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&page=73",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume&page=71",
"results": [
{
"id": "mp-1359",
"created_at": "2022-09-04T14:41:27.127934Z",
"structure_string": "Nb1 Ir1\n1.0\n2.884095 0.000000 0.000000\n0.000000 2.884095 0.000000\n0.000000 0.000000 3.897234\nNb Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Ir"
],
"chemical_system": "Ir-Nb",
"density": 14.60516010633782,
"density_atomic": 0.061695628056245726,
"volume": 32.41720788021917,
"volume_molar": 9.761049445043053,
"formula_full": "Nb1 Ir1",
"formula_reduced": "NbIr",
"formula_anonymous": "AB",
"energy": -19.97897518,
"energy_per_atom": -9.98948759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.97897518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:22.531000Z",
"spacegroup": 123
},
{
"id": "mp-1953",
"created_at": "2022-09-04T14:44:01.396480Z",
"structure_string": "Ti1 Al1\n1.0\n2.824105 0.000000 0.000000\n0.000000 2.824105 0.000000\n0.000000 0.000000 4.064712\nTi Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.8339016130398575,
"density_atomic": 0.06169337601922369,
"volume": 32.41839122852993,
"volume_molar": 9.761405759547829,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy": -12.45495691,
"energy_per_atom": -6.227478455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.45495691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031736,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.181000Z",
"spacegroup": 123
},
{
"id": "mp-506",
"created_at": "2022-09-04T14:41:04.912148Z",
"structure_string": "Mg1 Pd1\n1.0\n3.189009 0.000000 0.000000\n0.000000 3.189009 0.000000\n0.000000 0.000000 3.189009\nMg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 6.693303426320804,
"density_atomic": 0.06166841139280744,
"volume": 32.43151485224193,
"volume_molar": 9.765357375011575,
"formula_full": "Mg1 Pd1",
"formula_reduced": "MgPd",
"formula_anonymous": "AB",
"energy": -8.26381293,
"energy_per_atom": -4.131906465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.26381293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.874000Z",
"spacegroup": 221
},
{
"id": "mp-9",
"created_at": "2022-09-04T14:39:20.088274Z",
"structure_string": "Y1\n1.0\n0.000000 2.531321 2.531321\n2.531321 0.000000 2.531321\n2.531321 2.531321 0.000000\nY\n1\ndirect\n0.000000 0.000000 0.000000 Y\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.551009834796982,
"density_atomic": 0.03082679242677842,
"volume": 32.439314027732784,
"volume_molar": 19.53541152328494,
"formula_full": "Y1",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -6.44250777,
"energy_per_atom": -6.44250777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.44250777,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027099,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.668000Z",
"spacegroup": 225
},
{
"id": "mp-1216621",
"created_at": "2022-09-04T14:43:13.190981Z",
"structure_string": "Ti1 W1\n1.0\n1.589892 -2.291387 0.000000\n1.589892 2.291387 0.000000\n0.000000 0.000000 4.454217\nTi W\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"W"
],
"chemical_system": "Ti-W",
"density": 11.855525692968548,
"density_atomic": 0.06162579855725202,
"volume": 32.45394050580856,
"volume_molar": 9.772109897132237,
"formula_full": "Ti1 W1",
"formula_reduced": "TiW",
"formula_anonymous": "AB",
"energy": -20.89370429,
"energy_per_atom": -10.446852145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.89370429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0404653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.843000Z",
"spacegroup": 65
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-11572",
"created_at": "2022-09-04T14:39:48.586745Z",
"structure_string": "Ta1 Tc1\n1.0\n3.190821 0.000000 0.000000\n0.000000 3.190821 0.000000\n0.000000 0.000000 3.190821\nTa Tc\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Tc"
],
"chemical_system": "Ta-Tc",
"density": 14.258204444681578,
"density_atomic": 0.061563410469657034,
"volume": 32.48682918542576,
"volume_molar": 9.782012910035503,
"formula_full": "Ta1 Tc1",
"formula_reduced": "TaTc",
"formula_anonymous": "AB",
"energy": -23.21378663,
"energy_per_atom": -11.606893315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.21378663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.114000Z",
"spacegroup": 221
},
{
"id": "mp-1912",
"created_at": "2022-09-04T14:48:14.072596Z",
"structure_string": "Zn1 Ag1\n1.0\n3.191211 0.000000 0.000000\n0.000000 3.191211 0.000000\n0.000000 0.000000 3.191211\nZn Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ag"
],
"chemical_system": "Ag-Zn",
"density": 8.853682791786275,
"density_atomic": 0.06154084211304468,
"volume": 32.49874280768193,
"volume_molar": 9.785600185544908,
"formula_full": "Zn1 Ag1",
"formula_reduced": "ZnAg",
"formula_anonymous": "AB",
"energy": -4.19151912,
"energy_per_atom": -2.09575956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.19151912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.726000Z",
"spacegroup": 221
},
{
"id": "mp-12120",
"created_at": "2022-09-04T14:47:14.288675Z",
"structure_string": "Fe2 N2\n1.0\n1.369195 -2.371516 0.000000\n1.369195 2.371516 0.000000\n0.000000 0.000000 5.004323\nFe N\n2 2\ndirect\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.750000 N\n0.333333 0.666667 0.250000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"N"
],
"chemical_system": "Fe-N",
"density": 7.138210994500016,
"density_atomic": 0.1230816469701215,
"volume": 32.49875264482782,
"volume_molar": 4.892801573789385,
"formula_full": "Fe2 N2",
"formula_reduced": "FeN",
"formula_anonymous": "AB",
"energy": -34.11345162,
"energy_per_atom": -8.528362905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.39145162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.378253,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.864000Z",
"spacegroup": 194
},
{
"id": "mp-1147646",
"created_at": "2022-09-04T14:44:27.867223Z",
"structure_string": "Li1 Cu1 N1\n1.0\n2.873357 0.000000 0.000000\n0.000000 2.873357 0.000000\n0.000000 0.000000 3.936540\nLi Cu N\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Cu",
"N"
],
"chemical_system": "Cu-Li-N",
"density": 4.316975467416007,
"density_atomic": 0.09230546395020037,
"volume": 32.50078458647396,
"volume_molar": 6.52414331967282,
"formula_full": "Li1 Cu1 N1",
"formula_reduced": "LiCuN",
"formula_anonymous": "ABC",
"energy": -14.23662098,
"energy_per_atom": -4.745540326666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.87562098,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.458000Z",
"spacegroup": 123
},
{
"id": "mp-2426",
"created_at": "2022-09-04T14:48:27.365754Z",
"structure_string": "Li1 Ag1\n1.0\n3.192020 0.000000 0.000000\n0.000000 3.192020 0.000000\n0.000000 0.000000 3.192020\nLi Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Ag"
],
"chemical_system": "Ag-Li",
"density": 5.861772738359447,
"density_atomic": 0.06149406240219479,
"volume": 32.52346522367041,
"volume_molar": 9.793044278995405,
"formula_full": "Li1 Ag1",
"formula_reduced": "LiAg",
"formula_anonymous": "AB",
"energy": -5.18500479,
"energy_per_atom": -2.592502395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.18500479,
"band_gap": 0.2724000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:40.808000Z",
"spacegroup": 221
},
{
"id": "mp-8222",
"created_at": "2022-09-04T14:42:28.024617Z",
"structure_string": "Ag1 O1\n1.0\n0.000000 2.533520 2.533520\n2.533520 0.000000 2.533520\n2.533520 2.533520 0.000000\nAg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.3241740485333695,
"density_atomic": 0.061493185181869046,
"volume": 32.52392918150042,
"volume_molar": 9.793183979963358,
"formula_full": "Ag1 O1",
"formula_reduced": "AgO",
"formula_anonymous": "AB",
"energy": -8.05769493,
"energy_per_atom": -4.028847465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.37069493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2354905,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.033000Z",
"spacegroup": 216
}
]
}