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&page=11520",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11518",
"results": [
{
"id": "mp-1187676",
"created_at": "2022-09-04T14:40:36.610150Z",
"structure_string": "Tm2 Mg4\n1.0\n0.000000 4.223042 4.223042\n4.223042 0.000000 4.223042\n4.223042 4.223042 0.000000\nTm Mg\n2 4\ndirect\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n0.125000 0.625000 0.125000 Mg\n0.125000 0.125000 0.125000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 4.79645555208146,
"density_atomic": 0.039833186772058986,
"volume": 150.6281692784044,
"volume_molar": 15.118400630260984,
"formula_full": "Tm2 Mg4",
"formula_reduced": "TmMg2",
"formula_anonymous": "AB2",
"energy": -15.64264618,
"energy_per_atom": -2.6071076966666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.64264618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0909317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.975000Z",
"spacegroup": 227
},
{
"id": "mp-861947",
"created_at": "2022-09-04T14:40:14.330197Z",
"structure_string": "Li1 Pm2 Ga1\n1.0\n0.000000 3.696808 3.696808\n3.696808 0.000000 3.696808\n3.696808 3.696808 0.000000\nLi Pm Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Ga"
],
"chemical_system": "Ga-Li-Pm",
"density": 6.025688649736205,
"density_atomic": 0.03958670088930025,
"volume": 101.04403524773508,
"volume_molar": 15.212535080506552,
"formula_full": "Li1 Pm2 Ga1",
"formula_reduced": "LiPm2Ga",
"formula_anonymous": "ABC2",
"energy": -15.64141821,
"energy_per_atom": -3.9103545525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.64141821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.339000Z",
"spacegroup": 225
},
{
"id": "mp-1211615",
"created_at": "2022-09-04T14:45:26.296571Z",
"structure_string": "K1 C2\n1.0\n-2.310966 2.634182 3.066845\n2.310966 -2.634182 3.066845\n2.310966 2.634182 -3.066845\nK C\n1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.619922 0.500000 0.119922 C\n0.380078 0.500000 0.880078 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"C"
],
"chemical_system": "C-K",
"density": 1.4035337856399501,
"density_atomic": 0.040172614990852486,
"volume": 74.67773757528893,
"volume_molar": 14.990661577224367,
"formula_full": "K1 C2",
"formula_reduced": "KC2",
"formula_anonymous": "AB2",
"energy": -15.640467660000002,
"energy_per_atom": -5.2134892200000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.640467660000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.486000Z",
"spacegroup": 71
},
{
"id": "mp-1147647",
"created_at": "2022-09-04T14:48:15.596330Z",
"structure_string": "Na1 Br1 O2\n1.0\n4.082227 0.000000 0.000000\n0.000000 4.082227 0.000000\n0.000000 0.000000 3.397431\nNa Br O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Br",
"O"
],
"chemical_system": "Br-Na-O",
"density": 3.9563269764054403,
"density_atomic": 0.07065046823528741,
"volume": 56.61675145136748,
"volume_molar": 8.523851165351731,
"formula_full": "Na1 Br1 O2",
"formula_reduced": "NaBrO2",
"formula_anonymous": "ABC2",
"energy": -15.63833746,
"energy_per_atom": -3.909584365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.26433746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.283000Z",
"spacegroup": 123
},
{
"id": "mp-1186910",
"created_at": "2022-09-04T14:39:46.784594Z",
"structure_string": "Rb1 Ce3\n1.0\n-2.606475 2.606475 5.243851\n2.606475 -2.606475 5.243851\n2.606475 2.606475 -5.243851\nRb Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ce"
],
"chemical_system": "Ce-Rb",
"density": 5.8941885809750785,
"density_atomic": 0.028070007550482296,
"volume": 142.50085229960234,
"volume_molar": 21.454004774204375,
"formula_full": "Rb1 Ce3",
"formula_reduced": "RbCe3",
"formula_anonymous": "AB3",
"energy": -15.63778544,
"energy_per_atom": -3.90944636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63778544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9576269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.628000Z",
"spacegroup": 139
},
{
"id": "mp-980057",
"created_at": "2022-09-04T14:40:27.635558Z",
"structure_string": "Sr1 Al1 Ge1 H1\n1.0\n2.132895 -3.694283 0.000000\n2.132895 3.694283 0.000000\n0.000000 0.000000 4.967268\nSr Al Ge H\n1 1 1 1\ndirect\n0.333333 0.666667 0.995399 Sr\n0.000000 0.000000 0.541951 Al\n0.666667 0.333333 0.438704 Ge\n0.000000 0.000000 0.894748 H\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Sr",
"Al",
"Ge",
"H"
],
"chemical_system": "Al-Ge-H-Sr",
"density": 3.993334167002414,
"density_atomic": 0.05109904291382511,
"volume": 78.27935264356545,
"volume_molar": 11.785232005530732,
"formula_full": "Sr1 Al1 Ge1 H1",
"formula_reduced": "SrAlGeH",
"formula_anonymous": "ABCD",
"energy": -15.63699106,
"energy_per_atom": -3.909247765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.45799106,
"band_gap": 0.7233999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.189000Z",
"spacegroup": 156
},
{
"id": "mp-631366",
"created_at": "2022-09-04T14:42:15.616575Z",
"structure_string": "Tc1 Sn1 Se1\n1.0\n0.000000 3.264632 3.264632\n3.264632 0.000000 3.264632\n3.264632 3.264632 0.000000\nTc Sn Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tc",
"Sn",
"Se"
],
"chemical_system": "Se-Sn-Tc",
"density": 7.055432857351537,
"density_atomic": 0.043111045900209546,
"volume": 69.5877341260565,
"volume_molar": 13.968904335885597,
"formula_full": "Tc1 Sn1 Se1",
"formula_reduced": "TcSnSe",
"formula_anonymous": "ABC",
"energy": -15.63557461,
"energy_per_atom": -5.211858203333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.16357461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3103497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.141000Z",
"spacegroup": 216
},
{
"id": "mp-865006",
"created_at": "2022-09-04T14:39:28.675700Z",
"structure_string": "Dy2 Mg1 Al1\n1.0\n0.000000 3.676780 3.676780\n3.676780 0.000000 3.676780\n3.676780 3.676780 0.000000\nDy Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Dy\n0.750000 0.750000 0.750000 Dy\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Al"
],
"chemical_system": "Al-Dy-Mg",
"density": 6.285427912683917,
"density_atomic": 0.04023713607287283,
"volume": 99.41065369949949,
"volume_molar": 14.96662374055002,
"formula_full": "Dy2 Mg1 Al1",
"formula_reduced": "Dy2MgAl",
"formula_anonymous": "ABC2",
"energy": -15.63551965,
"energy_per_atom": -3.9088799125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63551965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.228000Z",
"spacegroup": 225
},
{
"id": "mp-30434",
"created_at": "2022-09-04T14:41:04.425967Z",
"structure_string": "Ba2 Tl4\n1.0\n2.688261 -4.656204 0.000000\n2.688261 4.656204 0.000000\n0.000000 0.000000 8.679413\nBa Tl\n2 4\ndirect\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333333 0.666667 0.454008 Tl\n0.666667 0.333333 0.954008 Tl\n0.666667 0.333333 0.545992 Tl\n0.333333 0.666667 0.045992 Tl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Tl"
],
"chemical_system": "Ba-Tl",
"density": 8.346845962563386,
"density_atomic": 0.027613882293785478,
"volume": 217.28201547923248,
"volume_molar": 21.80838136387395,
"formula_full": "Ba2 Tl4",
"formula_reduced": "BaTl2",
"formula_anonymous": "AB2",
"energy": -15.63434327,
"energy_per_atom": -2.6057238783333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63434327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001164,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.901000Z",
"spacegroup": 194
},
{
"id": "mp-1603",
"created_at": "2022-09-04T14:46:11.302814Z",
"structure_string": "Tm1 Ga3\n1.0\n4.246469 0.000000 0.000000\n0.000000 4.246469 0.000000\n0.000000 0.000000 4.246469\nTm Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.199277552218721,
"density_atomic": 0.05223674622263386,
"volume": 76.57444785997839,
"volume_molar": 11.528552590801766,
"formula_full": "Tm1 Ga3",
"formula_reduced": "TmGa3",
"formula_anonymous": "AB3",
"energy": -15.63384787,
"energy_per_atom": -3.9084619675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63384787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007428,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.633000Z",
"spacegroup": 221
},
{
"id": "mp-1215450",
"created_at": "2022-09-04T14:48:21.464505Z",
"structure_string": "Zn1 Ge1 As2\n1.0\n6.695084 -2.035039 0.000000\n6.695084 2.035039 0.000000\n6.076513 0.000000 3.470090\nZn Ge As\n1 1 2\ndirect\n0.491938 0.491938 0.491938 Zn\n0.007118 0.007118 0.007118 Ge\n0.129304 0.129304 0.129304 As\n0.621640 0.621640 0.621640 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"As"
],
"chemical_system": "As-Ge-Zn",
"density": 5.055679037010112,
"density_atomic": 0.0423019599819344,
"volume": 94.55826637130411,
"volume_molar": 14.236079752739196,
"formula_full": "Zn1 Ge1 As2",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
"energy": -15.63159802,
"energy_per_atom": -3.907899505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.63159802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.635000Z",
"spacegroup": 160
},
{
"id": "mp-29208",
"created_at": "2022-09-04T14:39:06.548098Z",
"structure_string": "Ca1 Mg2 Bi2\n1.0\n2.401075 -4.158784 0.000000\n2.401075 4.158784 0.000000\n0.000000 0.000000 7.740185\nCa Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.371538 Mg\n0.333333 0.666667 0.628462 Mg\n0.333333 0.666667 0.239162 Bi\n0.666667 0.333333 0.760838 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Bi"
],
"chemical_system": "Bi-Ca-Mg",
"density": 5.442553274512852,
"density_atomic": 0.032345701721036284,
"volume": 154.58004414689233,
"volume_molar": 18.618055690791994,
"formula_full": "Ca1 Mg2 Bi2",
"formula_reduced": "Ca(MgBi)2",
"formula_anonymous": "AB2C2",
"energy": -15.629774780000002,
"energy_per_atom": -3.125954956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.629774780000002,
"band_gap": 0.4878,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.809000Z",
"spacegroup": 164
}
]
}