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=12129",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=12127",
"results": [
{
"id": "mp-1097481",
"created_at": "2022-09-04T14:44:07.387190Z",
"structure_string": "La1 Sb1 Au2\n1.0\n-5.399039 6.249596 8.824341\n5.399039 -6.249596 8.824341\n5.399039 6.249596 -8.824341\nLa Sb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.249505 0.249505 Au\n0.000000 0.750495 0.750495 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sb",
"Au"
],
"chemical_system": "Au-La-Sb",
"density": 0.9126694070309315,
"density_atomic": 0.0033585305994939603,
"volume": 1190.9970391821626,
"volume_molar": 179.30879536745545,
"formula_full": "La1 Sb1 Au2",
"formula_reduced": "LaSbAu2",
"formula_anonymous": "ABC2",
"energy": -11.61807805,
"energy_per_atom": -2.9045195125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.42607805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2186704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.230000Z",
"spacegroup": 71
},
{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Sc",
"density": 0.5256855578178379,
"density_atomic": 0.0033531418173553492,
"volume": 1192.91107202702,
"volume_molar": 179.59695974773035,
"formula_full": "Sc1 Cd2 Ag1",
"formula_reduced": "ScCd2Ag",
"formula_anonymous": "ABC2",
"energy": -5.44203659,
"energy_per_atom": -1.3605091475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.44203659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.394000Z",
"spacegroup": 71
},
{
"id": "mp-1096014",
"created_at": "2022-09-04T14:40:04.803117Z",
"structure_string": "Y2 Hg1 Ru1\n1.0\n-5.728006 6.143738 8.475266\n5.728006 -6.143738 8.475266\n5.728006 6.143738 -8.475266\nY Hg Ru\n2 1 1\ndirect\n0.000000 0.204025 0.204025 Y\n0.000000 0.795975 0.795975 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hg",
"Ru"
],
"chemical_system": "Hg-Ru-Y",
"density": 0.6673637243433233,
"density_atomic": 0.003352822106082338,
"volume": 1193.0248231015955,
"volume_molar": 179.6140853722977,
"formula_full": "Y2 Hg1 Ru1",
"formula_reduced": "Y2HgRu",
"formula_anonymous": "ABC2",
"energy": -14.92328104,
"energy_per_atom": -3.73082026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.92328104,
"band_gap": 0.1913,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.777000Z",
"spacegroup": 71
},
{
"id": "mp-1210439",
"created_at": "2022-09-04T14:48:24.084190Z",
"structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 0.45217972026178166,
"density_atomic": 0.0033518017429680436,
"volume": 4176.858022516243,
"volume_molar": 179.66876390091474,
"formula_full": "Sm2 Ga12",
"formula_reduced": "SmGa6",
"formula_anonymous": "AB6",
"energy": -26.18422238,
"energy_per_atom": -1.8703015985714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.18422238,
"band_gap": 0.1123000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.1774394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.709000Z",
"spacegroup": 123
},
{
"id": "mp-1097606",
"created_at": "2022-09-04T14:45:09.060617Z",
"structure_string": "Zr2 In1 Ag1\n1.0\n-5.801993 6.015496 8.549645\n5.801993 -6.015496 8.549645\n5.801993 6.015496 -8.549645\nZr In Ag\n2 1 1\ndirect\n0.000000 0.247923 0.247923 Zr\n0.000000 0.752077 0.752077 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ag"
],
"chemical_system": "Ag-In-Zr",
"density": 0.5636263485048583,
"density_atomic": 0.0033512225903555392,
"volume": 1193.594245727387,
"volume_molar": 179.69981395240885,
"formula_full": "Zr2 In1 Ag1",
"formula_reduced": "Zr2InAg",
"formula_anonymous": "ABC2",
"energy": -11.44099455,
"energy_per_atom": -2.8602486375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.44099455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3102691,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.820000Z",
"spacegroup": 71
},
{
"id": "mp-1093982",
"created_at": "2022-09-04T14:42:15.431099Z",
"structure_string": "Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Ti",
"density": 0.5190632484374981,
"density_atomic": 0.003351081369983435,
"volume": 1193.6445458558867,
"volume_molar": 179.70738681376062,
"formula_full": "Ti1 Cd1 Pd2",
"formula_reduced": "TiCdPd2",
"formula_anonymous": "ABC2",
"energy": -13.19371494,
"energy_per_atom": -3.298428735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.19371494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9278061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.106000Z",
"spacegroup": 71
},
{
"id": "mp-1210637",
"created_at": "2022-09-04T14:46:09.847615Z",
"structure_string": "Th4 B8 Os8\n1.0\n0.000000 0.000000 12.054459\n22.261321 0.000000 0.000000\n-0.000000 22.261321 0.000000\nTh B Os\n4 8 8\ndirect\n0.250000 0.250000 0.250000 Th\n0.250000 0.750000 0.750000 Th\n0.750000 0.250000 0.750000 Th\n0.750000 0.750000 0.250000 Th\n0.126345 0.035635 0.601010 B\n0.126345 0.964365 0.398990 B\n0.626345 0.898990 0.535635 B\n0.373655 0.464365 0.898990 B\n0.626345 0.101010 0.464365 B\n0.373655 0.535635 0.101010 B\n0.873655 0.601010 0.964365 B\n0.873655 0.398990 0.035635 B\n0.363673 0.615350 0.106246 Os\n0.363673 0.384650 0.893754 Os\n0.863673 0.393754 0.115350 Os\n0.136327 0.884650 0.393754 Os\n0.863673 0.606246 0.884650 Os\n0.136327 0.115350 0.606246 Os\n0.636327 0.106246 0.384650 Os\n0.636327 0.893754 0.615350 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"B",
"Os"
],
"chemical_system": "B-Os-Th",
"density": 0.7050679808344311,
"density_atomic": 0.0033479611316989876,
"volume": 5973.785003247816,
"volume_molar": 179.87487079767703,
"formula_full": "Th4 B8 Os8",
"formula_reduced": "Th(BOs)2",
"formula_anonymous": "AB2C2",
"energy": -74.91008751,
"energy_per_atom": -3.7455043755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.91008751,
"band_gap": 0.0661999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.873000Z",
"spacegroup": 86
},
{
"id": "mp-1096132",
"created_at": "2022-09-04T14:41:51.999424Z",
"structure_string": "Y2 Hg1 Pd1\n1.0\n-5.518790 6.188375 8.749864\n5.518790 -6.188375 8.749864\n5.518790 6.188375 -8.749864\nY Hg Pd\n2 1 1\ndirect\n0.000000 0.235284 0.235284 Y\n0.000000 0.764716 0.764716 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Y",
"density": 0.6735182401540568,
"density_atomic": 0.0033464027274661087,
"volume": 1195.313393444666,
"volume_molar": 179.95863769092603,
"formula_full": "Y2 Hg1 Pd1",
"formula_reduced": "Y2HgPd",
"formula_anonymous": "ABC2",
"energy": -11.61904743,
"energy_per_atom": -2.9047618575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61904743,
"band_gap": 0.0319000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.313000Z",
"spacegroup": 71
},
{
"id": "mp-1095985",
"created_at": "2022-09-04T14:45:37.770143Z",
"structure_string": "Mg1 Ti1 Au2\n1.0\n-5.224159 6.641498 8.614224\n5.224159 -6.641498 8.614224\n5.224159 6.641498 -8.614224\nMg Ti Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.250790 0.250790 Au\n0.000000 0.749210 0.749210 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Au"
],
"chemical_system": "Au-Mg-Ti",
"density": 0.6474025460716709,
"density_atomic": 0.00334581101500178,
"volume": 1195.5247866855002,
"volume_molar": 179.9904636872264,
"formula_full": "Mg1 Ti1 Au2",
"formula_reduced": "MgTiAu2",
"formula_anonymous": "ABC2",
"energy": -10.08346181,
"energy_per_atom": -2.5208654525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.08346181,
"band_gap": 0.2702,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0008793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.107000Z",
"spacegroup": 71
},
{
"id": "mp-1096545",
"created_at": "2022-09-04T14:44:31.210892Z",
"structure_string": "Li1 Mg2 Cd1\n1.0\n-5.931944 6.008799 8.387754\n5.931944 -6.008799 8.387754\n5.931944 6.008799 -8.387754\nLi Mg Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.751290 0.000000 0.751290 Mg\n0.248710 0.000000 0.248710 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 0.2332221204008171,
"density_atomic": 0.0033447956987526996,
"volume": 1195.8876894907605,
"volume_molar": 180.0450999816133,
"formula_full": "Li1 Mg2 Cd1",
"formula_reduced": "LiMg2Cd",
"formula_anonymous": "ABC2",
"energy": -2.15953473,
"energy_per_atom": -0.5398836825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.15953473,
"band_gap": 0.0643,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0036256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.214000Z",
"spacegroup": 71
},
{
"id": "mp-1097116",
"created_at": "2022-09-04T14:45:21.379872Z",
"structure_string": "Ca2 Zn1 Pd1\n1.0\n-5.791362 6.046307 8.538105\n5.791362 -6.046307 8.538105\n5.791362 6.046307 -8.538105\nCa Zn Pd\n2 1 1\ndirect\n0.000000 0.275624 0.275624 Ca\n0.000000 0.724376 0.724376 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Pd"
],
"chemical_system": "Ca-Pd-Zn",
"density": 0.34988989266879383,
"density_atomic": 0.0033447803399106017,
"volume": 1195.8931808678685,
"volume_molar": 180.0459267277611,
"formula_full": "Ca2 Zn1 Pd1",
"formula_reduced": "Ca2ZnPd",
"formula_anonymous": "ABC2",
"energy": -6.19793292,
"energy_per_atom": -1.54948323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.19793292,
"band_gap": 0.0995999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.145000Z",
"spacegroup": 71
},
{
"id": "mp-1096338",
"created_at": "2022-09-04T14:48:26.039636Z",
"structure_string": "Na1 Li1 Hg2\n1.0\n-5.910205 5.980608 8.459492\n5.910205 -5.980608 8.459492\n5.910205 5.980608 -8.459492\nNa Li Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.233214 0.233214 Hg\n0.000000 0.766786 0.766786 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Li",
"Hg"
],
"chemical_system": "Hg-Li-Na",
"density": 0.5985298458138731,
"density_atomic": 0.0033443200575273323,
"volume": 1196.0577729385905,
"volume_molar": 180.07070664320776,
"formula_full": "Na1 Li1 Hg2",
"formula_reduced": "NaLiHg2",
"formula_anonymous": "ABC2",
"energy": -2.08205359,
"energy_per_atom": -0.5205133975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.08205359,
"band_gap": 0.1269999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001304,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:13.688000Z",
"spacegroup": 71
}
]
}