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=11460",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=11458",
"results": [
{
"id": "mp-28584",
"created_at": "2022-09-04T14:47:08.993342Z",
"structure_string": "Tl8 Cu4 I12\n1.0\n9.293237 0.000000 0.000000\n0.000000 9.619517 0.000000\n0.000000 0.000000 9.817440\nTl Cu I\n8 4 12\ndirect\n0.155646 0.740884 0.852226 Tl\n0.655646 0.759116 0.647774 Tl\n0.844354 0.740884 0.147774 Tl\n0.344354 0.759116 0.352226 Tl\n0.844354 0.259116 0.147774 Tl\n0.344354 0.240884 0.352226 Tl\n0.155646 0.259116 0.852226 Tl\n0.655646 0.240884 0.647774 Tl\n0.956446 0.000000 0.375648 Cu\n0.456446 0.500000 0.124352 Cu\n0.043554 0.000000 0.624352 Cu\n0.543554 0.500000 0.875648 Cu\n0.000000 0.755897 0.500000 I\n0.500000 0.744103 0.000000 I\n0.000000 0.244103 0.500000 I\n0.500000 0.255897 0.000000 I\n0.361802 0.500000 0.667737 I\n0.861802 0.000000 0.832263 I\n0.638198 0.500000 0.332263 I\n0.138198 0.000000 0.167737 I\n0.828843 0.500000 0.834796 I\n0.328843 0.000000 0.665204 I\n0.171157 0.500000 0.165204 I\n0.671157 0.000000 0.334796 I\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"I"
],
"chemical_system": "Cu-I-Tl",
"density": 6.455841025391999,
"density_atomic": 0.02734593056021498,
"volume": 877.64429691477,
"volume_molar": 22.02207288846658,
"formula_full": "Tl8 Cu4 I12",
"formula_reduced": "Tl2CuI3",
"formula_anonymous": "AB2C3",
"energy": -70.09781695,
"energy_per_atom": -2.9207423729166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.54981695,
"band_gap": 1.8619000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.587000Z",
"spacegroup": 58
},
{
"id": "mp-2468",
"created_at": "2022-09-04T14:41:26.056637Z",
"structure_string": "Er1 Hg1\n1.0\n3.697645 0.000000 0.000000\n0.000000 3.697645 0.000000\n0.000000 0.000000 3.697645\nEr Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 12.082116992577475,
"density_atomic": 0.03955982440253137,
"volume": 50.55634169781661,
"volume_molar": 15.222870300745452,
"formula_full": "Er1 Hg1",
"formula_reduced": "ErHg",
"formula_anonymous": "AB",
"energy": -5.84137199,
"energy_per_atom": -2.920685995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84137199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.861000Z",
"spacegroup": 221
},
{
"id": "mp-1213134",
"created_at": "2022-09-04T14:42:55.057199Z",
"structure_string": "Cu2 H4 Cl4\n1.0\n3.977524 0.000000 0.000000\n0.000000 6.619724 0.000000\n0.000000 0.000000 6.713103\nCu H Cl\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.237479 H\n0.000000 0.000000 0.762521 H\n0.000000 0.500000 0.262521 H\n0.000000 0.500000 0.737479 H\n0.190478 0.292771 0.000000 Cl\n0.809522 0.707229 0.000000 Cl\n0.809522 0.792771 0.500000 Cl\n0.190478 0.207229 0.500000 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cu",
"H",
"Cl"
],
"chemical_system": "Cl-Cu-H",
"density": 2.564091600682548,
"density_atomic": 0.056574926444890206,
"volume": 176.75674770414466,
"volume_molar": 10.644540149541662,
"formula_full": "Cu2 H4 Cl4",
"formula_reduced": "Cu(HCl)2",
"formula_anonymous": "AB2C2",
"energy": -29.20641767,
"energy_per_atom": -2.920641767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.75041767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2767909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.075000Z",
"spacegroup": 53
},
{
"id": "mp-24517",
"created_at": "2022-09-04T14:45:56.180819Z",
"structure_string": "Rb2 Ca1 H4\n1.0\n-2.256558 2.256558 7.419966\n2.256558 -2.256558 7.419966\n2.256558 2.256558 -7.419966\nRb Ca H\n2 1 4\ndirect\n0.648016 0.648016 0.000000 Rb\n0.351984 0.351984 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.844531 0.844531 0.000000 H\n0.155469 0.155469 0.000000 H\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"H"
],
"chemical_system": "Ca-H-Rb",
"density": 2.3627853310798708,
"density_atomic": 0.0463172890502748,
"volume": 151.13147041921852,
"volume_molar": 13.001928401861573,
"formula_full": "Rb2 Ca1 H4",
"formula_reduced": "Rb2CaH4",
"formula_anonymous": "AB2C4",
"energy": -20.44363051,
"energy_per_atom": -2.920518644285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.72763051,
"band_gap": 3.3025,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.866000Z",
"spacegroup": 139
},
{
"id": "mp-570589",
"created_at": "2022-09-04T14:39:40.723062Z",
"structure_string": "Se4 Br4\n1.0\n2.684635 -3.573704 0.000000\n2.684635 3.573704 0.000000\n0.000000 0.000000 15.112225\nSe Br\n4 4\ndirect\n0.314741 0.073619 0.451270 Se\n0.573619 0.814741 0.951270 Se\n0.814741 0.573619 0.048730 Se\n0.073619 0.314741 0.548730 Se\n0.052673 0.933767 0.164838 Br\n0.552673 0.433767 0.335162 Br\n0.933767 0.052673 0.835162 Br\n0.433767 0.552673 0.664838 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Se",
"Br"
],
"chemical_system": "Br-Se",
"density": 3.6389186715224646,
"density_atomic": 0.02758847877640438,
"volume": 289.9761188297981,
"volume_molar": 21.828462557894138,
"formula_full": "Se4 Br4",
"formula_reduced": "SeBr",
"formula_anonymous": "AB",
"energy": -23.36288198,
"energy_per_atom": -2.9203602475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22688198,
"band_gap": 1.5238,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.864000Z",
"spacegroup": 41
},
{
"id": "mp-1074062",
"created_at": "2022-09-04T14:41:46.525239Z",
"structure_string": "Mg18 Si10\n1.0\n6.978496 0.000000 0.000000\n-3.488519 6.665905 0.000000\n-3.310591 -1.921307 12.040396\nMg Si\n18 10\ndirect\n0.106161 0.780632 0.646656 Mg\n0.633771 0.043099 0.574705 Mg\n0.002370 0.364592 0.492699 Mg\n0.152932 0.761786 0.410244 Mg\n0.497902 0.656717 0.640344 Mg\n0.528967 0.368512 0.411184 Mg\n0.758379 0.083697 0.108621 Mg\n0.283343 0.938037 0.930402 Mg\n0.964492 0.697966 0.100853 Mg\n0.027689 0.370841 0.965111 Mg\n0.383463 0.280050 0.106943 Mg\n0.467211 0.627919 0.907326 Mg\n0.486066 0.994802 0.281791 Mg\n0.610203 0.044018 0.805056 Mg\n0.194516 0.466681 0.253324 Mg\n0.824915 0.594594 0.826263 Mg\n0.707368 0.717654 0.258688 Mg\n0.326191 0.236700 0.698978 Mg\n0.113685 0.061796 0.280598 Si\n0.973881 0.994307 0.460976 Si\n0.936701 0.988587 0.760665 Si\n0.931756 0.970433 0.957021 Si\n0.791902 0.398610 0.272268 Si\n0.034477 0.361385 0.746809 Si\n0.369238 0.711935 0.098440 Si\n0.604777 0.327248 0.945975 Si\n0.733623 0.412167 0.625152 Si\n0.554035 0.745218 0.432658 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.12970988189965,
"density_atomic": 0.049991515964258944,
"volume": 560.0950373263013,
"volume_molar": 12.046325549130144,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy": -81.7648269,
"energy_per_atom": -2.9201723892857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.4748269,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.543000Z",
"spacegroup": 1
},
{
"id": "mp-865740",
"created_at": "2022-09-04T14:44:20.536847Z",
"structure_string": "Yb1 Cd1 Au2\n1.0\n0.000000 3.494754 3.494754\n3.494754 0.000000 3.494754\n3.494754 3.494754 0.000000\nYb Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Yb",
"density": 13.215532674444152,
"density_atomic": 0.046857613276443666,
"volume": 85.36499664209074,
"volume_molar": 12.852000643889948,
"formula_full": "Yb1 Cd1 Au2",
"formula_reduced": "YbCdAu2",
"formula_anonymous": "ABC2",
"energy": -11.68017488,
"energy_per_atom": -2.92004372,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.68017488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.31e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.233000Z",
"spacegroup": 225
},
{
"id": "mp-865662",
"created_at": "2022-09-04T14:43:54.552816Z",
"structure_string": "Yb2 Ag1 Pb1\n1.0\n0.000000 3.771809 3.771809\n3.771809 0.000000 3.771809\n3.771809 3.771809 0.000000\nYb Ag Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Yb",
"density": 10.229840074113342,
"density_atomic": 0.03727184731041478,
"volume": 107.31960685196007,
"volume_molar": 16.1573444692591,
"formula_full": "Yb2 Ag1 Pb1",
"formula_reduced": "Yb2AgPb",
"formula_anonymous": "ABC2",
"energy": -11.6794566,
"energy_per_atom": -2.91986415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.6794566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.504000Z",
"spacegroup": 225
},
{
"id": "mp-1273",
"created_at": "2022-09-04T14:46:32.036377Z",
"structure_string": "Cs32 Ge32\n1.0\n13.935756 0.000000 0.000000\n0.000000 13.935756 0.000000\n0.000000 0.000000 13.935756\nCs Ge\n32 32\ndirect\n0.334584 0.334584 0.334584 Cs\n0.165416 0.834584 0.165416 Cs\n0.165416 0.165416 0.834584 Cs\n0.834584 0.165416 0.165416 Cs\n0.665416 0.665416 0.334584 Cs\n0.334584 0.665416 0.665416 Cs\n0.665416 0.334584 0.665416 Cs\n0.834584 0.834584 0.834584 Cs\n0.338329 0.139033 0.067063 Cs\n0.161671 0.567063 0.360967 Cs\n0.161671 0.432937 0.639033 Cs\n0.432937 0.360967 0.838329 Cs\n0.567063 0.360967 0.161671 Cs\n0.639033 0.161671 0.432937 Cs\n0.360967 0.838329 0.432937 Cs\n0.067063 0.338329 0.139033 Cs\n0.139033 0.067063 0.338329 Cs\n0.860967 0.932937 0.338329 Cs\n0.067063 0.661671 0.860967 Cs\n0.860967 0.067063 0.661671 Cs\n0.932937 0.661671 0.139033 Cs\n0.932937 0.338329 0.860967 Cs\n0.139033 0.932937 0.661671 Cs\n0.338329 0.860967 0.932937 Cs\n0.661671 0.139033 0.932937 Cs\n0.661671 0.860967 0.067063 Cs\n0.360967 0.161671 0.567063 Cs\n0.639033 0.838329 0.567063 Cs\n0.432937 0.639033 0.161671 Cs\n0.567063 0.639033 0.838329 Cs\n0.838329 0.432937 0.360967 Cs\n0.838329 0.567063 0.639033 Cs\n0.066155 0.066155 0.066155 Ge\n0.433845 0.566155 0.433845 Ge\n0.433845 0.433845 0.566155 Ge\n0.566155 0.433845 0.433845 Ge\n0.933845 0.933845 0.066155 Ge\n0.066155 0.933845 0.933845 Ge\n0.933845 0.066155 0.933845 Ge\n0.566155 0.566155 0.566155 Ge\n0.061289 0.314970 0.428178 Ge\n0.438711 0.928178 0.185030 Ge\n0.438711 0.071822 0.814970 Ge\n0.071822 0.185030 0.561289 Ge\n0.928178 0.185030 0.438711 Ge\n0.814970 0.438711 0.071822 Ge\n0.185030 0.561289 0.071822 Ge\n0.428178 0.061289 0.314970 Ge\n0.314970 0.428178 0.061289 Ge\n0.685030 0.571822 0.061289 Ge\n0.428178 0.938711 0.685030 Ge\n0.685030 0.428178 0.938711 Ge\n0.571822 0.938711 0.314970 Ge\n0.571822 0.061289 0.685030 Ge\n0.314970 0.571822 0.938711 Ge\n0.061289 0.685030 0.571822 Ge\n0.938711 0.314970 0.571822 Ge\n0.938711 0.685030 0.428178 Ge\n0.185030 0.438711 0.928178 Ge\n0.814970 0.561289 0.928178 Ge\n0.071822 0.814970 0.438711 Ge\n0.928178 0.814970 0.561289 Ge\n0.561289 0.071822 0.185030 Ge\n0.561289 0.928178 0.814970 Ge\n",
"nsites": 64,
"nelements": 2,
"elements": [
"Cs",
"Ge"
],
"chemical_system": "Cs-Ge",
"density": 4.035667211001597,
"density_atomic": 0.023647670905791483,
"volume": 2706.397609090794,
"volume_molar": 25.466105241362843,
"formula_full": "Cs32 Ge32",
"formula_reduced": "CsGe",
"formula_anonymous": "AB",
"energy": -186.86311125,
"energy_per_atom": -2.91973611328125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.86311125,
"band_gap": 1.3329,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.277000Z",
"spacegroup": 218
},
{
"id": "mp-30996",
"created_at": "2022-09-04T14:42:44.309203Z",
"structure_string": "Rb2 Au2 Br8\n1.0\n6.374775 0.000000 0.000000\n0.000000 7.683372 0.000000\n0.000000 5.899514 9.203424\nRb Au Br\n2 2 8\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.218597 0.961362 0.670118 Br\n0.718597 0.038638 0.829882 Br\n0.781403 0.038638 0.329882 Br\n0.281403 0.961362 0.170118 Br\n0.984957 0.619737 0.121475 Br\n0.484957 0.380263 0.378525 Br\n0.015043 0.380263 0.878525 Br\n0.515043 0.619737 0.621475 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb",
"density": 4.435532525910827,
"density_atomic": 0.026620431712574104,
"volume": 450.78156994470623,
"volume_molar": 22.622250551840054,
"formula_full": "Rb2 Au2 Br8",
"formula_reduced": "RbAuBr4",
"formula_anonymous": "ABC4",
"energy": -35.03557712,
"energy_per_atom": -2.9196314266666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.76357712,
"band_gap": 1.4772,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002201,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.544000Z",
"spacegroup": 14
},
{
"id": "mp-1055",
"created_at": "2022-09-04T14:41:53.740230Z",
"structure_string": "Cd1 Se1\n1.0\n0.000000 2.873958 2.873958\n2.873958 0.000000 2.873958\n2.873958 2.873958 0.000000\nCd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 6.693510929408785,
"density_atomic": 0.04212682695855501,
"volume": 47.475685789666265,
"volume_molar": 14.2952631251451,
"formula_full": "Cd1 Se1",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -5.839225000000001,
"energy_per_atom": -2.9196125000000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.367225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.459000Z",
"spacegroup": 225
},
{
"id": "mp-1022581",
"created_at": "2022-09-04T14:41:21.328468Z",
"structure_string": "Ce2 Mg12 Zr2\n1.0\n5.043122 0.000000 0.000000\n0.000000 6.528952 0.000000\n0.000000 0.000000 11.643036\nCe Mg Zr\n2 12 2\ndirect\n0.500000 0.500000 0.191077 Ce\n0.500000 0.000000 0.691077 Ce\n0.000000 0.756767 0.073753 Mg\n0.000000 0.243233 0.073753 Mg\n0.000000 0.000000 0.329300 Mg\n0.500000 0.259789 0.426235 Mg\n0.500000 0.740211 0.426235 Mg\n0.500000 0.000000 0.169179 Mg\n0.000000 0.256767 0.573753 Mg\n0.000000 0.743233 0.573753 Mg\n0.000000 0.500000 0.829300 Mg\n0.500000 0.759789 0.926235 Mg\n0.500000 0.240211 0.926235 Mg\n0.500000 0.500000 0.669179 Mg\n0.000000 0.500000 0.310465 Zr\n0.000000 0.000000 0.810465 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Zr"
],
"chemical_system": "Ce-Mg-Zr",
"density": 3.2674356591587186,
"density_atomic": 0.04173599696793938,
"volume": 383.3621133404535,
"volume_molar": 14.429128803670531,
"formula_full": "Ce2 Mg12 Zr2",
"formula_reduced": "CeMg6Zr",
"formula_anonymous": "ABC6",
"energy": -46.7089579,
"energy_per_atom": -2.91930986875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.7089579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.016174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.663000Z",
"spacegroup": 38
}
]
}