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=energy_uncorrected&page=12137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12135",
"results": [
{
"id": "mp-973056",
"created_at": "2022-09-04T14:48:14.060466Z",
"structure_string": "Na2 Cd1 Hg1\n1.0\n0.000000 3.756446 3.756446\n3.756446 0.000000 3.756446\n3.756446 3.756446 0.000000\nNa Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Na",
"density": 5.622876647666106,
"density_atomic": 0.03773101995545027,
"volume": 106.0135666812844,
"volume_molar": 15.960715525608519,
"formula_full": "Na2 Cd1 Hg1",
"formula_reduced": "Na2CdHg",
"formula_anonymous": "ABC2",
"energy": -4.46907751,
"energy_per_atom": -1.1172693775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46907751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.192000Z",
"spacegroup": 225
},
{
"id": "mp-1002227",
"created_at": "2022-09-04T14:42:56.932351Z",
"structure_string": "Rb1 Sb1\n1.0\n0.000000 3.798500 3.798500\n3.798500 0.000000 3.798500\n3.798500 3.798500 0.000000\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 3.1392848631566546,
"density_atomic": 0.018245829312669392,
"volume": 109.61409129325001,
"volume_molar": 33.0055743523721,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy": -4.65710535,
"energy_per_atom": -2.328552675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46510535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9988714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.840000Z",
"spacegroup": 225
},
{
"id": "mp-1096426",
"created_at": "2022-09-04T14:43:21.068586Z",
"structure_string": "Cs1 Na2 Bi1\n1.0\n-7.161577 7.312419 10.222336\n7.161577 -7.312419 10.222336\n7.161577 7.312419 -10.222336\nCs Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.285966 0.285966 Na\n0.000000 0.714034 0.714034 Na\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Na",
"Bi"
],
"chemical_system": "Bi-Cs-Na",
"density": 0.30078089625787324,
"density_atomic": 0.0018680139454171107,
"volume": 2141.311637321228,
"volume_molar": 322.3820022743626,
"formula_full": "Cs1 Na2 Bi1",
"formula_reduced": "CsNa2Bi",
"formula_anonymous": "ABC2",
"energy": -4.46452965,
"energy_per_atom": -1.1161324125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46452965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4734346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.932000Z",
"spacegroup": 71
},
{
"id": "mp-1095945",
"created_at": "2022-09-04T14:47:13.632266Z",
"structure_string": "La1 Sn1 Hg2\n1.0\n-6.007849 9.398394 10.886611\n6.007849 -9.398394 10.886611\n6.007849 9.398394 -10.886611\nLa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sn\n0.000000 0.237699 0.237699 Hg\n0.000000 0.762301 0.762301 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sn",
"Hg"
],
"chemical_system": "Hg-La-Sn",
"density": 0.44491223517680123,
"density_atomic": 0.0016268017793181471,
"volume": 2458.812161907364,
"volume_molar": 370.18282353515144,
"formula_full": "La1 Sn1 Hg2",
"formula_reduced": "LaSnHg2",
"formula_anonymous": "ABC2",
"energy": -4.46356986,
"energy_per_atom": -1.115892465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46356986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3878068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.152000Z",
"spacegroup": 71
},
{
"id": "mp-1097526",
"created_at": "2022-09-04T14:40:11.721314Z",
"structure_string": "Li1 Hg2 Au1\n1.0\n-5.401849 5.578494 7.871062\n5.401849 -5.578494 7.871062\n5.401849 5.578494 -7.871062\nLi Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.244469 0.244469 Hg\n0.000000 0.755531 0.755531 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Li",
"density": 1.059045436867533,
"density_atomic": 0.004216064596928437,
"volume": 948.7520667767169,
"volume_molar": 142.8379623117577,
"formula_full": "Li1 Hg2 Au1",
"formula_reduced": "LiHg2Au",
"formula_anonymous": "ABC2",
"energy": -4.46277878,
"energy_per_atom": -1.115694695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.46277878,
"band_gap": 1.7888000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.251000Z",
"spacegroup": 71
},
{
"id": "mp-10751",
"created_at": "2022-09-04T14:43:10.127771Z",
"structure_string": "Dy1\n1.0\n-2.000643 2.000643 2.000643\n2.000643 -2.000643 2.000643\n2.000643 2.000643 -2.000643\nDy\n1\ndirect\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.424297100481851,
"density_atomic": 0.031219878745042194,
"volume": 32.0308739238394,
"volume_molar": 19.289443143517442,
"formula_full": "Dy1",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -4.45980124,
"energy_per_atom": -4.45980124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45980124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1565828,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.859000Z",
"spacegroup": 229
},
{
"id": "mp-1096051",
"created_at": "2022-09-04T14:48:02.824282Z",
"structure_string": "Li1 Cd2 Cu1\n1.0\n-5.376745 5.456442 7.709052\n5.376745 -5.456442 7.709052\n5.376745 5.456442 -7.709052\nLi Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.261587 0.261587 Cd\n0.000000 0.738413 0.738413 Cd\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Li",
"density": 0.5420456093005805,
"density_atomic": 0.0044215041988915,
"volume": 904.6695016150445,
"volume_molar": 136.20117700012113,
"formula_full": "Li1 Cd2 Cu1",
"formula_reduced": "LiCd2Cu",
"formula_anonymous": "ABC2",
"energy": -4.45973893,
"energy_per_atom": -1.1149347325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45973893,
"band_gap": 1.3917000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.635000Z",
"spacegroup": 71
},
{
"id": "mp-1093583",
"created_at": "2022-09-04T14:48:12.060693Z",
"structure_string": "Na2 Hg1 Bi1\n1.0\n-6.194895 6.387509 9.005080\n6.194895 -6.387509 9.005080\n6.194895 6.387509 -9.005080\nNa Hg Bi\n2 1 1\ndirect\n0.000000 0.259856 0.259856 Na\n0.000000 0.740144 0.740144 Na\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Na",
"density": 0.5307280583351984,
"density_atomic": 0.0028063830576147554,
"volume": 1425.322173730532,
"volume_molar": 214.587268963861,
"formula_full": "Na2 Hg1 Bi1",
"formula_reduced": "Na2HgBi",
"formula_anonymous": "ABC2",
"energy": -4.45521744,
"energy_per_atom": -1.11380436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45521744,
"band_gap": 0.0071000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0096893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.495000Z",
"spacegroup": 71
},
{
"id": "mp-1039010",
"created_at": "2022-09-04T14:47:39.877710Z",
"structure_string": "Mg1 Al1\n1.0\n0.000000 2.875805 2.875805\n2.875805 0.000000 2.875805\n2.875805 2.875805 0.000000\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 1.7903757519655656,
"density_atomic": 0.04204571058867863,
"volume": 47.56727789822458,
"volume_molar": 14.322842153657268,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy": -4.45398604,
"energy_per_atom": -2.22699302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45398604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.414000Z",
"spacegroup": 225
},
{
"id": "mp-632319",
"created_at": "2022-09-04T14:39:23.697847Z",
"structure_string": "Cs1 H1\n1.0\n3.858608 0.000000 0.000000\n0.000000 3.858608 0.000000\n0.000000 0.000000 3.858608\nCs H\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"H"
],
"chemical_system": "Cs-H",
"density": 3.870625262107667,
"density_atomic": 0.03481272460499825,
"volume": 57.45025770585188,
"volume_molar": 17.29867693014574,
"formula_full": "Cs1 H1",
"formula_reduced": "CsH",
"formula_anonymous": "AB",
"energy": -4.62937664,
"energy_per_atom": -2.31468832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.45037664,
"band_gap": 2.5693,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.697000Z",
"spacegroup": 221
},
{
"id": "mp-1184861",
"created_at": "2022-09-04T14:47:32.646504Z",
"structure_string": "K3 Be1\n1.0\n0.000000 4.483526 4.483526\n4.483526 0.000000 4.483526\n4.483526 4.483526 0.000000\nK Be\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Be"
],
"chemical_system": "Be-K",
"density": 1.1635571683158192,
"density_atomic": 0.022190695696149107,
"volume": 180.25572766040614,
"volume_molar": 27.13813411917978,
"formula_full": "K3 Be1",
"formula_reduced": "K3Be",
"formula_anonymous": "AB3",
"energy": -4.44644407,
"energy_per_atom": -1.1116110175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44644407,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0131663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.501000Z",
"spacegroup": 225
},
{
"id": "mp-1096321",
"created_at": "2022-09-04T14:46:59.865391Z",
"structure_string": "Mg2 Zn1 Au1\n1.0\n-5.371416 5.643807 7.976551\n5.371416 -5.643807 7.976551\n5.371416 5.643807 -7.976551\nMg Zn Au\n2 1 1\ndirect\n0.000000 0.257701 0.257701 Mg\n0.000000 0.742299 0.742299 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Au"
],
"chemical_system": "Au-Mg-Zn",
"density": 0.5338918040918875,
"density_atomic": 0.004135460827074951,
"volume": 967.2440792600221,
"volume_molar": 145.62199986451125,
"formula_full": "Mg2 Zn1 Au1",
"formula_reduced": "Mg2ZnAu",
"formula_anonymous": "ABC2",
"energy": -4.44529982,
"energy_per_atom": -1.111324955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.44529982,
"band_gap": 0.0030000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.977000Z",
"spacegroup": 71
}
]
}