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=formation_energy_per_atom&page=10116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10114",
"results": [
{
"id": "mp-867310",
"created_at": "2022-09-04T14:45:39.764844Z",
"structure_string": "Ce1 Sn1 Au2\n1.0\n0.000000 3.573377 3.573377\n3.573377 0.000000 3.573377\n3.573377 3.573377 0.000000\nCe Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"Au"
],
"chemical_system": "Au-Ce-Sn",
"density": 11.877787433001295,
"density_atomic": 0.043832221534438026,
"volume": 91.25706751726665,
"volume_molar": 13.739072648345088,
"formula_full": "Ce1 Sn1 Au2",
"formula_reduced": "CeSnAu2",
"formula_anonymous": "ABC2",
"energy": -19.12164892,
"energy_per_atom": -4.78041223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.12164892,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.990000Z",
"spacegroup": 225
},
{
"id": "mp-755579",
"created_at": "2022-09-04T14:45:39.815602Z",
"structure_string": "Na12 Ni4 O8\n1.0\n5.540672 0.000000 0.000000\n0.000000 6.307106 0.000000\n0.000000 0.000000 10.820709\nNa Ni O\n12 4 8\ndirect\n0.722243 0.250000 0.588000 Na\n0.138291 0.502895 0.641745 Na\n0.138291 0.997105 0.641745 Na\n0.638291 0.497105 0.858255 Na\n0.638291 0.002895 0.858255 Na\n0.222243 0.750000 0.912000 Na\n0.777757 0.250000 0.088000 Na\n0.361709 0.997105 0.141745 Na\n0.361709 0.502895 0.141745 Na\n0.861709 0.497105 0.358255 Na\n0.861709 0.002895 0.358255 Na\n0.277757 0.750000 0.412000 Na\n0.649873 0.750000 0.614676 Ni\n0.149873 0.250000 0.885324 Ni\n0.850127 0.750000 0.114676 Ni\n0.350127 0.250000 0.385324 Ni\n0.906811 0.750000 0.516106 O\n0.409161 0.750000 0.725100 O\n0.909161 0.250000 0.774900 O\n0.406811 0.250000 0.983894 O\n0.593189 0.750000 0.016106 O\n0.090839 0.750000 0.225100 O\n0.590839 0.250000 0.274900 O\n0.093189 0.250000 0.483894 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Ni",
"O"
],
"chemical_system": "Na-Ni-O",
"density": 2.8045360453047867,
"density_atomic": 0.06346918953345049,
"volume": 378.13622919119143,
"volume_molar": 9.488289994354064,
"formula_full": "Na12 Ni4 O8",
"formula_reduced": "Na3NiO2",
"formula_anonymous": "AB2C3",
"energy": -106.91434128,
"energy_per_atom": -4.45476422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.25434128,
"band_gap": 1.3346999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9983212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.764000Z",
"spacegroup": 62
},
{
"id": "mp-1213117",
"created_at": "2022-09-04T14:45:39.831660Z",
"structure_string": "Dy2 Cu1 Se2 O1\n1.0\n3.534794 0.000000 0.000000\n0.000000 3.534794 0.000000\n0.000000 0.000000 14.057960\nDy Cu Se O\n2 1 2 1\ndirect\n0.500000 0.500000 0.643618 Dy\n0.500000 0.500000 0.356382 Dy\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.159138 Se\n0.500000 0.500000 0.840862 Se\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Dy",
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-Dy-O-Se",
"density": 5.3173394758886845,
"density_atomic": 0.0341586523938066,
"volume": 175.6509575034604,
"volume_molar": 17.629913178576945,
"formula_full": "Dy2 Cu1 Se2 O1",
"formula_reduced": "Dy2CuSe2O",
"formula_anonymous": "ABC2D2",
"energy": -30.264273770000003,
"energy_per_atom": -5.0440456283333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.63327377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1866324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.063000Z",
"spacegroup": 123
},
{
"id": "mp-1214623",
"created_at": "2022-09-04T14:45:39.836272Z",
"structure_string": "Ba24 N16\n1.0\n-6.591127 6.591127 6.591127\n6.591127 -6.591127 6.591127\n6.591127 6.591127 -6.591127\nBa N\n24 16\ndirect\n0.046338 0.272941 0.002745 Ba\n0.953662 0.727059 0.997255 Ba\n0.453662 0.456407 0.226603 Ba\n0.729804 0.227059 0.273397 Ba\n0.272941 0.002745 0.046338 Ba\n0.546338 0.543593 0.773397 Ba\n0.270196 0.772941 0.726603 Ba\n0.727059 0.997255 0.953662 Ba\n0.770196 0.043593 0.497255 Ba\n0.456407 0.226603 0.453662 Ba\n0.229804 0.956407 0.502745 Ba\n0.543593 0.773397 0.546338 Ba\n0.227059 0.273397 0.729804 Ba\n0.772941 0.726603 0.270196 Ba\n0.043593 0.497255 0.770196 Ba\n0.956407 0.502745 0.229804 Ba\n0.002745 0.046338 0.272941 Ba\n0.997255 0.953662 0.727059 Ba\n0.273397 0.729804 0.227059 Ba\n0.726603 0.270196 0.772941 Ba\n0.497255 0.770196 0.043593 Ba\n0.502745 0.229804 0.956407 Ba\n0.226603 0.453662 0.456407 Ba\n0.773397 0.546338 0.543593 Ba\n0.193000 0.943000 0.250000 N\n0.807000 0.057000 0.750000 N\n0.307000 0.557000 0.750000 N\n0.943000 0.250000 0.193000 N\n0.693000 0.443000 0.250000 N\n0.057000 0.750000 0.807000 N\n0.557000 0.750000 0.307000 N\n0.443000 0.250000 0.693000 N\n0.250000 0.193000 0.943000 N\n0.750000 0.807000 0.057000 N\n0.750000 0.307000 0.557000 N\n0.250000 0.693000 0.443000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Ba",
"N"
],
"chemical_system": "Ba-N",
"density": 5.103254211513729,
"density_atomic": 0.03492375721874982,
"volume": 1145.3521380719271,
"volume_molar": 17.243679488090255,
"formula_full": "Ba24 N16",
"formula_reduced": "Ba3N2",
"formula_anonymous": "A2B3",
"energy": -197.71174066,
"energy_per_atom": -4.9427935165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.93574066,
"band_gap": 0.0977999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0092661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.861000Z",
"spacegroup": 206
},
{
"id": "mp-1218128",
"created_at": "2022-09-04T14:45:39.838061Z",
"structure_string": "Sr2 Nd2 Ga6 O14\n1.0\n5.685449 -5.743005 0.000000\n5.685449 5.743005 0.000000\n0.000000 0.000000 5.352390\nSr Nd Ga O\n2 2 6 14\ndirect\n0.161543 0.838457 0.490237 Sr\n0.838457 0.161543 0.490237 Sr\n0.661624 0.661624 0.512503 Nd\n0.338376 0.338376 0.512503 Nd\n0.358070 0.641930 0.033825 Ga\n0.853822 0.853822 0.966923 Ga\n0.641930 0.358070 0.033825 Ga\n0.146178 0.146178 0.966923 Ga\n0.500000 0.000000 0.996919 Ga\n0.000000 0.500000 0.996919 Ga\n0.417881 0.835176 0.203922 O\n0.903231 0.657716 0.790232 O\n0.582119 0.164824 0.203922 O\n0.096769 0.342284 0.790232 O\n0.342284 0.096769 0.790232 O\n0.835176 0.417881 0.203922 O\n0.657716 0.903231 0.790232 O\n0.164824 0.582119 0.203922 O\n0.000000 0.000000 0.817679 O\n0.500000 0.500000 0.207570 O\n0.371620 0.628380 0.693587 O\n0.848268 0.848268 0.305072 O\n0.628380 0.371620 0.693587 O\n0.151732 0.151732 0.305072 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O-Sr",
"density": 5.254647196547145,
"density_atomic": 0.06866406851750806,
"volume": 349.5277882329452,
"volume_molar": 8.770439751126116,
"formula_full": "Sr2 Nd2 Ga6 O14",
"formula_reduced": "SrNdGa3O7",
"formula_anonymous": "ABC3D7",
"energy": -168.31403944,
"energy_per_atom": -7.013084976666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.69603944,
"band_gap": 3.268,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.077000Z",
"spacegroup": 35
},
{
"id": "mp-673247",
"created_at": "2022-09-04T14:45:39.846555Z",
"structure_string": "Y4 O6\n1.0\n5.292715 0.000000 0.000000\n0.000000 5.292715 0.000000\n0.000000 0.000000 5.292715\nY O\n4 6\ndirect\n0.250000 0.250000 0.750000 Y\n0.750000 0.250000 0.250000 Y\n0.250000 0.750000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"O"
],
"chemical_system": "O-Y",
"density": 5.058089909619062,
"density_atomic": 0.06744728513450511,
"volume": 148.26393649585364,
"volume_molar": 8.928662952097318,
"formula_full": "Y4 O6",
"formula_reduced": "Y2O3",
"formula_anonymous": "A2B3",
"energy": -90.33411446,
"energy_per_atom": -9.033411445999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.21211446000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.539000Z",
"spacegroup": 224
},
{
"id": "mp-1191229",
"created_at": "2022-09-04T14:45:40.783285Z",
"structure_string": "Dy6 Ga2 Fe2 Se14\n1.0\n0.000000 0.000000 -6.418065\n-4.991572 -8.625832 0.000000\n-4.997002 8.628986 0.000000\nDy Ga Fe Se\n6 2 2 14\ndirect\n0.821437 0.157487 0.785424 Dy\n0.821884 0.214654 0.372481 Dy\n0.821792 0.627583 0.841930 Dy\n0.321437 0.842513 0.214576 Dy\n0.321884 0.785346 0.627519 Dy\n0.321792 0.372417 0.158070 Dy\n0.898189 0.666657 0.333316 Ga\n0.398189 0.333343 0.666684 Ga\n0.492627 0.000017 0.999773 Fe\n0.992627 0.999983 0.000227 Fe\n0.553400 0.437827 0.919769 Se\n0.553316 0.080158 0.518577 Se\n0.553756 0.481935 0.561942 Se\n0.053400 0.562173 0.080231 Se\n0.053316 0.919842 0.481423 Se\n0.053756 0.518065 0.438058 Se\n0.523878 0.666659 0.333116 Se\n0.023878 0.333341 0.666884 Se\n0.736787 0.869503 0.768605 Se\n0.736674 0.229989 0.100125 Se\n0.736860 0.900112 0.129068 Se\n0.236787 0.130497 0.231395 Se\n0.236674 0.770011 0.899875 Se\n0.236860 0.099888 0.870932 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Dy",
"Ga",
"Fe",
"Se"
],
"chemical_system": "Dy-Fe-Ga-Se",
"density": 7.000204495669273,
"density_atomic": 0.04339336157477015,
"volume": 553.0799903263112,
"volume_molar": 13.878023138685352,
"formula_full": "Dy6 Ga2 Fe2 Se14",
"formula_reduced": "Dy3GaFeSe7",
"formula_anonymous": "ABC3D7",
"energy": -136.54621467,
"energy_per_atom": -5.689425611250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.93821467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2979425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.681000Z",
"spacegroup": 173
},
{
"id": "mp-1228399",
"created_at": "2022-09-04T14:45:40.986562Z",
"structure_string": "Ba2 Sr1 V2 O8\n1.0\n7.252280 -2.923988 0.000000\n7.252280 2.923988 0.000000\n6.073382 0.000000 4.925374\nBa Sr V O\n2 1 2 8\ndirect\n0.203916 0.203916 0.203916 Ba\n0.000231 0.000231 0.000231 Ba\n0.795020 0.795020 0.795020 Sr\n0.592746 0.592746 0.592746 V\n0.408070 0.408070 0.408070 V\n0.675307 0.675307 0.675307 O\n0.326617 0.326617 0.326617 O\n0.239759 0.726211 0.726211 O\n0.726211 0.726211 0.239759 O\n0.726211 0.239759 0.726211 O\n0.761144 0.272384 0.272384 O\n0.272384 0.272384 0.761144 O\n0.272384 0.761144 0.272384 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"V",
"O"
],
"chemical_system": "Ba-O-Sr-V",
"density": 4.7072047170565945,
"density_atomic": 0.06223346670444047,
"volume": 208.89082174611409,
"volume_molar": 9.676691784824369,
"formula_full": "Ba2 Sr1 V2 O8",
"formula_reduced": "Ba2SrV2O8",
"formula_anonymous": "AB2C2D8",
"energy": -102.39596843,
"energy_per_atom": -7.876612956153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.49996843,
"band_gap": 3.7201,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.974000Z",
"spacegroup": 160
},
{
"id": "mp-1183533",
"created_at": "2022-09-04T14:45:41.022182Z",
"structure_string": "Ca3 U1\n1.0\n0.000000 4.213333 4.213333\n4.213333 0.000000 4.213333\n4.213333 4.213333 0.000000\nCa U\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 U\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"U"
],
"chemical_system": "Ca-U",
"density": 3.9768901620217485,
"density_atomic": 0.026739460527499842,
"volume": 149.59164923638804,
"volume_molar": 22.52154920555188,
"formula_full": "Ca3 U1",
"formula_reduced": "Ca3U",
"formula_anonymous": "AB3",
"energy": -14.61115437,
"energy_per_atom": -3.6527885925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.61115437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0025225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.984000Z",
"spacegroup": 225
},
{
"id": "mp-1211002",
"created_at": "2022-09-04T14:45:41.032675Z",
"structure_string": "Li4 Ti12 Zn8 O32\n1.0\n8.487338 0.000000 0.000000\n0.000000 8.487338 0.000000\n0.000000 0.000000 8.487338\nLi Ti Zn O\n4 12 8 32\ndirect\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n0.875000 0.125000 0.625000 Li\n0.125000 0.130336 0.380336 Ti\n0.375000 0.869664 0.880336 Ti\n0.875000 0.630336 0.119664 Ti\n0.380336 0.125000 0.130336 Ti\n0.880336 0.375000 0.869664 Ti\n0.625000 0.369664 0.619664 Ti\n0.619664 0.625000 0.369664 Ti\n0.119664 0.875000 0.630336 Ti\n0.130336 0.380336 0.125000 Ti\n0.630336 0.119664 0.875000 Ti\n0.369664 0.619664 0.625000 Ti\n0.869664 0.880336 0.375000 Ti\n0.749235 0.749235 0.749235 Zn\n0.750765 0.250765 0.249235 Zn\n0.250765 0.249235 0.750765 Zn\n0.499235 0.999235 0.500765 Zn\n0.249235 0.750765 0.250765 Zn\n0.000765 0.000765 0.000765 Zn\n0.999235 0.500765 0.499235 Zn\n0.500765 0.499235 0.999235 Zn\n0.136587 0.136587 0.136587 O\n0.363413 0.863413 0.636587 O\n0.863413 0.636587 0.363413 O\n0.886587 0.386587 0.113413 O\n0.636587 0.363413 0.863413 O\n0.613413 0.613413 0.613413 O\n0.386587 0.113413 0.886587 O\n0.113413 0.886587 0.386587 O\n0.123473 0.358653 0.360943 O\n0.376527 0.641347 0.860943 O\n0.876527 0.858653 0.139057 O\n0.360943 0.123473 0.358653 O\n0.108653 0.373473 0.889057 O\n0.623473 0.141347 0.639057 O\n0.860943 0.376527 0.641347 O\n0.391347 0.626527 0.389057 O\n0.139057 0.876527 0.858653 O\n0.608653 0.126527 0.110943 O\n0.639057 0.623473 0.141347 O\n0.891347 0.873473 0.610943 O\n0.358653 0.360943 0.123473 O\n0.873473 0.610943 0.891347 O\n0.858653 0.139057 0.876527 O\n0.626527 0.389057 0.391347 O\n0.141347 0.639057 0.623473 O\n0.373473 0.889057 0.108653 O\n0.641347 0.860943 0.376527 O\n0.126527 0.110943 0.608653 O\n0.889057 0.108653 0.373473 O\n0.389057 0.391347 0.626527 O\n0.610943 0.891347 0.873473 O\n0.110943 0.608653 0.126527 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Zn",
"O"
],
"chemical_system": "Li-O-Ti-Zn",
"density": 4.4472844371539795,
"density_atomic": 0.0915953725404626,
"volume": 611.3845977891709,
"volume_molar": 6.574721618539949,
"formula_full": "Li4 Ti12 Zn8 O32",
"formula_reduced": "LiTi3Zn2O8",
"formula_anonymous": "AB2C3D8",
"energy": -432.45209633,
"energy_per_atom": -7.722358863035715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -410.46809633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0712684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.152000Z",
"spacegroup": 213
},
{
"id": "mp-1074061",
"created_at": "2022-09-04T14:45:41.035984Z",
"structure_string": "Mg18 Si10\n1.0\n7.133619 0.000000 0.000000\n-3.488978 6.238119 0.000000\n-0.023833 -0.929429 12.461288\nMg Si\n18 10\ndirect\n0.567243 0.439201 0.352182 Mg\n0.890938 0.229297 0.353734 Mg\n0.107460 0.760110 0.355921 Mg\n0.540331 0.094316 0.515842 Mg\n0.790147 0.811483 0.183360 Mg\n0.786577 0.835454 0.511957 Mg\n0.823173 0.800587 0.859607 Mg\n0.569854 0.414638 0.023754 Mg\n0.198402 0.328005 0.877399 Mg\n0.153455 0.916212 0.658502 Mg\n0.411977 0.008318 0.877560 Mg\n0.814977 0.155222 0.019772 Mg\n0.943909 0.246667 0.659304 Mg\n0.067104 0.658615 0.010131 Mg\n0.534870 0.449472 0.676724 Mg\n0.248978 0.488477 0.178950 Mg\n0.289390 0.590740 0.525111 Mg\n0.464986 0.020710 0.181668 Mg\n0.148860 0.074258 0.040997 Si\n0.571465 0.863240 0.691357 Si\n0.206446 0.174960 0.496877 Si\n0.178712 0.125385 0.268796 Si\n0.786097 0.386278 0.843820 Si\n0.519502 0.809180 0.349460 Si\n0.484569 0.741383 0.016232 Si\n0.837413 0.440945 0.185874 Si\n0.871043 0.507908 0.518337 Si\n0.191985 0.629103 0.767019 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.151075588755215,
"density_atomic": 0.050493041587272414,
"volume": 554.5318546834749,
"volume_molar": 11.926674588599111,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -83.13292526000001,
"energy_per_atom": -2.969033045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.84292526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.207000Z",
"spacegroup": 1
},
{
"id": "mp-644092",
"created_at": "2022-09-04T14:45:41.047304Z",
"structure_string": "Na2 Li1 Al1 H6\n1.0\n0.000000 3.671754 3.671754\n3.671754 0.000000 3.671754\n3.671754 3.671754 0.000000\nNa Li Al H\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Al\n0.761807 0.761807 0.238193 H\n0.238193 0.761807 0.238193 H\n0.761807 0.238193 0.238193 H\n0.238193 0.238193 0.761807 H\n0.761807 0.238193 0.761807 H\n0.238193 0.761807 0.761807 H\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Al",
"H"
],
"chemical_system": "Al-H-Li-Na",
"density": 1.4415935273154163,
"density_atomic": 0.10100648879434283,
"volume": 99.00354045927473,
"volume_molar": 5.962132563841076,
"formula_full": "Na2 Li1 Al1 H6",
"formula_reduced": "Na2LiAlH6",
"formula_anonymous": "ABC2D6",
"energy": -31.83728049,
"energy_per_atom": -3.183728049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.76328049,
"band_gap": 2.6364,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002115,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.307000Z",
"spacegroup": 225
}
]
}