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_per_atom&page=43",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=41",
"results": [
{
"id": "mp-998881",
"created_at": "2022-09-04T14:42:23.500908Z",
"structure_string": "K1\n1.0\n4.323110 0.000000 0.000000\n0.000000 4.323110 0.000000\n0.000000 0.000000 4.323110\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.803559636532303,
"density_atomic": 0.012376878897354294,
"volume": 80.79581357249621,
"volume_molar": 48.656376215229066,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -0.99023383,
"energy_per_atom": -0.99023383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.99023383,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.947000Z",
"spacegroup": 221
},
{
"id": "mp-1097361",
"created_at": "2022-09-04T14:46:21.410315Z",
"structure_string": "Na1 Hg2 Au1\n1.0\n-5.712176 6.060715 8.545684\n5.712176 -6.060715 8.545684\n5.712176 6.060715 -8.545684\nNa Hg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.258092 0.258092 Hg\n0.000000 0.741908 0.741908 Hg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-Na",
"density": 0.8715730074526999,
"density_atomic": 0.003380085827755567,
"volume": 1183.4019027428267,
"volume_molar": 178.16532084922832,
"formula_full": "Na1 Hg2 Au1",
"formula_reduced": "NaHg2Au",
"formula_anonymous": "ABC2",
"energy": -3.96132233,
"energy_per_atom": -0.9903305825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.96132233,
"band_gap": 1.3268999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.520000Z",
"spacegroup": 71
},
{
"id": "mp-1097489",
"created_at": "2022-09-04T14:48:15.291520Z",
"structure_string": "Ba1 Na2 Pb1\n1.0\n-6.957831 7.719183 10.711220\n6.957831 -7.719183 10.711220\n6.957831 7.719183 -10.711220\nBa Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.284857 0.284857 Na\n0.000000 0.715143 0.715143 Na\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pb"
],
"chemical_system": "Ba-Na-Pb",
"density": 0.2817949875851593,
"density_atomic": 0.0017382644475500812,
"volume": 2301.145838676975,
"volume_molar": 346.4456037450249,
"formula_full": "Ba1 Na2 Pb1",
"formula_reduced": "BaNa2Pb",
"formula_anonymous": "ABC2",
"energy": -3.96687177,
"energy_per_atom": -0.9917179425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.96687177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5457888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.977000Z",
"spacegroup": 71
},
{
"id": "mp-1097540",
"created_at": "2022-09-04T14:42:20.579653Z",
"structure_string": "Tl1 Hg2 Bi1\n1.0\n-5.881710 6.339604 8.799459\n5.881710 -6.339604 8.799459\n5.881710 6.339604 -8.799459\nTl Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.255558 0.255558 Hg\n0.000000 0.744442 0.744442 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Tl",
"density": 1.0305801770902125,
"density_atomic": 0.0030477426284422804,
"volume": 1312.4467803386744,
"volume_molar": 197.59348128020744,
"formula_full": "Tl1 Hg2 Bi1",
"formula_reduced": "TlHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.96796514,
"energy_per_atom": -0.991991285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.96796514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.001446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.212000Z",
"spacegroup": 71
},
{
"id": "mp-1186828",
"created_at": "2022-09-04T14:42:06.839816Z",
"structure_string": "Rb4 Mg2\n1.0\n2.323554 7.696706 0.000000\n-2.323554 7.696706 0.000000\n0.000000 4.192199 10.371444\nRb Mg\n4 2\ndirect\n0.170490 0.170490 0.863008 Rb\n0.829510 0.829510 0.136992 Rb\n0.517558 0.517558 0.309037 Rb\n0.482442 0.482442 0.690963 Rb\n0.201836 0.201836 0.456970 Mg\n0.798164 0.798164 0.543030 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7479231594618512,
"density_atomic": 0.016174257773609847,
"volume": 370.95983531248567,
"volume_molar": 37.232872409303454,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
"formula_anonymous": "AB2",
"energy": -5.95949135,
"energy_per_atom": -0.9932485583333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.95949135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.763000Z",
"spacegroup": 12
},
{
"id": "mp-1185029",
"created_at": "2022-09-04T14:42:00.698651Z",
"structure_string": "K3 Zn1\n1.0\n0.000000 4.693611 4.693611\n4.693611 0.000000 4.693611\n4.693611 4.693611 0.000000\nK Zn\n3 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 1.4670524487430547,
"density_atomic": 0.019342326795840647,
"volume": 206.8003525232629,
"volume_molar": 31.134520802817757,
"formula_full": "K3 Zn1",
"formula_reduced": "K3Zn",
"formula_anonymous": "AB3",
"energy": -3.97829449,
"energy_per_atom": -0.9945736225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.97829449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.519000Z",
"spacegroup": 225
},
{
"id": "mp-1185107",
"created_at": "2022-09-04T14:41:09.911449Z",
"structure_string": "K1 Rb3\n1.0\n0.000000 5.581264 5.581264\n5.581264 0.000000 5.581264\n5.581264 5.581264 0.000000\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.4111766722293548,
"density_atomic": 0.01150356097488494,
"volume": 347.71841595250106,
"volume_molar": 52.35023114275477,
"formula_full": "K1 Rb3",
"formula_reduced": "KRb3",
"formula_anonymous": "AB3",
"energy": -3.98055708,
"energy_per_atom": -0.99513927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.98055708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.823000Z",
"spacegroup": 225
},
{
"id": "mp-1185080",
"created_at": "2022-09-04T14:41:10.747671Z",
"structure_string": "K1 Rb3\n1.0\n7.019450 0.000000 0.000000\n0.000000 7.019450 0.000000\n0.000000 0.000000 7.019450\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Rb"
],
"chemical_system": "K-Rb",
"density": 1.418730242541133,
"density_atomic": 0.011565135799901248,
"volume": 345.8671017104836,
"volume_molar": 52.07150926884423,
"formula_full": "K1 Rb3",
"formula_reduced": "KRb3",
"formula_anonymous": "AB3",
"energy": -3.98212018,
"energy_per_atom": -0.995530045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.98212018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0820842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.959000Z",
"spacegroup": 221
},
{
"id": "mp-1185542",
"created_at": "2022-09-04T14:47:19.209152Z",
"structure_string": "Cs1 K2 Rb1\n1.0\n0.000000 5.587939 5.587939\n5.587939 0.000000 5.587939\n5.587939 5.587939 0.000000\nCs K Rb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cs\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"K",
"Rb"
],
"chemical_system": "Cs-K-Rb",
"density": 1.4112083336775036,
"density_atomic": 0.01146238591088277,
"volume": 348.9674864464533,
"volume_molar": 52.53828310109835,
"formula_full": "Cs1 K2 Rb1",
"formula_reduced": "CsK2Rb",
"formula_anonymous": "ABC2",
"energy": -3.98963758,
"energy_per_atom": -0.997409395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.98963758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.624000Z",
"spacegroup": 225
},
{
"id": "mp-1180991",
"created_at": "2022-09-04T14:39:41.834755Z",
"structure_string": "K5\n1.0\n6.064214 0.000000 0.000000\n0.000000 6.064214 0.000000\n0.000000 0.000000 11.413700\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.695328 K\n0.000000 0.500000 0.695328 K\n0.000000 0.500000 0.304672 K\n0.500000 0.000000 0.304672 K\n",
"nsites": 5,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.7733952238279851,
"density_atomic": 0.011912269593852835,
"volume": 419.7352956635722,
"volume_molar": 50.55410064852499,
"formula_full": "K5",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -4.98716699,
"energy_per_atom": -0.9974333980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.98716699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0352015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.186000Z",
"spacegroup": 123
},
{
"id": "mp-1185031",
"created_at": "2022-09-04T14:45:36.473779Z",
"structure_string": "K3 Zn1\n1.0\n5.848737 0.000000 0.000000\n0.000000 5.848737 0.000000\n0.000000 0.000000 5.848737\nK Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Zn"
],
"chemical_system": "K-Zn",
"density": 1.5163890395573814,
"density_atomic": 0.01999280419584158,
"volume": 200.07198394070122,
"volume_molar": 30.121541235584058,
"formula_full": "K3 Zn1",
"formula_reduced": "K3Zn",
"formula_anonymous": "AB3",
"energy": -3.99238039,
"energy_per_atom": -0.9980950975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.99238039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0169121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.786000Z",
"spacegroup": 221
},
{
"id": "mp-1093885",
"created_at": "2022-09-04T14:47:09.616965Z",
"structure_string": "La2 Mg1 Zn1\n1.0\n-6.216768 6.495402 9.173490\n6.216768 -6.495402 9.173490\n6.216768 6.495402 -9.173490\nLa Mg Zn\n2 1 1\ndirect\n0.000000 0.265467 0.265467 La\n0.000000 0.734533 0.734533 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Zn"
],
"chemical_system": "La-Mg-Zn",
"density": 0.4118799339629421,
"density_atomic": 0.002699570744125843,
"volume": 1481.7170502769147,
"volume_molar": 223.07771608148943,
"formula_full": "La2 Mg1 Zn1",
"formula_reduced": "La2MgZn",
"formula_anonymous": "ABC2",
"energy": -4.0058063,
"energy_per_atom": -1.001451575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.0058063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.086253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.258000Z",
"spacegroup": 71
}
]
}