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=-formation_energy&page=11562",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=11560",
"results": [
{
"id": "mp-573498",
"created_at": "2022-09-04T14:48:21.377529Z",
"structure_string": "Yb1 Al2 Ga2\n1.0\n-2.127535 2.127535 5.464156\n2.127535 -2.127535 5.464156\n2.127535 2.127535 -5.464156\nYb Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.612667 0.612667 0.000000 Ga\n0.387333 0.387333 0.000000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Yb",
"density": 6.150723751715839,
"density_atomic": 0.050539797377211794,
"volume": 98.93193600840357,
"volume_molar": 11.915640886038377,
"formula_full": "Yb1 Al2 Ga2",
"formula_reduced": "Yb(AlGa)2",
"formula_anonymous": "AB2C2",
"energy": -17.00762132,
"energy_per_atom": -3.401524264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00762132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:34.881000Z",
"spacegroup": 139
},
{
"id": "mp-776051",
"created_at": "2022-09-04T14:47:18.696156Z",
"structure_string": "Li4 Mn4 Fe2 P6 O24\n1.0\n4.478845 7.359684 0.000000\n-4.478845 7.359684 0.000000\n0.000000 4.190836 7.172691\nLi Mn Fe P O\n4 4 2 6 24\ndirect\n0.862706 0.137294 0.000000 Li\n0.160109 0.839891 0.500000 Li\n0.754112 0.652966 0.098037 Li\n0.347034 0.245888 0.901963 Li\n0.852238 0.352749 0.606170 Mn\n0.647251 0.147762 0.393830 Mn\n0.344724 0.844404 0.094903 Mn\n0.155596 0.655276 0.905097 Mn\n0.002438 0.505208 0.741685 Fe\n0.494792 0.997562 0.258315 Fe\n0.246946 0.061499 0.680349 P\n0.938501 0.753054 0.319651 P\n0.562672 0.437328 0.000000 P\n0.459717 0.540283 0.500000 P\n0.044828 0.249994 0.192617 P\n0.750006 0.955172 0.807383 P\n0.679466 0.020896 0.640521 O\n0.502869 0.387639 0.423167 O\n0.080114 0.248669 0.678218 O\n0.906614 0.180529 0.201275 O\n0.189251 0.904272 0.710739 O\n0.393834 0.082901 0.489309 O\n0.917099 0.606166 0.510691 O\n0.751331 0.919886 0.321782 O\n0.612361 0.497131 0.576833 O\n0.589525 0.243274 0.151283 O\n0.266034 0.560727 0.647765 O\n0.979104 0.320534 0.359479 O\n0.962726 0.692244 0.158862 O\n0.756726 0.410475 0.848717 O\n0.439273 0.733966 0.352235 O\n0.406437 0.462578 0.939836 O\n0.240441 0.101187 0.186164 O\n0.070607 0.403677 0.999812 O\n0.596323 0.929393 0.000188 O\n0.819471 0.093386 0.798725 O\n0.095728 0.810749 0.289261 O\n0.898813 0.759559 0.813836 O\n0.537422 0.593563 0.060164 O\n0.307756 0.037274 0.841138 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P",
"density": 3.2624476541094993,
"density_atomic": 0.08459071060041386,
"volume": 472.8651611516821,
"volume_molar": 7.119151402388783,
"formula_full": "Li4 Mn4 Fe2 P6 O24",
"formula_reduced": "Li2Mn2Fe(PO4)3",
"formula_anonymous": "AB2C2D3E12",
"energy": -310.77223746000004,
"energy_per_atom": -7.769305936500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.10023746,
"band_gap": 0.5299,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0000674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.852000Z",
"spacegroup": 5
},
{
"id": "mp-1195853",
"created_at": "2022-09-04T14:47:18.697114Z",
"structure_string": "La8 Ir28\n1.0\n2.699292 -4.675312 0.000000\n2.699292 4.675312 0.000000\n0.000000 0.000000 26.563353\nLa Ir\n8 28\ndirect\n0.333333 0.666667 0.471078 La\n0.666667 0.333333 0.528922 La\n0.666667 0.333333 0.971078 La\n0.333333 0.666667 0.028922 La\n0.333333 0.666667 0.325508 La\n0.666667 0.333333 0.674492 La\n0.666667 0.333333 0.825508 La\n0.333333 0.666667 0.174492 La\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.832194 0.167806 0.250000 Ir\n0.832194 0.664388 0.250000 Ir\n0.335612 0.167806 0.250000 Ir\n0.167806 0.832194 0.750000 Ir\n0.167806 0.335612 0.750000 Ir\n0.664388 0.832194 0.750000 Ir\n0.834336 0.165664 0.412934 Ir\n0.834336 0.668673 0.412934 Ir\n0.331327 0.165664 0.412934 Ir\n0.165664 0.834336 0.587066 Ir\n0.165664 0.331327 0.587066 Ir\n0.668673 0.834336 0.587066 Ir\n0.165664 0.834336 0.912934 Ir\n0.165664 0.331327 0.912934 Ir\n0.668673 0.834336 0.912934 Ir\n0.834336 0.165664 0.087066 Ir\n0.834336 0.668673 0.087066 Ir\n0.331327 0.165664 0.087066 Ir\n0.000000 0.000000 0.331814 Ir\n0.000000 0.000000 0.668186 Ir\n0.000000 0.000000 0.831814 Ir\n0.000000 0.000000 0.168186 Ir\n0.333333 0.666667 0.666624 Ir\n0.666667 0.333333 0.333376 Ir\n0.666667 0.333333 0.166624 Ir\n0.333333 0.666667 0.833376 Ir\n",
"nsites": 36,
"nelements": 2,
"elements": [
"La",
"Ir"
],
"chemical_system": "Ir-La",
"density": 16.082091636548956,
"density_atomic": 0.053694418785614734,
"volume": 670.460744602468,
"volume_molar": 11.215580494584646,
"formula_full": "La8 Ir28",
"formula_reduced": "La2Ir7",
"formula_anonymous": "A2B7",
"energy": -304.14015078,
"energy_per_atom": -8.448337521666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -304.14015078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.730000Z",
"spacegroup": 194
},
{
"id": "mp-759200",
"created_at": "2022-09-04T14:47:18.699617Z",
"structure_string": "V4 O3 F9\n1.0\n-5.278542 0.027278 0.005382\n-2.614590 -4.699776 -0.010931\n0.005727 -2.803839 8.599670\nV O F\n4 3 9\ndirect\n0.749678 0.500786 0.250220 V\n0.498669 0.974403 0.494187 V\n0.264533 0.519967 0.744706 V\n0.000577 0.025783 0.007241 V\n0.960385 0.238712 0.120107 O\n0.540013 0.762505 0.379266 O\n0.406779 0.738504 0.669462 O\n0.918303 0.749490 0.581631 F\n0.927645 0.744338 0.168989 F\n0.424878 0.749869 0.075808 F\n0.572717 0.257089 0.331724 F\n0.578120 0.241990 0.921579 F\n0.461368 0.239186 0.624841 F\n0.038363 0.748858 0.880754 F\n0.083487 0.255838 0.825902 F\n0.074485 0.252682 0.423582 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.277964649213282,
"density_atomic": 0.07471223190972281,
"volume": 214.15502643975773,
"volume_molar": 8.060448210510891,
"formula_full": "V4 O3 F9",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -115.66557295,
"energy_per_atom": -7.229098309375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.64657295,
"band_gap": 1.6881,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0006124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.704000Z",
"spacegroup": 1
},
{
"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-1225314",
"created_at": "2022-09-04T14:47:18.707475Z",
"structure_string": "Dy2 B8 Ir4 Rh4\n1.0\n5.380172 0.000000 0.000000\n0.000000 5.380172 0.000000\n0.000000 0.000000 7.473099\nDy B Ir Rh\n2 8 4 4\ndirect\n0.500000 0.000000 0.247843 Dy\n0.000000 0.500000 0.747843 Dy\n0.328739 0.500000 0.403865 B\n0.671261 0.500000 0.403865 B\n0.500000 0.328739 0.903865 B\n0.500000 0.671261 0.903865 B\n0.170261 0.000000 0.598054 B\n0.829739 0.000000 0.598054 B\n0.000000 0.170261 0.098054 B\n0.000000 0.829739 0.098054 B\n0.752014 0.500000 0.105262 Ir\n0.247986 0.500000 0.105262 Ir\n0.500000 0.752014 0.605262 Ir\n0.500000 0.247986 0.605262 Ir\n0.749436 0.000000 0.893896 Rh\n0.250564 0.000000 0.893896 Rh\n0.000000 0.749436 0.393896 Rh\n0.000000 0.250564 0.393896 Rh\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Dy",
"B",
"Ir",
"Rh"
],
"chemical_system": "B-Dy-Ir-Rh",
"density": 12.220616167973699,
"density_atomic": 0.08321075251870544,
"volume": 216.31819753046545,
"volume_molar": 7.237214635988598,
"formula_full": "Dy2 B8 Ir4 Rh4",
"formula_reduced": "DyB4(IrRh)2",
"formula_anonymous": "AB2C2D4",
"energy": -137.51779006,
"energy_per_atom": -7.639877225555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.51779006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.161000Z",
"spacegroup": 105
},
{
"id": "mp-1199941",
"created_at": "2022-09-04T14:47:18.712224Z",
"structure_string": "B40 H56 S4\n1.0\n7.601742 0.000000 0.000000\n0.000000 12.297495 0.000000\n0.000000 0.000000 12.794134\nB H S\n40 56 4\ndirect\n0.769674 0.543101 0.070791 B\n0.730326 0.456899 0.570791 B\n0.269674 0.956899 0.929209 B\n0.230326 0.043101 0.429209 B\n0.906634 0.426786 0.081045 B\n0.593366 0.573214 0.581045 B\n0.406634 0.073214 0.918955 B\n0.093366 0.926786 0.418955 B\n0.686086 0.412716 0.036374 B\n0.813914 0.587284 0.536374 B\n0.186086 0.087284 0.963626 B\n0.313914 0.912716 0.463626 B\n0.541855 0.514585 0.085038 B\n0.958145 0.485415 0.585038 B\n0.041855 0.985415 0.914962 B\n0.458145 0.014585 0.414962 B\n0.898641 0.525179 0.184959 B\n0.601359 0.474821 0.684959 B\n0.398641 0.974821 0.815041 B\n0.101359 0.025179 0.315041 B\n0.925463 0.383351 0.208651 B\n0.574537 0.616649 0.708651 B\n0.425463 0.116649 0.791349 B\n0.074537 0.883351 0.291349 B\n0.768843 0.318494 0.125591 B\n0.731157 0.681506 0.625591 B\n0.268843 0.181506 0.874409 B\n0.231157 0.818494 0.374409 B\n0.527099 0.376512 0.128487 B\n0.972901 0.623488 0.628487 B\n0.027099 0.123488 0.871513 B\n0.472901 0.876512 0.371513 B\n0.488852 0.488808 0.213620 B\n0.011148 0.511192 0.713620 B\n0.988852 0.011192 0.786380 B\n0.511148 0.988808 0.286380 B\n0.662198 0.582321 0.186979 B\n0.837802 0.417679 0.686979 B\n0.162198 0.917679 0.813021 B\n0.337802 0.082321 0.313021 B\n0.025656 0.416566 0.021619 H\n0.474344 0.583434 0.521619 H\n0.525656 0.083434 0.978381 H\n0.974344 0.916566 0.478381 H\n0.661901 0.377112 0.950697 H\n0.838099 0.622888 0.450697 H\n0.161901 0.122888 0.049303 H\n0.338099 0.877112 0.549303 H\n0.438295 0.556651 0.027898 H\n0.061705 0.443349 0.527899 H\n0.938295 0.943349 0.972101 H\n0.561705 0.056651 0.472102 H\n0.012832 0.586936 0.208049 H\n0.487168 0.413064 0.708049 H\n0.512832 0.913064 0.791951 H\n0.987168 0.086936 0.291951 H\n0.046014 0.339837 0.250313 H\n0.453986 0.660163 0.750313 H\n0.546014 0.160163 0.749687 H\n0.953986 0.839837 0.249687 H\n0.787419 0.224613 0.105431 H\n0.712581 0.775387 0.605431 H\n0.287419 0.275387 0.894569 H\n0.212581 0.724613 0.394569 H\n0.410384 0.315022 0.109756 H\n0.089616 0.684978 0.609756 H\n0.910384 0.184978 0.890244 H\n0.589616 0.815022 0.390244 H\n0.356545 0.507415 0.260011 H\n0.143455 0.492585 0.760011 H\n0.856545 0.992585 0.739989 H\n0.643455 0.007415 0.239989 H\n0.645563 0.675038 0.212649 H\n0.854437 0.324962 0.712649 H\n0.145563 0.824962 0.787351 H\n0.354437 0.175038 0.287351 H\n0.873399 0.464601 0.270323 H\n0.626601 0.535399 0.770323 H\n0.373399 0.035399 0.729677 H\n0.126601 0.964601 0.229677 H\n0.780951 0.324230 0.228885 H\n0.719049 0.675770 0.728885 H\n0.280951 0.175770 0.771115 H\n0.219049 0.824230 0.271115 H\n0.529823 0.384330 0.232062 H\n0.970177 0.615670 0.732062 H\n0.029823 0.115670 0.767938 H\n0.470177 0.884330 0.267938 H\n0.623275 0.524587 0.271873 H\n0.876725 0.475413 0.771873 H\n0.123275 0.975413 0.728127 H\n0.376725 0.024587 0.228127 H\n0.715219 0.716491 0.980440 H\n0.784781 0.283509 0.480440 H\n0.215219 0.783509 0.019560 H\n0.284781 0.216491 0.519560 H\n0.854095 0.648361 0.978732 S\n0.645905 0.351639 0.478732 S\n0.354095 0.851639 0.021268 S\n0.145905 0.148361 0.521268 S\n",
"nsites": 100,
"nelements": 3,
"elements": [
"B",
"H",
"S"
],
"chemical_system": "B-H-S",
"density": 0.8568314196008026,
"density_atomic": 0.08361021199519497,
"volume": 1196.0261505585818,
"volume_molar": 7.202637831304733,
"formula_full": "B40 H56 S4",
"formula_reduced": "B10H14S",
"formula_anonymous": "AB10C14",
"energy": -496.33726177,
"energy_per_atom": -4.9633726177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -484.30126177000005,
"band_gap": 2.5518,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0938587,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:05.985000Z",
"spacegroup": 19
},
{
"id": "mp-1189913",
"created_at": "2022-09-04T14:47:18.713201Z",
"structure_string": "Sm3 Co11 B4\n1.0\n5.059197 0.000000 0.000000\n-2.529598 4.381393 0.000000\n0.000000 0.000000 9.691505\nSm Co B\n3 11 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.659545 Sm\n0.000000 0.000000 0.340455 Sm\n0.666667 0.333333 0.000000 Co\n0.333333 0.666667 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.797412 Co\n0.500000 0.000000 0.797412 Co\n0.000000 0.500000 0.797412 Co\n0.500000 0.500000 0.202588 Co\n0.500000 0.000000 0.202588 Co\n0.000000 0.500000 0.202588 Co\n0.666667 0.333333 0.650195 B\n0.333333 0.666667 0.650195 B\n0.333333 0.666667 0.349805 B\n0.666667 0.333333 0.349805 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Co",
"B"
],
"chemical_system": "B-Co-Sm",
"density": 8.831900472813382,
"density_atomic": 0.08378909123904853,
"volume": 214.82510114170321,
"volume_molar": 7.1872610992031865,
"formula_full": "Sm3 Co11 B4",
"formula_reduced": "Sm3Co11B4",
"formula_anonymous": "A3B4C11",
"energy": -124.67613161,
"energy_per_atom": -6.926451756111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.67613161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3339451,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.819000Z",
"spacegroup": 191
},
{
"id": "mp-1207210",
"created_at": "2022-09-04T14:47:18.716343Z",
"structure_string": "Sm1 Si1 Pt3\n1.0\n4.095364 0.000000 0.000000\n0.000000 4.095364 0.000000\n0.000000 0.000000 5.509744\nSm Si Pt\n1 1 3\ndirect\n0.500000 0.500000 0.685467 Sm\n0.000000 0.000000 0.971014 Si\n0.500000 0.000000 0.198493 Pt\n0.000000 0.500000 0.198493 Pt\n0.000000 0.000000 0.554733 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Sm",
"density": 13.723156910229093,
"density_atomic": 0.05410701397708246,
"volume": 92.40946103804208,
"volume_molar": 11.130055638536502,
"formula_full": "Sm1 Si1 Pt3",
"formula_reduced": "SmSiPt3",
"formula_anonymous": "ABC3",
"energy": -33.68532085,
"energy_per_atom": -6.737064169999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.68532085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.636000Z",
"spacegroup": 99
},
{
"id": "mp-10101",
"created_at": "2022-09-04T14:47:18.721092Z",
"structure_string": "Cs2 Ag2 C4\n1.0\n5.320939 0.000000 0.000000\n0.000000 5.320939 0.000000\n0.000000 0.000000 9.012542\nCs Ag C\n2 2 4\ndirect\n0.000000 0.000000 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.882577 0.500000 0.500000 C\n0.500000 0.882577 0.000000 C\n0.117423 0.500000 0.500000 C\n0.500000 0.117423 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Ag",
"C"
],
"chemical_system": "Ag-C-Cs",
"density": 3.4463953576592457,
"density_atomic": 0.03135206313967666,
"volume": 255.16662059396788,
"volume_molar": 19.208116330879864,
"formula_full": "Cs2 Ag2 C4",
"formula_reduced": "CsAgC2",
"formula_anonymous": "ABC2",
"energy": -41.49463697,
"energy_per_atom": -5.18682962125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.49463697,
"band_gap": 2.6118,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003085,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.127000Z",
"spacegroup": 131
},
{
"id": "mp-612175",
"created_at": "2022-09-04T14:47:18.822952Z",
"structure_string": "Eu3 As4 Pd4\n1.0\n4.178863 0.000000 0.000000\n0.000000 4.361413 0.000000\n0.000000 0.000000 12.912489\nEu As Pd\n3 4 4\ndirect\n0.500000 0.500000 0.298957 Eu\n0.500000 0.500000 0.701043 Eu\n0.500000 0.000000 0.000000 Eu\n0.000000 0.000000 0.382301 As\n0.000000 0.500000 0.100127 As\n0.000000 0.000000 0.617699 As\n0.000000 0.500000 0.899873 As\n0.000000 0.000000 0.810746 Pd\n0.000000 0.000000 0.189254 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Eu",
"As",
"Pd"
],
"chemical_system": "As-Eu-Pd",
"density": 8.334867410449009,
"density_atomic": 0.04674093259942715,
"volume": 235.33976299255127,
"volume_molar": 12.884083446965295,
"formula_full": "Eu3 As4 Pd4",
"formula_reduced": "Eu3(AsPd)4",
"formula_anonymous": "A3B4C4",
"energy": -80.4980262,
"energy_per_atom": -7.318002381818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.4980262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.3402184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.929000Z",
"spacegroup": 47
},
{
"id": "mp-571208",
"created_at": "2022-09-04T14:47:18.724579Z",
"structure_string": "Dy16 Mg4 Rh4\n1.0\n0.000000 6.856255 6.856255\n6.856255 0.000000 6.856255\n6.856255 6.856255 0.000000\nDy Mg Rh\n16 4 4\ndirect\n0.064628 0.435372 0.435372 Dy\n0.653205 0.040386 0.653205 Dy\n0.812284 0.812284 0.187716 Dy\n0.435372 0.064628 0.064628 Dy\n0.435372 0.435372 0.064628 Dy\n0.187716 0.187716 0.812284 Dy\n0.812284 0.187716 0.187716 Dy\n0.064628 0.435372 0.064628 Dy\n0.435372 0.064628 0.435372 Dy\n0.040386 0.653205 0.653205 Dy\n0.187716 0.812284 0.812284 Dy\n0.653205 0.653205 0.040386 Dy\n0.187716 0.812284 0.187716 Dy\n0.064628 0.064628 0.435372 Dy\n0.812284 0.187716 0.812284 Dy\n0.653205 0.653205 0.653205 Dy\n0.420332 0.420332 0.739004 Mg\n0.420332 0.420332 0.420332 Mg\n0.420332 0.739004 0.420332 Mg\n0.739004 0.420332 0.420332 Mg\n0.858175 0.425475 0.858175 Rh\n0.425475 0.858175 0.858175 Rh\n0.858175 0.858175 0.425475 Rh\n0.858175 0.858175 0.858175 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Rh"
],
"chemical_system": "Dy-Mg-Rh",
"density": 8.008604880333898,
"density_atomic": 0.037232342509984556,
"volume": 644.6008599529816,
"volume_molar": 16.174487969391258,
"formula_full": "Dy16 Mg4 Rh4",
"formula_reduced": "Dy4MgRh",
"formula_anonymous": "ABC4",
"energy": -119.09983325,
"energy_per_atom": -4.9624930520833335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.09983325,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0411995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.531000Z",
"spacegroup": 216
}
]
}