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=-id&page=108",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=106",
"results": [
{
"id": "mp-982040",
"created_at": "2022-09-04T14:43:35.042623Z",
"structure_string": "K1 Bi1 O3\n1.0\n4.284204 0.000000 0.000000\n0.000000 4.284204 0.000000\n0.000000 0.000000 4.284204\nK Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Bi",
"O"
],
"chemical_system": "Bi-K-O",
"density": 6.252348761231978,
"density_atomic": 0.06358571765268162,
"volume": 78.63401066432932,
"volume_molar": 9.470901614878647,
"formula_full": "K1 Bi1 O3",
"formula_reduced": "KBiO3",
"formula_anonymous": "ABC3",
"energy": -27.26386901,
"energy_per_atom": -5.452773802,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.20286901,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.551000Z",
"spacegroup": 221
},
{
"id": "mp-982018",
"created_at": "2022-09-04T14:42:18.985258Z",
"structure_string": "Ho3 Sb1\n1.0\n-2.307614 2.307614 5.207702\n2.307614 -2.307614 5.207702\n2.307614 2.307614 -5.207702\nHo Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ho\n0.250000 0.750000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 9.229658441952205,
"density_atomic": 0.03606015134474304,
"volume": 110.92576849606408,
"volume_molar": 16.700264794861788,
"formula_full": "Ho3 Sb1",
"formula_reduced": "Ho3Sb",
"formula_anonymous": "AB3",
"energy": -19.90442864,
"energy_per_atom": -4.97610716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.71242864,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.251000Z",
"spacegroup": 139
},
{
"id": "mp-982017",
"created_at": "2022-09-04T14:39:25.885077Z",
"structure_string": "Pr1 Y1 Tl2\n1.0\n0.000000 3.871684 3.871684\n3.871684 0.000000 3.871684\n3.871684 3.871684 0.000000\nPr Y Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Y",
"Tl"
],
"chemical_system": "Pr-Tl-Y",
"density": 9.135551519575813,
"density_atomic": 0.03446119112708314,
"volume": 116.07259845572749,
"volume_molar": 17.47513815698374,
"formula_full": "Pr1 Y1 Tl2",
"formula_reduced": "PrYTl2",
"formula_anonymous": "ABC2",
"energy": -17.52650259,
"energy_per_atom": -4.3816256475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.52650259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1577327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.551000Z",
"spacegroup": 225
},
{
"id": "mp-982016",
"created_at": "2022-09-04T14:44:50.066801Z",
"structure_string": "Tm6 Ga2\n1.0\n3.338105 -5.781767 0.000000\n3.338105 5.781767 0.000000\n0.000000 0.000000 5.223806\nTm Ga\n6 2\ndirect\n0.173522 0.347044 0.250000 Tm\n0.652956 0.826478 0.250000 Tm\n0.173522 0.826478 0.250000 Tm\n0.826478 0.652956 0.750000 Tm\n0.347044 0.173522 0.750000 Tm\n0.826478 0.173522 0.750000 Tm\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 9.495549396175473,
"density_atomic": 0.039674583124474874,
"volume": 201.64042996748907,
"volume_molar": 15.178838152139267,
"formula_full": "Tm6 Ga2",
"formula_reduced": "Tm3Ga",
"formula_anonymous": "AB3",
"energy": -34.82062379,
"energy_per_atom": -4.35257797375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.82062379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0449824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.647000Z",
"spacegroup": 194
},
{
"id": "mp-982015",
"created_at": "2022-09-04T14:42:08.339580Z",
"structure_string": "La1 Dy1 Mg2\n1.0\n0.000000 3.874312 3.874312\n3.874312 0.000000 3.874312\n3.874312 3.874312 0.000000\nLa Dy Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Dy",
"Mg"
],
"chemical_system": "Dy-La-Mg",
"density": 4.997152076957524,
"density_atomic": 0.03439111216080164,
"volume": 116.30912025459669,
"volume_molar": 17.51074734612371,
"formula_full": "La1 Dy1 Mg2",
"formula_reduced": "LaDyMg2",
"formula_anonymous": "ABC2",
"energy": -13.07547485,
"energy_per_atom": -3.2688687125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.07547485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0418714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.409000Z",
"spacegroup": 225
},
{
"id": "mp-982013",
"created_at": "2022-09-04T14:41:56.663476Z",
"structure_string": "Sr6 Tm2\n1.0\n4.024097 -6.969940 0.000000\n4.024097 6.969940 0.000000\n0.000000 0.000000 6.578367\nSr Tm\n6 2\ndirect\n0.171836 0.343672 0.250000 Sr\n0.656328 0.828164 0.250000 Sr\n0.171836 0.828164 0.250000 Sr\n0.828164 0.656328 0.750000 Sr\n0.343672 0.171836 0.750000 Sr\n0.828164 0.171836 0.750000 Sr\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Tm"
],
"chemical_system": "Sr-Tm",
"density": 3.886067438557359,
"density_atomic": 0.021679257927921223,
"volume": 369.016320881381,
"volume_molar": 27.77835283856254,
"formula_full": "Sr6 Tm2",
"formula_reduced": "Sr3Tm",
"formula_anonymous": "AB3",
"energy": -17.25579646,
"energy_per_atom": -2.1569745575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.25579646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.308786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.059000Z",
"spacegroup": 194
},
{
"id": "mp-982010",
"created_at": "2022-09-04T14:44:22.611375Z",
"structure_string": "Pr2 Cd1 Ag1\n1.0\n0.000000 3.842993 3.842993\n3.842993 0.000000 3.842993\n3.842993 3.842993 0.000000\nPr Cd Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Pr",
"density": 7.345067406161869,
"density_atomic": 0.035238808492728646,
"volume": 113.51121593187183,
"volume_molar": 17.08951300451217,
"formula_full": "Pr2 Cd1 Ag1",
"formula_reduced": "Pr2CdAg",
"formula_anonymous": "ABC2",
"energy": -14.41195848,
"energy_per_atom": -3.60298962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.41195848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5027545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.817000Z",
"spacegroup": 225
},
{
"id": "mp-982009",
"created_at": "2022-09-04T14:44:10.649514Z",
"structure_string": "Pr2 Cd1 Sn1\n1.0\n0.000000 3.884455 3.884455\n3.884455 0.000000 3.884455\n3.884455 3.884455 0.000000\nPr Cd Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Sn"
],
"chemical_system": "Cd-Pr-Sn",
"density": 7.265947449670388,
"density_atomic": 0.03412241115460101,
"volume": 117.22501032757899,
"volume_molar": 17.64863781962836,
"formula_full": "Pr2 Cd1 Sn1",
"formula_reduced": "Pr2CdSn",
"formula_anonymous": "ABC2",
"energy": -16.63333341,
"energy_per_atom": -4.1583333525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.63333341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.28e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.147000Z",
"spacegroup": 225
},
{
"id": "mp-982008",
"created_at": "2022-09-04T14:40:12.511964Z",
"structure_string": "Hg3 F1\n1.0\n-2.252410 2.252410 4.175722\n2.252410 -2.252410 4.175722\n2.252410 2.252410 -4.175722\nHg F\n3 1\ndirect\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"F"
],
"chemical_system": "F-Hg",
"density": 12.164443296127905,
"density_atomic": 0.04720342687804915,
"volume": 84.73961033240379,
"volume_molar": 12.757846534232149,
"formula_full": "Hg3 F1",
"formula_reduced": "Hg3F",
"formula_anonymous": "AB3",
"energy": -5.01985818,
"energy_per_atom": -1.254964545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55785818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.731000Z",
"spacegroup": 139
},
{
"id": "mp-982007",
"created_at": "2022-09-04T14:45:42.209545Z",
"structure_string": "Y1 Tm1 Cu2\n1.0\n0.000000 3.429741 3.429741\n3.429741 0.000000 3.429741\n3.429741 3.429741 0.000000\nY Tm Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tm\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Tm",
"Cu"
],
"chemical_system": "Cu-Tm-Y",
"density": 7.921714936894986,
"density_atomic": 0.049573093420238565,
"volume": 80.68893272589223,
"volume_molar": 12.148002766237337,
"formula_full": "Y1 Tm1 Cu2",
"formula_reduced": "YTmCu2",
"formula_anonymous": "ABC2",
"energy": -20.17555537,
"energy_per_atom": -5.0438888425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.17555537,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.003000Z",
"spacegroup": 225
},
{
"id": "mp-982005",
"created_at": "2022-09-04T14:42:45.916339Z",
"structure_string": "Th1 Mg16 Al12\n1.0\n5.305920 -7.595549 0.000000\n5.305920 7.595549 0.000000\n-5.567285 0.000000 7.406111\nTh Mg Al\n1 16 12\ndirect\n0.372642 0.372642 0.372642 Th\n0.653326 0.995919 0.995919 Mg\n0.718472 0.316344 0.316344 Mg\n0.278619 0.614026 0.614026 Mg\n0.994582 0.994582 0.994582 Mg\n0.001621 0.689109 0.393113 Mg\n0.393113 0.001621 0.689109 Mg\n0.614026 0.614026 0.278619 Mg\n0.995919 0.995919 0.653326 Mg\n0.689109 0.393113 0.001621 Mg\n0.316344 0.718472 0.316344 Mg\n0.316344 0.316344 0.718472 Mg\n0.689109 0.001621 0.393113 Mg\n0.995919 0.653326 0.995919 Mg\n0.614026 0.278619 0.614026 Mg\n0.393113 0.689109 0.001621 Mg\n0.001621 0.393113 0.689109 Mg\n0.172284 0.810696 0.810696 Al\n0.811285 0.628225 0.628225 Al\n0.999839 0.364776 0.185715 Al\n0.628225 0.811285 0.628225 Al\n0.364776 0.185715 0.999839 Al\n0.810696 0.172284 0.810696 Al\n0.185715 0.364776 0.999839 Al\n0.185715 0.999839 0.364776 Al\n0.810696 0.810696 0.172284 Al\n0.364776 0.999839 0.185715 Al\n0.628225 0.628225 0.811285 Al\n0.999839 0.185715 0.364776 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Th",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Th",
"density": 2.6278546163375753,
"density_atomic": 0.048580045589630826,
"volume": 596.9529185907127,
"volume_molar": 12.396325871883077,
"formula_full": "Th1 Mg16 Al12",
"formula_reduced": "Th(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy": -79.43056484,
"energy_per_atom": -2.7389849944827587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.43056484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.093000Z",
"spacegroup": 160
},
{
"id": "mp-982004",
"created_at": "2022-09-04T14:40:17.092939Z",
"structure_string": "Sm3 In3 Pd3\n1.0\n3.925984 -6.800004 0.000000\n3.925984 6.800004 0.000000\n0.000000 0.000000 3.876190\nSm In Pd\n3 3 3\ndirect\n0.591646 0.000000 0.500000 Sm\n0.000000 0.591646 0.500000 Sm\n0.408354 0.408354 0.500000 Sm\n0.257256 0.000000 0.000000 In\n0.000000 0.257256 0.000000 In\n0.742744 0.742744 0.000000 In\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"In",
"Pd"
],
"chemical_system": "In-Pd-Sm",
"density": 8.944395080892145,
"density_atomic": 0.04348603023331541,
"volume": 206.9630166679354,
"volume_molar": 13.848449094317036,
"formula_full": "Sm3 In3 Pd3",
"formula_reduced": "SmInPd",
"formula_anonymous": "ABC",
"energy": -45.1065106,
"energy_per_atom": -5.011834511111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.1065106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2166391,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.072000Z",
"spacegroup": 189
}
]
}