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=79",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=77",
"results": [
{
"id": "mp-1097406",
"created_at": "2022-09-04T14:43:22.739410Z",
"structure_string": "Sc2 Cd1 Pt1\n1.0\n-5.451780 6.132610 8.354619\n5.451780 -6.132610 8.354619\n5.451780 6.132610 -8.354619\nSc Cd Pt\n2 1 1\ndirect\n0.000000 0.283896 0.283896 Sc\n0.000000 0.716104 0.716104 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Sc",
"density": 0.5906281038201483,
"density_atomic": 0.003580054860100738,
"volume": 1117.301314172444,
"volume_molar": 168.21364463198603,
"formula_full": "Sc2 Cd1 Pt1",
"formula_reduced": "Sc2CdPt",
"formula_anonymous": "ABC2",
"energy": -13.12318263,
"energy_per_atom": -3.2807956575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.12318263,
"band_gap": 0.0765000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.939000Z",
"spacegroup": 71
},
{
"id": "mp-1097591",
"created_at": "2022-09-04T14:43:17.155919Z",
"structure_string": "Mg2 In1 Ag1\n1.0\n-5.547087 5.964026 8.437897\n5.547087 -5.964026 8.437897\n5.547087 5.964026 -8.437897\nMg In Ag\n2 1 1\ndirect\n0.000000 0.237919 0.237919 Mg\n0.000000 0.762081 0.762081 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"In",
"Ag"
],
"chemical_system": "Ag-In-Mg",
"density": 0.4034540614051749,
"density_atomic": 0.00358229440562055,
"volume": 1116.602810121937,
"volume_molar": 168.10848238914642,
"formula_full": "Mg2 In1 Ag1",
"formula_reduced": "Mg2InAg",
"formula_anonymous": "ABC2",
"energy": -4.29273541,
"energy_per_atom": -1.0731838525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.29273541,
"band_gap": 0.0488999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.083000Z",
"spacegroup": 71
},
{
"id": "mp-1095993",
"created_at": "2022-09-04T14:48:20.980489Z",
"structure_string": "Zr1 In1 Ag2\n1.0\n-5.693530 5.886436 8.323940\n5.693530 -5.886436 8.323940\n5.693530 5.886436 -8.323940\nZr In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.250538 0.250538 Ag\n0.000000 0.749462 0.749461 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ag"
],
"chemical_system": "Ag-In-Zr",
"density": 0.627639778049726,
"density_atomic": 0.00358456961408816,
"volume": 1115.8940767335375,
"volume_molar": 168.00178008349013,
"formula_full": "Zr1 In1 Ag2",
"formula_reduced": "ZrInAg2",
"formula_anonymous": "ABC2",
"energy": -8.90366832,
"energy_per_atom": -2.22591708,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.90366832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8755774,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.720000Z",
"spacegroup": 71
},
{
"id": "mp-1095854",
"created_at": "2022-09-04T14:45:36.516547Z",
"structure_string": "Mg1 Zr1 Ag2\n1.0\n-5.537200 5.832304 8.638114\n5.537200 -5.832304 8.638114\n5.537200 5.832304 -8.638114\nMg Zr Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.242896 0.242896 Ag\n0.000000 0.757104 0.757104 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Ag"
],
"chemical_system": "Ag-Mg-Zr",
"density": 0.492964776330895,
"density_atomic": 0.0035846825823795505,
"volume": 1115.8589102594287,
"volume_molar": 167.99648564706217,
"formula_full": "Mg1 Zr1 Ag2",
"formula_reduced": "MgZrAg2",
"formula_anonymous": "ABC2",
"energy": -7.89644054,
"energy_per_atom": -1.974110135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.89644054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2636725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.895000Z",
"spacegroup": 71
},
{
"id": "mp-1096687",
"created_at": "2022-09-04T14:41:09.470271Z",
"structure_string": "Na1 Pb1 Au2\n1.0\n-5.593752 5.938626 8.392785\n5.593752 -5.938626 8.392785\n5.593752 5.938626 -8.392785\nNa Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Pb\n0.000000 0.253609 0.253609 Au\n0.000000 0.746391 0.746391 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Pb",
"Au"
],
"chemical_system": "Au-Na-Pb",
"density": 0.9293171414490347,
"density_atomic": 0.0035867798301530344,
"volume": 1115.2064496329385,
"volume_molar": 167.89825540373516,
"formula_full": "Na1 Pb1 Au2",
"formula_reduced": "NaPbAu2",
"formula_anonymous": "ABC2",
"energy": -8.14961903,
"energy_per_atom": -2.0374047575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.14961903,
"band_gap": 0.0664000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999892,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.974000Z",
"spacegroup": 71
},
{
"id": "mp-1097546",
"created_at": "2022-09-04T14:48:20.888395Z",
"structure_string": "Y2 Mg1 Os1\n1.0\n-5.869270 6.165241 7.704236\n5.869270 -6.165241 7.704236\n5.869270 6.165241 -7.704236\nY Mg Os\n2 1 1\ndirect\n0.000000 0.295004 0.295004 Y\n0.000000 0.704996 0.704996 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Os"
],
"chemical_system": "Mg-Os-Y",
"density": 0.5842455134335576,
"density_atomic": 0.0035870404634587134,
"volume": 1115.1254190601187,
"volume_molar": 167.88605596585055,
"formula_full": "Y2 Mg1 Os1",
"formula_reduced": "Y2MgOs",
"formula_anonymous": "ABC2",
"energy": -15.76985745,
"energy_per_atom": -3.9424643625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.76985745,
"band_gap": 0.1309,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:31.003000Z",
"spacegroup": 71
},
{
"id": "mp-1097498",
"created_at": "2022-09-04T14:44:19.086722Z",
"structure_string": "Mg2 Cd1 Sn1\n1.0\n-5.594506 5.934926 8.393771\n5.594506 -5.934926 8.393771\n5.594506 5.934926 -8.393771\nMg Cd Sn\n2 1 1\ndirect\n0.000000 0.252302 0.252302 Mg\n0.000000 0.747698 0.747698 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Sn"
],
"chemical_system": "Cd-Mg-Sn",
"density": 0.4166731685643693,
"density_atomic": 0.0035881106818722087,
"volume": 1114.7928128886133,
"volume_molar": 167.8359809362893,
"formula_full": "Mg2 Cd1 Sn1",
"formula_reduced": "Mg2CdSn",
"formula_anonymous": "ABC2",
"energy": -3.82948628,
"energy_per_atom": -0.95737157,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82948628,
"band_gap": 0.4556,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9999902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.783000Z",
"spacegroup": 71
},
{
"id": "mp-1096629",
"created_at": "2022-09-04T14:40:36.193570Z",
"structure_string": "Li2 Tl1 Hg1\n1.0\n-5.674047 5.884363 8.338265\n5.674047 -5.884363 8.338265\n5.674047 5.884363 -8.338265\nLi Tl Hg\n2 1 1\ndirect\n0.000000 0.249256 0.249256 Li\n0.000000 0.750744 0.750744 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"Hg"
],
"chemical_system": "Hg-Li-Tl",
"density": 0.624575641904044,
"density_atomic": 0.0035919635560188222,
"volume": 1113.597044518299,
"volume_molar": 167.65595380022958,
"formula_full": "Li2 Tl1 Hg1",
"formula_reduced": "Li2TlHg",
"formula_anonymous": "ABC2",
"energy": -3.57433,
"energy_per_atom": -0.8935825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.57433,
"band_gap": 0.0882,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0008642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.868000Z",
"spacegroup": 71
},
{
"id": "mp-1097289",
"created_at": "2022-09-04T14:42:53.069762Z",
"structure_string": "Hf2 Mg1 Re1\n1.0\n-5.545386 5.960210 8.422366\n5.545386 -5.960210 8.422366\n5.545386 5.960210 -8.422366\nHf Mg Re\n2 1 1\ndirect\n0.000000 0.294798 0.294798 Hf\n0.000000 0.705202 0.705202 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Re"
],
"chemical_system": "Hf-Mg-Re",
"density": 0.8462942618420547,
"density_atomic": 0.0035922995714155574,
"volume": 1113.4928812253224,
"volume_molar": 167.64027164992135,
"formula_full": "Hf2 Mg1 Re1",
"formula_reduced": "Hf2MgRe",
"formula_anonymous": "ABC2",
"energy": -19.5057393,
"energy_per_atom": -4.876434825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.5057393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.284000Z",
"spacegroup": 71
},
{
"id": "mp-1097652",
"created_at": "2022-09-04T14:40:11.359889Z",
"structure_string": "Mg1 Sc1 Cu2\n1.0\n-5.304264 6.084300 8.616609\n5.304264 -6.084300 8.616609\n5.304264 6.084300 -8.616609\nMg Sc Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.256473 0.256473 Cu\n0.000000 0.743527 0.743527 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Cu"
],
"chemical_system": "Cu-Mg-Sc",
"density": 0.293125982189967,
"density_atomic": 0.0035960677288478728,
"volume": 1112.3261021787098,
"volume_molar": 167.46460895855836,
"formula_full": "Mg1 Sc1 Cu2",
"formula_reduced": "MgScCu2",
"formula_anonymous": "ABC2",
"energy": -8.66387174,
"energy_per_atom": -2.165967935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.66387174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1217607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.637000Z",
"spacegroup": 71
},
{
"id": "mp-1181264",
"created_at": "2022-09-04T14:43:16.774732Z",
"structure_string": "Ge1 Te1\n1.0\n6.691573 7.305897 0.000000\n-6.691573 7.305897 0.000000\n0.000000 1.751909 5.685961\nGe Te\n1 1\ndirect\n0.006316 0.006316 0.972151 Ge\n0.951684 0.951684 0.632849 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 0.5980869089185615,
"density_atomic": 0.00359744661752454,
"volume": 555.9498757416536,
"volume_molar": 167.40042036103736,
"formula_full": "Ge1 Te1",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy": -6.759738329999999,
"energy_per_atom": -3.3798691649999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.33773833,
"band_gap": 2.1769,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.811000Z",
"spacegroup": 8
},
{
"id": "mp-1096145",
"created_at": "2022-09-04T14:45:15.652754Z",
"structure_string": "Y2 Zn1 Tc1\n1.0\n-5.534627 5.980866 8.395310\n5.534627 -5.980866 8.395310\n5.534627 5.980866 -8.395310\nY Zn Tc\n2 1 1\ndirect\n0.000000 0.291154 0.291154 Y\n0.000000 0.708846 0.708846 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Tc"
],
"chemical_system": "Tc-Y-Zn",
"density": 0.5097242655702863,
"density_atomic": 0.0035984115583992233,
"volume": 1111.60158727909,
"volume_molar": 167.35553069085265,
"formula_full": "Y2 Zn1 Tc1",
"formula_reduced": "Y2ZnTc",
"formula_anonymous": "ABC2",
"energy": -15.01310708,
"energy_per_atom": -3.75327677,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.01310708,
"band_gap": 0.0504999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.709000Z",
"spacegroup": 71
}
]
}