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=density&page=48",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=46",
"results": [
{
"id": "mp-1093610",
"created_at": "2022-09-04T14:40:14.404628Z",
"structure_string": "Li1 Y2 Tl1\n1.0\n-6.422667 6.544860 9.254171\n6.422667 -6.544860 9.254171\n6.422667 6.544860 -9.254171\nLi Y Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.264595 0.264595 Y\n0.000000 0.735405 0.735405 Y\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Tl"
],
"chemical_system": "Li-Tl-Y",
"density": 0.41527637971128906,
"density_atomic": 0.002570672272715793,
"volume": 1556.0132041935435,
"volume_molar": 234.26326350180355,
"formula_full": "Li1 Y2 Tl1",
"formula_reduced": "LiY2Tl",
"formula_anonymous": "ABC2",
"energy": -8.77764464,
"energy_per_atom": -2.19441116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.77764464,
"band_gap": 0.0592000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.426000Z",
"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-1096752",
"created_at": "2022-09-04T14:42:06.225123Z",
"structure_string": "Li1 Y2 Pd1\n1.0\n-5.803847 5.950299 8.399333\n5.803847 -5.950299 8.399333\n5.803847 5.950299 -8.399333\nLi Y Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.286217 0.286217 Y\n0.000000 0.713783 0.713783 Y\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Pd"
],
"chemical_system": "Li-Pd-Y",
"density": 0.41671603828105785,
"density_atomic": 0.0034474696842737196,
"volume": 1160.2712616290003,
"volume_molar": 174.68292143281568,
"formula_full": "Li1 Y2 Pd1",
"formula_reduced": "LiY2Pd",
"formula_anonymous": "ABC2",
"energy": -12.51780887,
"energy_per_atom": -3.1294522175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.51780887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1426057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.475000Z",
"spacegroup": 71
},
{
"id": "mp-1097385",
"created_at": "2022-09-04T14:45:34.925594Z",
"structure_string": "Li2 Cu1 Pd1\n1.0\n-4.878084 5.159699 7.267841\n4.878084 -5.159699 7.267841\n4.878084 5.159699 -7.267841\nLi Cu Pd\n2 1 1\ndirect\n0.000000 0.250838 0.250838 Li\n0.000000 0.749162 0.749162 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"Pd"
],
"chemical_system": "Cu-Li-Pd",
"density": 0.41722368708015645,
"density_atomic": 0.005466645865870043,
"volume": 731.7101012475006,
"volume_molar": 110.16153063065751,
"formula_full": "Li2 Cu1 Pd1",
"formula_reduced": "Li2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.02894399,
"energy_per_atom": -2.0072359975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.02894399,
"band_gap": 0.4872999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000245,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.982000Z",
"spacegroup": 71
},
{
"id": "mp-1097326",
"created_at": "2022-09-04T14:40:04.980675Z",
"structure_string": "Mg1 Sc1 In2\n1.0\n-5.750991 6.057484 8.526908\n5.750991 -6.057484 8.526908\n5.750991 6.057484 -8.526908\nMg Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sc\n0.000000 0.249159 0.249159 In\n0.000000 0.750841 0.750841 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"In"
],
"chemical_system": "In-Mg-Sc",
"density": 0.4177187728491467,
"density_atomic": 0.0033664600041921505,
"volume": 1188.191748905058,
"volume_molar": 178.88644904442089,
"formula_full": "Mg1 Sc1 In2",
"formula_reduced": "MgScIn2",
"formula_anonymous": "ABC2",
"energy": -7.08295862,
"energy_per_atom": -1.770739655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.08295862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4734262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.285000Z",
"spacegroup": 71
},
{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Ga"
],
"chemical_system": "Ga-Sr-Tl",
"density": 0.41792180171955423,
"density_atomic": 0.002240395808308836,
"volume": 1785.398805499195,
"volume_molar": 268.7980729863004,
"formula_full": "Sr2 Tl1 Ga1",
"formula_reduced": "Sr2TlGa",
"formula_anonymous": "ABC2",
"energy": -3.85411723,
"energy_per_atom": -0.9635293075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.85411723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9808662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
},
{
"id": "mp-1206696",
"created_at": "2022-09-04T14:39:15.277983Z",
"structure_string": "Er2 Ag1 Sb3\n1.0\n8.998827 0.000000 0.000000\n0.000000 8.998827 0.000000\n0.000000 0.000000 39.588004\nEr Ag Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243001 Er\n0.500000 0.500000 0.756999 Er\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.691011 Sb\n0.500000 0.500000 0.308989 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Ag",
"Sb"
],
"chemical_system": "Ag-Er-Sb",
"density": 0.418355608047713,
"density_atomic": 0.0018716120795467478,
"volume": 3205.792517353827,
"volume_molar": 321.7622297809915,
"formula_full": "Er2 Ag1 Sb3",
"formula_reduced": "Er2AgSb3",
"formula_anonymous": "AB2C3",
"energy": -11.07040569,
"energy_per_atom": -1.8450676149999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.49440569,
"band_gap": 0.1128999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8624452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.620000Z",
"spacegroup": 123
},
{
"id": "mp-1095818",
"created_at": "2022-09-04T14:41:59.710997Z",
"structure_string": "Y1 Sc1 Pd2\n1.0\n-5.048601 6.859791 9.932683\n5.048601 -6.859791 9.932683\n5.048601 6.859791 -9.932683\nY Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.248129 0.248129 Pd\n0.000000 0.751871 0.751871 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Pd"
],
"chemical_system": "Pd-Sc-Y",
"density": 0.4184047888889833,
"density_atomic": 0.0029070432404878213,
"volume": 1375.9685250945126,
"volume_molar": 207.1569034862187,
"formula_full": "Y1 Sc1 Pd2",
"formula_reduced": "YScPd2",
"formula_anonymous": "ABC2",
"energy": -16.83266696,
"energy_per_atom": -4.20816674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.83266696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5814964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.852000Z",
"spacegroup": 71
},
{
"id": "mp-1097203",
"created_at": "2022-09-04T14:45:38.838273Z",
"structure_string": "Y2 Al1 Cu1\n1.0\n-5.718200 5.746012 8.092090\n5.718200 -5.746012 8.092090\n5.718200 5.746012 -8.092090\nY Al Cu\n2 1 1\ndirect\n0.254619 0.000000 0.254619 Y\n0.745381 0.000000 0.745381 Y\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Y",
"density": 0.4189736546798966,
"density_atomic": 0.0037610874015290676,
"volume": 1063.522213914466,
"volume_molar": 160.1170118394936,
"formula_full": "Y2 Al1 Cu1",
"formula_reduced": "Y2AlCu",
"formula_anonymous": "ABC2",
"energy": -11.25694896,
"energy_per_atom": -2.81423724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.25694896,
"band_gap": 0.1400000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.065000Z",
"spacegroup": 71
},
{
"id": "mp-1097617",
"created_at": "2022-09-04T14:47:11.708874Z",
"structure_string": "Li1 Sc2 Hg1\n1.0\n-5.938288 5.952864 8.331626\n5.938288 -5.952864 8.331626\n5.938288 5.952864 -8.331626\nLi Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257527 0.257527 Sc\n0.000000 0.742473 0.742473 Sc\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Hg"
],
"chemical_system": "Hg-Li-Sc",
"density": 0.41925245855914656,
"density_atomic": 0.003395338016682848,
"volume": 1178.085946184495,
"volume_molar": 177.36498488252033,
"formula_full": "Li1 Sc2 Hg1",
"formula_reduced": "LiSc2Hg",
"formula_anonymous": "ABC2",
"energy": -7.14428456,
"energy_per_atom": -1.78607114,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.14428456,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0003207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.293000Z",
"spacegroup": 71
},
{
"id": "mp-1096107",
"created_at": "2022-09-04T14:41:12.900231Z",
"structure_string": "Li1 Mg1 Sn2\n1.0\n-5.522360 5.817565 8.280165\n5.522360 -5.817565 8.280165\n5.522360 5.817565 -8.280165\nLi Mg Sn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.248571 0.248571 Sn\n0.000000 0.751429 0.751429 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sn"
],
"chemical_system": "Li-Mg-Sn",
"density": 0.4192729704849251,
"density_atomic": 0.003759196691797404,
"volume": 1064.0571185668553,
"volume_molar": 160.1975436172403,
"formula_full": "Li1 Mg1 Sn2",
"formula_reduced": "LiMgSn2",
"formula_anonymous": "ABC2",
"energy": -6.83786388,
"energy_per_atom": -1.70946597,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.83786388,
"band_gap": 0.4925000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0011559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.868000Z",
"spacegroup": 71
},
{
"id": "mp-1095768",
"created_at": "2022-09-04T14:45:53.239139Z",
"structure_string": "Y2 Zn1 Cd1\n1.0\n-6.192127 6.335485 8.967926\n6.192127 -6.335485 8.967926\n6.192127 6.335485 -8.967926\nY Zn Cd\n2 1 1\ndirect\n0.000000 0.242563 0.242563 Y\n0.000000 0.757437 0.757437 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Cd"
],
"chemical_system": "Cd-Y-Zn",
"density": 0.41964092325499497,
"density_atomic": 0.0028424200760182646,
"volume": 1407.251529690609,
"volume_molar": 211.86666991305418,
"formula_full": "Y2 Zn1 Cd1",
"formula_reduced": "Y2ZnCd",
"formula_anonymous": "ABC2",
"energy": -6.78189375,
"energy_per_atom": -1.6954734375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.78189375,
"band_gap": 0.0270999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.128000Z",
"spacegroup": 71
}
]
}