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=11540",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11538",
"results": [
{
"id": "mp-1215413",
"created_at": "2022-09-04T14:44:17.380714Z",
"structure_string": "Zn1 Cu2 Ni1\n1.0\n8.273982 -1.297209 0.000000\n8.273982 1.297209 0.000000\n8.070603 0.000000 2.237608\nZn Cu Ni\n1 2 1\ndirect\n0.748081 0.748081 0.748081 Zn\n0.501119 0.501119 0.501119 Cu\n0.251229 0.251229 0.251229 Cu\n0.999571 0.999571 0.999571 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Zn",
"density": 8.684014182639356,
"density_atomic": 0.08327630836955449,
"volume": 48.03286887129095,
"volume_molar": 7.231517436238411,
"formula_full": "Zn1 Cu2 Ni1",
"formula_reduced": "ZnCu2Ni",
"formula_anonymous": "ABC2",
"energy": -15.39723707,
"energy_per_atom": -3.8493092675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.39723707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.783000Z",
"spacegroup": 160
},
{
"id": "mp-1080226",
"created_at": "2022-09-04T14:46:16.749332Z",
"structure_string": "Cs1 Tl1 Br3\n1.0\n4.149778 4.149720 0.000000\n-4.149778 4.149720 0.000000\n0.000000 0.000639 5.867295\nCs Tl Br\n1 1 3\ndirect\n0.001874 0.001874 0.995257 Cs\n0.504047 0.504047 0.484182 Tl\n0.504577 0.001572 0.486287 Br\n0.495017 0.495017 0.985073 Br\n0.001572 0.504577 0.486287 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Tl",
"Br"
],
"chemical_system": "Br-Cs-Tl",
"density": 4.741479732296074,
"density_atomic": 0.024743345892026106,
"volume": 202.07453033307516,
"volume_molar": 24.338425313533367,
"formula_full": "Cs1 Tl1 Br3",
"formula_reduced": "CsTlBr3",
"formula_anonymous": "ABC3",
"energy": -15.39715207,
"energy_per_atom": -3.079430414,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.79515207,
"band_gap": 0.5494000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.012000Z",
"spacegroup": 8
},
{
"id": "mp-13911",
"created_at": "2022-09-04T14:41:07.626162Z",
"structure_string": "Ca1 Zn2 Ge2\n1.0\n-2.162141 2.162141 5.342483\n2.162141 -2.162141 5.342483\n2.162141 2.162141 -5.342483\nCa Zn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.382406 0.382406 0.000000 Ge\n0.617594 0.617594 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ge"
],
"chemical_system": "Ca-Ge-Zn",
"density": 5.25541278882494,
"density_atomic": 0.05004939586993495,
"volume": 99.9013057618851,
"volume_molar": 12.032394508117422,
"formula_full": "Ca1 Zn2 Ge2",
"formula_reduced": "Ca(ZnGe)2",
"formula_anonymous": "AB2C2",
"energy": -15.39474533,
"energy_per_atom": -3.078949066,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.39474533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.051000Z",
"spacegroup": 139
},
{
"id": "mp-1183549",
"created_at": "2022-09-04T14:45:28.277639Z",
"structure_string": "Ca1 Tb3\n1.0\n5.109847 0.000000 0.000000\n0.000000 5.109847 0.000000\n0.000000 0.000000 5.109847\nCa Tb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Tb"
],
"chemical_system": "Ca-Tb",
"density": 6.432700496943458,
"density_atomic": 0.029980322586542714,
"volume": 133.42084590495642,
"volume_molar": 20.08697785894793,
"formula_full": "Ca1 Tb3",
"formula_reduced": "CaTb3",
"formula_anonymous": "AB3",
"energy": -15.39303762,
"energy_per_atom": -3.848259405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.39303762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3070624,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.800000Z",
"spacegroup": 221
},
{
"id": "mp-862837",
"created_at": "2022-09-04T14:46:33.637943Z",
"structure_string": "Pm1 Al1 Ag2\n1.0\n0.000000 3.485201 3.485201\n3.485201 0.000000 3.485201\n3.485201 3.485201 0.000000\nPm Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Pm",
"density": 7.604164562689587,
"density_atomic": 0.0472439831284564,
"volume": 84.66686623615115,
"volume_molar": 12.746894654554842,
"formula_full": "Pm1 Al1 Ag2",
"formula_reduced": "PmAlAg2",
"formula_anonymous": "ABC2",
"energy": -15.39267425,
"energy_per_atom": -3.8481685625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.39267425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.741000Z",
"spacegroup": 225
},
{
"id": "mp-1094265",
"created_at": "2022-09-04T14:40:54.084634Z",
"structure_string": "Mg5 Ti1\n1.0\n1.548043 -2.681289 0.000000\n1.548043 2.681289 0.000000\n0.000000 0.000000 15.434916\nMg Ti\n5 1\ndirect\n0.666667 0.333333 0.837116 Mg\n0.000000 0.000000 0.667042 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.332958 Mg\n0.666667 0.333333 0.162884 Mg\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.195235315991223,
"density_atomic": 0.04682635335360859,
"volume": 128.13297577735938,
"volume_molar": 12.860580268815477,
"formula_full": "Mg5 Ti1",
"formula_reduced": "Mg5Ti",
"formula_anonymous": "AB5",
"energy": -15.38808202,
"energy_per_atom": -2.5646803366666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38808202,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.287000Z",
"spacegroup": 187
},
{
"id": "mp-978543",
"created_at": "2022-09-04T14:46:02.192805Z",
"structure_string": "Sm1 Er1 Tl2\n1.0\n0.000000 3.816278 3.816278\n3.816278 0.000000 3.816278\n3.816278 3.816278 0.000000\nSm Er Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Er",
"Tl"
],
"chemical_system": "Er-Sm-Tl",
"density": 10.850913880459888,
"density_atomic": 0.035984045270362926,
"volume": 111.16037593734544,
"volume_molar": 16.735585770730278,
"formula_full": "Sm1 Er1 Tl2",
"formula_reduced": "SmErTl2",
"formula_anonymous": "ABC2",
"energy": -15.38493362,
"energy_per_atom": -3.846233405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38493362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.620000Z",
"spacegroup": 225
},
{
"id": "mp-11419",
"created_at": "2022-09-04T14:47:18.704312Z",
"structure_string": "Th1 Ga2\n1.0\n2.140597 -3.707623 0.000000\n2.140597 3.707623 0.000000\n0.000000 0.000000 4.244329\nTh Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Th",
"Ga"
],
"chemical_system": "Ga-Th",
"density": 9.15629474098847,
"density_atomic": 0.04452990186658535,
"volume": 67.3704606174118,
"volume_molar": 13.523813230136346,
"formula_full": "Th1 Ga2",
"formula_reduced": "ThGa2",
"formula_anonymous": "AB2",
"energy": -15.38459251,
"energy_per_atom": -5.128197503333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38459251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.91e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.473000Z",
"spacegroup": 191
},
{
"id": "mp-1069538",
"created_at": "2022-09-04T14:41:16.637887Z",
"structure_string": "Cs1 Pb1 I3\n1.0\n6.414145 0.000000 0.000000\n0.000000 6.414145 0.000000\n0.000000 0.000000 6.414145\nCs Pb I\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n0.500000 0.000000 0.000000 I\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Pb",
"I"
],
"chemical_system": "Cs-I-Pb",
"density": 4.535852458397697,
"density_atomic": 0.018947577140602186,
"volume": 263.88598198582616,
"volume_molar": 31.78317056218939,
"formula_full": "Cs1 Pb1 I3",
"formula_reduced": "CsPbI3",
"formula_anonymous": "ABC3",
"energy": -15.38354776,
"energy_per_atom": -3.076709552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.246547760000002,
"band_gap": 1.4785,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.211000Z",
"spacegroup": 221
},
{
"id": "mp-1529",
"created_at": "2022-09-04T14:42:20.972564Z",
"structure_string": "Lu1 Ir1\n1.0\n3.355690 0.000000 0.000000\n0.000000 3.355690 0.000000\n0.000000 0.000000 3.355690\nLu Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Ir"
],
"chemical_system": "Ir-Lu",
"density": 16.135682693952617,
"density_atomic": 0.052927879469290055,
"volume": 37.787268639025015,
"volume_molar": 11.378012534007114,
"formula_full": "Lu1 Ir1",
"formula_reduced": "LuIr",
"formula_anonymous": "AB",
"energy": -15.38350126,
"energy_per_atom": -7.69175063,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38350126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001313,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.295000Z",
"spacegroup": 221
},
{
"id": "mp-1093622",
"created_at": "2022-09-04T14:40:10.864784Z",
"structure_string": "Al2 Tc1 Pt1\n1.0\n-4.765725 5.174743 7.218482\n4.765725 -5.174743 7.218482\n4.765725 5.174743 -7.218482\nAl Tc Pt\n2 1 1\ndirect\n0.000000 0.253662 0.253662 Al\n0.000000 0.746338 0.746338 Al\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Tc",
"Pt"
],
"chemical_system": "Al-Pt-Tc",
"density": 0.8093080409444315,
"density_atomic": 0.005617413040067499,
"volume": 712.0715481430819,
"volume_molar": 107.2048773527189,
"formula_full": "Al2 Tc1 Pt1",
"formula_reduced": "Al2TcPt",
"formula_anonymous": "ABC2",
"energy": -15.38212946,
"energy_per_atom": -3.845532365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38212946,
"band_gap": 0.8066,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9998578,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.665000Z",
"spacegroup": 71
},
{
"id": "mp-862749",
"created_at": "2022-09-04T14:47:26.322559Z",
"structure_string": "Sm1 Al1 Ag2\n1.0\n0.000000 3.472507 3.472507\n3.472507 0.000000 3.472507\n3.472507 3.472507 0.000000\nSm Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Sm",
"density": 7.794143223061621,
"density_atomic": 0.04776399080169362,
"volume": 83.74509610403341,
"volume_molar": 12.608118917455421,
"formula_full": "Sm1 Al1 Ag2",
"formula_reduced": "SmAlAg2",
"formula_anonymous": "ABC2",
"energy": -15.38194294,
"energy_per_atom": -3.845485735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.38194294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.671000Z",
"spacegroup": 225
}
]
}