40:17.430804Z",
"structure_string": "Er1 Bi1 Pt1\n1.0\n0.000000 3.356661 3.356661\n3.356661 0.000000 3.356661\n3.356661 3.356661 0.000000\nEr Bi Pt\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Er",
"Bi",
"Pt"
],
"chemical_system": "Bi-Er-Pt",
"density": 12.542342782057517,
"density_atomic": 0.039661470396533303,
"volume": 75.64016084139486,
"volume_molar": 15.183856523197331,
"formula_full": "Er1 Bi1 Pt1",
"formula_reduced": "ErBiPt",
"formula_anonymous": "ABC",
"energy": -17.60337538,
"energy_per_atom": -5.867791793333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.60337538,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007323,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.695000Z",
"spacegroup": 216
},
{
"id": "mp-1217357",
"created_at": "2022-09-04T14:47:55.439938Z",
"structure_string": "Te8 Ir3\n1.0\n4.576759 -4.646794 0.000000\n4.576759 4.646794 0.000000\n-0.141142 0.000000 6.520698\nTe Ir\n8 3\ndirect\n0.868135 0.123490 0.370050 Te\n0.370050 0.868135 0.123490 Te\n0.123490 0.370050 0.868135 Te\n0.631611 0.631611 0.631611 Te\n0.131865 0.876510 0.629950 Te\n0.629950 0.131865 0.876510 Te\n0.876510 0.629950 0.131865 Te\n0.368389 0.368389 0.368389 Te\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Te",
"Ir"
],
"chemical_system": "Ir-Te",
"density": 9.564033671940269,
"density_atomic": 0.03966040443699286,
"volume": 277.3547107285637,
"volume_molar": 15.184264622331753,
"formula_full": "Te8 Ir3",
"formula_reduced": "Te8Ir3",
"formula_anonymous": "A3B8",
"energy": -57.8431156,
"energy_per_atom": -5.2584650545454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.4671156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.716000Z",
"spacegroup": 148
},
{
"id": "mp-1217180",
"created_at": "2022-09-04T14:44:17.361540Z",
"structure_string": "Ti4 Te6\n1.0\n6.625711 -3.391029 0.000000\n6.625711 3.391029 0.000000\n4.890188 0.000000 5.611166\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.159779 0.159779 0.159779 Ti\n0.840221 0.840221 0.840221 Ti\n0.000000 0.000000 0.000000 Ti\n0.923245 0.574295 0.264345 Te\n0.264345 0.923245 0.574295 Te\n0.574295 0.264345 0.923245 Te\n0.425705 0.735655 0.076755 Te\n0.735655 0.076755 0.425705 Te\n0.076755 0.425705 0.735655 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"Te"
],
"chemical_system": "Te-Ti",
"density": 6.302963434426956,
"density_atomic": 0.039660016864391454,
"volume": 252.14311013010308,
"volume_molar": 15.184413008676627,
"formula_full": "Ti4 Te6",
"formula_reduced": "Ti2Te3",
"formula_anonymous": "A2B3",
"energy": -60.20207453,
"energy_per_atom": -6.020207452999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.67007453,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0165421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.193000Z",
"spacegroup": 148
},
{
"id": "mp-1026533",
"created_at": "2022-09-04T14:41:03.571227Z",
"structure_string": "Ba1 Mg14 Cd1\n1.0\n6.636238 -0.009940 0.000000\n-3.326727 5.762060 0.000000\n0.000000 0.000000 10.559499\nBa Mg Cd\n1 14 1\ndirect\n0.166651 0.333325 0.125000 Ba\n0.166663 0.333331 0.625000 Mg\n0.163270 0.831635 0.625000 Mg\n0.659113 0.316269 0.125000 Mg\n0.668109 0.336642 0.625000 Mg\n0.659113 0.842843 0.125000 Mg\n0.668109 0.831466 0.625000 Mg\n0.338532 0.159712 0.389455 Mg\n0.338532 0.159712 0.860545 Mg\n0.338532 0.678821 0.389455 Mg\n0.338532 0.678821 0.860545 Mg\n0.820604 0.160303 0.390024 Mg\n0.820604 0.160303 0.859976 Mg\n0.833805 0.666903 0.368765 Mg\n0.833805 0.666903 0.881235 Mg\n0.186023 0.843011 0.125000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.428508820602485,
"density_atomic": 0.03965999636513071,
"volume": 403.4291847305182,
"volume_molar": 15.184420857120148,
"formula_full": "Ba1 Mg14 Cd1",
"formula_reduced": "BaMg14Cd",
"formula_anonymous": "ABC14",
"energy": -24.4761199,
"energy_per_atom": -1.52975749375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.4761199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.575000Z",
"spacegroup": 38
},
{
"id": "mp-862293",
"created_at": "2022-09-04T14:46:08.998306Z",
"structure_string": "La2 Ag1 Ir1\n1.0\n0.000000 3.694617 3.694617\n3.694617 0.000000 3.694617\n3.694617 3.694617 0.000000\nLa Ag Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-La",
"density": 9.513944701153067,
"density_atomic": 0.039657170364903,
"volume": 100.86448335053277,
"volume_molar": 15.18550291053962,
"formula_full": "La2 Ag1 Ir1",
"formula_reduced": "La2AgIr",
"formula_anonymous": "ABC2",
"energy": -23.40986293,
"energy_per_atom": -5.8524657325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.40986293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.071000Z",
"spacegroup": 225
},
{
"id": "mp-181",
"created_at": "2022-09-04T14:47:59.626391Z",
"structure_string": "K3 Ga9\n1.0\n-3.179423 3.179423 7.483472\n3.179423 -3.179423 7.483472\n3.179423 3.179423 -7.483472\nK Ga\n3 9\ndirect\n0.126662 0.626662 0.500000 K\n0.373338 0.873338 0.500000 K\n0.000000 0.000000 0.000000 K\n0.778169 0.572330 0.794162 Ga\n0.015993 0.221831 0.794162 Ga\n0.697774 0.392377 0.305397 Ga\n0.607623 0.913021 0.305397 Ga\n0.607623 0.302226 0.694603 Ga\n0.086979 0.392377 0.694603 Ga\n0.778169 0.984007 0.205838 Ga\n0.427670 0.221831 0.205838 Ga\n0.500000 0.500000 0.000000 Ga\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 4.087239819342063,
"density_atomic": 0.03965714940382552,
"volume": 302.593609989588,
"volume_molar": 15.185510936948676,
"formula_full": "K3 Ga9",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy": -32.71836567,
"energy_per_atom": -2.7265304725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.71836567,
"band_gap": 0.1478999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003845,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.877000Z",
"spacegroup": 119
},
{
"id": "mp-1208911",
"created_at": "2022-09-04T14:41:48.812026Z",
"structure_string": "Sm8 As6\n1.0\n-4.452281 4.452281 4.452281\n4.452281 -4.452281 4.452281\n4.452281 4.452281 -4.452281\nSm As\n8 6\ndirect\n0.364904 0.364904 0.364904 Sm\n0.135096 0.500000 0.000000 Sm\n0.000000 0.135096 0.500000 Sm\n0.864904 0.864904 0.864904 Sm\n0.500000 0.000000 0.135096 Sm\n0.635096 0.500000 0.000000 Sm\n0.500000 0.000000 0.635096 Sm\n0.000000 0.635096 0.500000 Sm\n0.125000 0.875000 0.250000 As\n0.375000 0.625000 0.750000 As\n0.875000 0.250000 0.125000 As\n0.625000 0.750000 0.375000 As\n0.250000 0.125000 0.875000 As\n0.750000 0.375000 0.625000 As\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"As"
],
"chemical_system": "As-Sm",
"density": 7.772471104775349,
"density_atomic": 0.03965704452880899,
"volume": 353.02681191558924,
"volume_molar": 15.18555109578374,
"formula_full": "Sm8 As6",
"formula_reduced": "Sm4As3",
"formula_anonymous": "A3B4",
"energy": -83.49369506,
"energy_per_atom": -5.963835361428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.49369506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0145211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.407000Z",
"spacegroup": 220
},
{
"id": "mp-23265",
"created_at": "2022-09-04T14:41:35.698072Z",
"structure_string": "Gd2 Cl6\n1.0\n3.780732 -6.548420 0.000000\n3.780732 6.548420 0.000000\n0.000000 0.000000 4.074125\nGd Cl\n2 6\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n0.395781 0.304445 0.250000 Cl\n0.091336 0.395781 0.750000 Cl\n0.304445 0.908664 0.750000 Cl\n0.695555 0.091336 0.250000 Cl\n0.908664 0.604219 0.250000 Cl\n0.604219 0.695555 0.750000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd",
"density": 4.339728517967004,
"density_atomic": 0.03965639413588306,
"volume": 201.73291531721,
"volume_molar": 15.185800149567484,
"formula_full": "Gd2 Cl6",
"formula_reduced": "GdCl3",
"formula_anonymous": "AB3",
"energy": -60.85112174,
"energy_per_atom": -7.6063902175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.16712174,
"band_gap": 2.0054,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0011553,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.965000Z",
"spacegroup": 176
},
{
"id": "mp-652364",
"created_at": "2022-09-04T14:47:45.237143Z",
"structure_string": "P20 N20 Cl40\n1.0\n6.403344 0.000000 0.000000\n0.000000 15.816954 0.000000\n0.000000 0.000000 19.918418\nP N Cl\n20 20 40\ndirect\n0.664301 0.140707 0.163998 P\n0.491146 0.120905 0.636571 P\n0.151177 0.411913 0.503408 P\n0.649475 0.994942 0.741480 P\n0.991146 0.379095 0.363429 P\n0.335699 0.640707 0.336002 P\n0.149475 0.505058 0.258520 P\n0.166154 0.417173 0.982494 P\n0.833846 0.917173 0.517506 P\n0.651177 0.088087 0.496592 P\n0.850525 0.005058 0.241480 P\n0.350525 0.494942 0.758520 P\n0.348823 0.588087 0.003408 P\n0.835699 0.859293 0.663998 P\n0.008854 0.879095 0.136571 P\n0.508854 0.620905 0.863429 P\n0.164301 0.359293 0.836002 P\n0.666154 0.082827 0.017506 P\n0.848823 0.911913 0.996592 P\n0.333846 0.582827 0.482494 P\n0.188732 0.405325 0.905102 N\n0.518542 0.116005 0.558765 N\n0.245248 0.595590 0.271490 N\n0.754752 0.095590 0.228510 N\n0.981458 0.883995 0.058765 N\n0.745248 0.904410 0.728510 N\n0.787929 0.006903 0.985143 N\n0.254752 0.404410 0.771490 N\n0.212071 0.506903 0.514857 N\n0.287929 0.493097 0.014857 N\n0.929757 0.956753 0.178097 N\n0.570243 0.043247 0.678097 N\n0.018542 0.383995 0.441235 N\n0.429757 0.543247 0.821903 N\n0.712071 0.993097 0.485143 N\n0.481458 0.616005 0.941235 N\n0.311268 0.594675 0.405102 N\n0.811268 0.905325 0.594898 N\n0.688732 0.094675 0.094898 N\n0.070243 0.456753 0.321903 N\n0.708772 0.741932 0.659861 Cl\n0.641983 0.666316 0.319584 Cl\n0.263290 0.313255 0.032586 Cl\n0.119452 0.270163 0.328785 Cl\n0.358440 0.075499 0.992905 Cl\n0.516767 0.621170 0.084729 Cl\n0.644897 0.933996 0.294876 Cl\n0.183259 0.138855 0.652772 Cl\n0.208772 0.758068 0.340139 Cl\n0.858440 0.424501 0.007095 Cl\n0.144897 0.566004 0.705124 Cl\n0.355103 0.433996 0.205124 Cl\n0.416865 0.978407 0.809045 Cl\n0.583135 0.478407 0.690955 Cl\n0.858017 0.333684 0.819584 Cl\n0.791228 0.258068 0.159861 Cl\n0.380548 0.729837 0.828785 Cl\n0.236710 0.686745 0.532586 Cl\n0.083135 0.021593 0.309045 Cl\n0.316741 0.861144 0.152772 Cl\n0.880548 0.770163 0.171215 Cl\n0.908368 0.162300 0.489464 Cl\n0.619452 0.229837 0.671215 Cl\n0.816741 0.638856 0.847228 Cl\n0.641560 0.575499 0.507095 Cl\n0.091632 0.662300 0.010536 Cl\n0.916865 0.521593 0.190955 Cl\n0.016767 0.878830 0.915271 Cl\n0.291228 0.241932 0.840139 Cl\n0.141983 0.833684 0.680416 Cl\n0.358017 0.166316 0.180416 Cl\n0.736710 0.813255 0.467414 Cl\n0.763290 0.186745 0.967414 Cl\n0.483233 0.121170 0.415271 Cl\n0.591632 0.837700 0.989464 Cl\n0.855103 0.066004 0.794876 Cl\n0.141560 0.924501 0.492905 Cl\n0.983233 0.378830 0.584729 Cl\n0.683259 0.361144 0.347228 Cl\n0.408368 0.337700 0.510536 Cl\n",
"nsites": 80,
"nelements": 3,
"elements": [
"P",
"N",
"Cl"
],
"chemical_system": "Cl-N-P",
"density": 1.907775512337224,
"density_atomic": 0.03965568533016806,
"volume": 2017.3652109131501,
"volume_molar": 15.186071580557597,
"formula_full": "P20 N20 Cl40",
"formula_reduced": "PNCl2",
"formula_anonymous": "ABC2",
"energy": -426.45651448,
"energy_per_atom": -5.330706431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -394.67651448,
"band_gap": 3.9206,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0463082,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.138000Z",
"spacegroup": 19
},
{
"id": "mp-29626",
"created_at": "2022-09-04T14:40:42.476054Z",
"structure_string": "Na8 Sn6 S16\n1.0\n3.716728 5.719025 0.000000\n-3.716728 5.719025 0.000000\n0.000000 1.544023 17.795275\nNa Sn S\n8 6 16\ndirect\n0.098166 0.428104 0.376129 Na\n0.901834 0.571896 0.623871 Na\n0.428104 0.098166 0.876129 Na\n0.571896 0.901834 0.123871 Na\n0.485829 0.232813 0.664052 Na\n0.767187 0.514171 0.835948 Na\n0.232813 0.485829 0.164052 Na\n0.514171 0.767187 0.335948 Na\n0.267836 0.934764 0.532432 Sn\n0.065236 0.732164 0.967568 Sn\n0.732164 0.065236 0.467568 Sn\n0.934764 0.267836 0.032432 Sn\n0.083402 0.916598 0.750000 Sn\n0.916598 0.083402 0.250000 Sn\n0.131110 0.828717 0.426985 S\n0.171283 0.868890 0.073015 S\n0.337877 0.701368 0.649709 S\n0.701368 0.337877 0.149709 S\n0.298632 0.662123 0.850291 S\n0.662123 0.298632 0.350291 S\n0.266232 0.328688 0.015691 S\n0.671312 0.733768 0.484309 S\n0.733768 0.671312 0.984309 S\n0.328688 0.266232 0.515691 S\n0.746843 0.887343 0.752687 S\n0.112657 0.253157 0.747313 S\n0.253157 0.112657 0.247313 S\n0.887343 0.746843 0.252687 S\n0.868890 0.171283 0.573015 S\n0.828717 0.131110 0.926985 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Na",
"Sn",
"S"
],
"chemical_system": "Na-S-Sn",
"density": 3.0932131863797667,
"density_atomic": 0.03965553202559435,
"volume": 756.5148786968106,
"volume_molar": 15.186130288488396,
"formula_full": "Na8 Sn6 S16",
"formula_reduced": "Na4Sn3S8",
"formula_anonymous": "A3B4C8",
"energy": -130.91078847,
"energy_per_atom": -4.363692949,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.86278847,
"band_gap": 1.6505999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.815000Z",
"spacegroup": 15
},
{
"id": "mp-1209802",
"created_at": "2022-09-04T14:46:03.319972Z",
"structure_string": "Pr12 Ni4 Ge8\n1.0\n4.318597 0.000000 0.000000\n0.000000 11.763305 0.000000\n0.000000 0.000000 11.913559\nPr Ni Ge\n12 4 8\ndirect\n0.250000 0.374391 0.058412 Pr\n0.750000 0.625609 0.941588 Pr\n0.750000 0.874391 0.441588 Pr\n0.250000 0.125609 0.558412 Pr\n0.250000 0.696583 0.215762 Pr\n0.750000 0.303417 0.784238 Pr\n0.750000 0.196583 0.284238 Pr\n0.250000 0.803417 0.715762 Pr\n0.250000 0.442404 0.383409 Pr\n0.750000 0.557596 0.616591 Pr\n0.750000 0.942404 0.116591 Pr\n0.250000 0.057596 0.883409 Pr\n0.250000 0.133738 0.129777 Ni\n0.750000 0.866262 0.870223 Ni\n0.750000 0.633738 0.370223 Ni\n0.250000 0.366262 0.629777 Ni\n0.250000 0.687205 0.475261 Ge\n0.750000 0.312795 0.524739 Ge\n0.750000 0.187205 0.024739 Ge\n0.250000 0.812795 0.975261 Ge\n0.250000 0.005484 0.303311 Ge\n0.750000 0.994516 0.696689 Ge\n0.750000 0.505484 0.196689 Ge\n0.250000 0.494516 0.803311 Ge\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Pr",
"density": 6.877849965612686,
"density_atomic": 0.03965497545986449,
"volume": 605.2203972308804,
"volume_molar": 15.186343428947817,
"formula_full": "Pr12 Ni4 Ge8",
"formula_reduced": "Pr3NiGe2",
"formula_anonymous": "AB2C3",
"energy": -134.34576571,
"energy_per_atom": -5.597740237916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.34576571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.325000Z",
"spacegroup": 62
},
{
"id": "mp-1026412",
"created_at": "2022-09-04T14:42:13.697090Z",
"structure_string": "Ba1 Mg14 Sn1\n1.0\n6.579997 0.000000 0.000000\n-3.289999 5.698444 0.000000\n0.000000 0.000000 10.760786\nBa Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ba\n0.161976 0.830988 0.125000 Mg\n0.178672 0.839336 0.625000 Mg\n0.669012 0.338024 0.125000 Mg\n0.660664 0.321328 0.625000 Mg\n0.669012 0.830988 0.125000 Mg\n0.660664 0.839336 0.625000 Mg\n0.338706 0.161294 0.363131 Mg\n0.338706 0.161294 0.886869 Mg\n0.338706 0.677414 0.363131 Mg\n0.338706 0.677414 0.886869 Mg\n0.822586 0.161294 0.363131 Mg\n0.822586 0.161294 0.886869 Mg\n0.833333 0.666667 0.382398 Mg\n0.833333 0.666667 0.867602 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sn"
],
"chemical_system": "Ba-Mg-Sn",
"density": 2.45410437691576,
"density_atomic": 0.03965463964736579,
"volume": 403.48368166454543,
"volume_molar": 15.186472033418273,
"formula_full": "Ba1 Mg14 Sn1",
"formula_reduced": "BaMg14Sn",
"formula_anonymous": "ABC14",
"energy": -27.55930114,
"energy_per_atom": -1.72245632125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.55930114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.183000Z",
"spacegroup": 187
}
]
}