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=-band_gap&page=12149",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12147",
"results": [
{
"id": "mp-1075341",
"created_at": "2022-09-04T14:44:22.146414Z",
"structure_string": "Mg6 Si8\n1.0\n4.867684 0.000000 0.000000\n2.071075 7.576253 0.000000\n1.193325 3.377658 7.252019\nMg Si\n6 8\ndirect\n0.211867 0.161960 0.281809 Mg\n0.583778 0.234994 0.876423 Mg\n0.730759 0.619013 0.542544 Mg\n0.235729 0.738763 0.278965 Mg\n0.627479 0.440859 0.156365 Mg\n0.258150 0.966177 0.805654 Mg\n0.185798 0.687096 0.686237 Si\n0.771641 0.018957 0.260377 Si\n0.794524 0.263557 0.522637 Si\n0.253856 0.353752 0.505357 Si\n0.025813 0.388992 0.884332 Si\n0.107439 0.600917 0.020729 Si\n0.752877 0.940099 0.595826 Si\n0.713491 0.838317 0.082635 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.300477239751631,
"density_atomic": 0.05234705533622867,
"volume": 267.44579824169773,
"volume_molar": 11.504258876300462,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.73623687,
"energy_per_atom": -3.6240169192857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.30423687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.874000Z",
"spacegroup": 1
},
{
"id": "mp-757118",
"created_at": "2022-09-04T14:44:22.156115Z",
"structure_string": "Li2 Mn4 F12\n1.0\n4.738144 0.000000 0.000000\n0.000000 4.738144 0.000000\n0.000000 0.000000 9.605606\nLi Mn F\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.165917 Mn\n0.000000 0.000000 0.334083 Mn\n0.000000 0.000000 0.665917 Mn\n0.500000 0.500000 0.834083 Mn\n0.303259 0.696741 0.000000 F\n0.202607 0.202607 0.167334 F\n0.797393 0.797393 0.167334 F\n0.297393 0.702607 0.332666 F\n0.702607 0.297393 0.332666 F\n0.196741 0.196741 0.500000 F\n0.803259 0.803259 0.500000 F\n0.297393 0.702607 0.667334 F\n0.702607 0.297393 0.667334 F\n0.202607 0.202607 0.832666 F\n0.797393 0.797393 0.832666 F\n0.696741 0.303259 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.5545755350399446,
"density_atomic": 0.0834701560018149,
"volume": 215.64593696947952,
"volume_molar": 7.2147232597349635,
"formula_full": "Li2 Mn4 F12",
"formula_reduced": "LiMn2F6",
"formula_anonymous": "AB2C6",
"energy": -116.00080093,
"energy_per_atom": -6.444488940555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.78480093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.002433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.542000Z",
"spacegroup": 136
},
{
"id": "mp-10398",
"created_at": "2022-09-04T14:44:22.484165Z",
"structure_string": "Ho2 Ni8 B2\n1.0\n2.475938 -4.288450 0.000000\n2.475938 4.288450 0.000000\n0.000000 0.000000 6.949218\nHo Ni B\n2 8 2\ndirect\n0.000000 0.000000 0.500000 Ho\n0.000000 0.000000 0.000000 Ho\n0.000000 0.500000 0.208288 Ni\n0.500000 0.000000 0.791712 Ni\n0.500000 0.500000 0.791712 Ni\n0.000000 0.500000 0.791712 Ni\n0.333333 0.666667 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.500000 0.000000 0.208288 Ni\n0.500000 0.500000 0.208288 Ni\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 9.238511236172453,
"density_atomic": 0.08131584853914485,
"volume": 147.57270834139163,
"volume_molar": 7.405863516385722,
"formula_full": "Ho2 Ni8 B2",
"formula_reduced": "HoNi4B",
"formula_anonymous": "ABC4",
"energy": -74.78514356,
"energy_per_atom": -6.2320952966666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.78514356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.655000Z",
"spacegroup": 191
},
{
"id": "mp-559906",
"created_at": "2022-09-04T14:44:22.165261Z",
"structure_string": "U6 O16\n1.0\n3.492179 -5.816186 0.000000\n3.492179 5.816186 0.000000\n0.000000 0.000000 8.318496\nU O\n6 16\ndirect\n0.324192 0.683970 0.250000 U\n0.010604 0.010604 0.250000 U\n0.316030 0.675808 0.750000 U\n0.675808 0.316030 0.750000 U\n0.683970 0.324192 0.250000 U\n0.989396 0.989396 0.750000 U\n0.318253 0.681747 0.000000 O\n0.527382 0.527382 0.750000 O\n0.000000 0.000000 0.500000 O\n0.027491 0.337267 0.250000 O\n0.972509 0.662733 0.750000 O\n0.337267 0.027491 0.250000 O\n0.681747 0.318253 0.500000 O\n0.047561 0.324961 0.750000 O\n0.675039 0.952439 0.250000 O\n0.324961 0.047561 0.750000 O\n0.681747 0.318253 0.000000 O\n0.318253 0.681747 0.500000 O\n0.472618 0.472618 0.250000 O\n0.952439 0.675039 0.250000 O\n0.000000 0.000000 0.000000 O\n0.662733 0.972509 0.750000 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.276064187418452,
"density_atomic": 0.06510481211954956,
"volume": 337.9166498415234,
"volume_molar": 9.249916502242208,
"formula_full": "U6 O16",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy": -228.40098104,
"energy_per_atom": -10.381862774545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.40898104,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000881,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.343000Z",
"spacegroup": 63
},
{
"id": "mp-1181720",
"created_at": "2022-09-04T14:44:22.172199Z",
"structure_string": "Cr1 Cu3 Pb1 Se4\n1.0\n6.014766 0.000000 0.000000\n0.000000 6.014766 0.000000\n0.000000 0.000000 6.014766\nCr Cu Pb Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Pb\n0.227837 0.227837 0.227837 Se\n0.772163 0.772163 0.227837 Se\n0.227837 0.772163 0.772163 Se\n0.772163 0.227837 0.772163 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cr",
"Cu",
"Pb",
"Se"
],
"chemical_system": "Cr-Cu-Pb-Se",
"density": 5.843012910147864,
"density_atomic": 0.04136054960930627,
"volume": 217.5986558451092,
"volume_molar": 14.56010816317827,
"formula_full": "Cr1 Cu3 Pb1 Se4",
"formula_reduced": "CrCu3PbSe4",
"formula_anonymous": "ABC3D4",
"energy": -43.11573328,
"energy_per_atom": -4.790637031111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.22773328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0001155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.145000Z",
"spacegroup": 215
},
{
"id": "mp-1228303",
"created_at": "2022-09-04T14:44:22.171865Z",
"structure_string": "Ca4 Al4 Fe2 Si6 O26\n1.0\n0.000000 -5.813213 0.000000\n-8.348614 0.000000 2.003799\n-2.274467 0.000000 -10.290198\nCa Al Fe Si O\n4 4 2 6 26\ndirect\n0.750000 0.925408 0.341621 Ca\n0.250000 0.074592 0.658379 Ca\n0.250000 0.094130 0.347360 Ca\n0.750000 0.905870 0.652640 Ca\n0.750000 0.230395 0.147941 Al\n0.250000 0.769605 0.852059 Al\n0.750000 0.401542 0.424159 Al\n0.250000 0.598458 0.575841 Al\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.438128 0.327972 Si\n0.750000 0.561872 0.672028 Si\n0.250000 0.676493 0.148989 Si\n0.750000 0.323507 0.851011 Si\n0.750000 0.607179 0.221708 Si\n0.250000 0.392821 0.778292 Si\n0.250000 0.486694 0.174145 O\n0.750000 0.513306 0.825855 O\n0.750000 0.879262 0.023245 O\n0.250000 0.120738 0.976755 O\n0.250000 0.793824 0.025075 O\n0.750000 0.206176 0.974925 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.524662 0.089290 0.177283 O\n0.024662 0.910710 0.822717 O\n0.475338 0.910710 0.822717 O\n0.975338 0.089290 0.177283 O\n0.750000 0.439623 0.148704 O\n0.250000 0.560377 0.851296 O\n0.479971 0.329116 0.358235 O\n0.979971 0.670884 0.641765 O\n0.520029 0.670884 0.641765 O\n0.020029 0.329116 0.358235 O\n0.516488 0.720895 0.199755 O\n0.016488 0.279105 0.800245 O\n0.483512 0.279105 0.800245 O\n0.983512 0.720895 0.199755 O\n0.250000 0.597327 0.411641 O\n0.750000 0.402673 0.588359 O\n0.750000 0.596426 0.374967 O\n0.250000 0.403574 0.625033 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
"Ca",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Ca-Fe-O-Si",
"density": 3.045186855429493,
"density_atomic": 0.07986296504441676,
"volume": 525.9008349695155,
"volume_molar": 7.540592509495125,
"formula_full": "Ca4 Al4 Fe2 Si6 O26",
"formula_reduced": "Ca2Al2FeSi3O13",
"formula_anonymous": "AB2C2D3E13",
"energy": -319.08384628000005,
"energy_per_atom": -7.5972344352380965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -296.70984628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.700000Z",
"spacegroup": 11
},
{
"id": "mp-1080733",
"created_at": "2022-09-04T14:44:22.182542Z",
"structure_string": "Hf3 Co3 Sn3\n1.0\n3.277796 -5.677310 0.000000\n3.277796 5.677310 0.000000\n0.000000 0.000000 4.318458\nHf Co Sn\n3 3 3\ndirect\n0.468210 0.000000 0.500000 Hf\n0.000000 0.468210 0.500000 Hf\n0.531790 0.531790 0.500000 Hf\n0.764817 0.000000 0.000000 Co\n0.000000 0.764817 0.000000 Co\n0.235183 0.235183 0.000000 Co\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Sn"
],
"chemical_system": "Co-Hf-Sn",
"density": 11.038233648049452,
"density_atomic": 0.05599629385288897,
"volume": 160.7249226822834,
"volume_molar": 10.754534533698083,
"formula_full": "Hf3 Co3 Sn3",
"formula_reduced": "HfCoSn",
"formula_anonymous": "ABC",
"energy": -65.54981947,
"energy_per_atom": -7.283313274444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.54981947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6561662,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.347000Z",
"spacegroup": 189
},
{
"id": "mp-756414",
"created_at": "2022-09-04T14:44:22.241298Z",
"structure_string": "Li2 Cr3 Co1 O8\n1.0\n5.014295 -2.985811 0.000000\n5.014295 2.985811 0.000000\n3.236365 0.000000 4.856353\nLi Cr Co O\n2 3 1 8\ndirect\n0.875727 0.875727 0.875727 Li\n0.124273 0.124273 0.124273 Li\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Co\n0.735302 0.735302 0.735302 O\n0.731513 0.731513 0.291097 O\n0.731513 0.291097 0.731513 O\n0.291097 0.731513 0.731513 O\n0.708903 0.268487 0.268487 O\n0.268487 0.708903 0.268487 O\n0.268487 0.268487 0.708903 O\n0.264698 0.264698 0.264698 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.074364858107337,
"density_atomic": 0.09627545910233413,
"volume": 145.41608142443621,
"volume_molar": 6.255115079325544,
"formula_full": "Li2 Cr3 Co1 O8",
"formula_reduced": "Li2Cr3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -108.26199476,
"energy_per_atom": -7.732999625714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.13099476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9955598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.223000Z",
"spacegroup": 166
},
{
"id": "mp-759008",
"created_at": "2022-09-04T14:44:22.205254Z",
"structure_string": "Li4 Mn8 C8 O32\n1.0\n6.407334 0.000000 0.124382\n0.000000 9.248582 0.000000\n0.107683 0.000000 9.344738\nLi Mn C O\n4 8 8 32\ndirect\n0.126032 0.317622 0.899023 Li\n0.373968 0.817622 0.600977 Li\n0.626032 0.182378 0.399023 Li\n0.873968 0.682378 0.100977 Li\n0.124719 0.948071 0.877272 Mn\n0.127611 0.570138 0.384636 Mn\n0.375281 0.448071 0.622728 Mn\n0.372389 0.070138 0.115364 Mn\n0.627611 0.929862 0.884636 Mn\n0.624719 0.551929 0.377272 Mn\n0.872389 0.429862 0.615364 Mn\n0.875281 0.051929 0.122728 Mn\n0.135397 0.640219 0.839513 C\n0.120730 0.866286 0.332406 C\n0.364603 0.140219 0.660487 C\n0.379270 0.366286 0.167594 C\n0.620730 0.633714 0.832406 C\n0.635397 0.859781 0.339513 C\n0.879270 0.133714 0.667594 C\n0.864603 0.359781 0.160487 C\n0.150520 0.519274 0.757775 O\n0.147807 0.762731 0.768495 O\n0.104883 0.628239 0.969459 O\n0.104242 0.115399 0.999298 O\n0.110380 0.985752 0.249541 O\n0.096850 0.742440 0.265202 O\n0.155155 0.874586 0.461416 O\n0.141924 0.400646 0.505648 O\n0.395758 0.615399 0.500702 O\n0.395117 0.128239 0.530541 O\n0.352193 0.262731 0.731505 O\n0.349481 0.019274 0.742225 O\n0.358076 0.900646 0.994352 O\n0.344845 0.374586 0.038584 O\n0.403150 0.242440 0.234798 O\n0.389620 0.485752 0.250459 O\n0.610380 0.514248 0.749541 O\n0.596850 0.757560 0.765202 O\n0.655155 0.625414 0.961416 O\n0.641924 0.099354 0.005648 O\n0.650519 0.980726 0.257775 O\n0.647807 0.737269 0.268495 O\n0.604883 0.871761 0.469459 O\n0.604242 0.384601 0.499298 O\n0.858076 0.599354 0.494352 O\n0.844845 0.125414 0.538584 O\n0.903150 0.257560 0.734798 O\n0.889620 0.014248 0.750459 O\n0.895758 0.884601 0.000702 O\n0.895117 0.371761 0.030541 O\n0.852193 0.237269 0.231505 O\n0.849481 0.480726 0.242225 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 3.225301353912383,
"density_atomic": 0.09392492577626173,
"volume": 553.63365549917,
"volume_molar": 6.411653467094904,
"formula_full": "Li4 Mn8 C8 O32",
"formula_reduced": "LiMn2(CO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -410.4258406400001,
"energy_per_atom": -7.89280462769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.09784064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0021549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.020000Z",
"spacegroup": 14
},
{
"id": "mp-1099761",
"created_at": "2022-09-04T14:44:22.274871Z",
"structure_string": "Sr4 Cu4 O10\n1.0\n-2.759173 2.764489 7.953017\n2.759173 -2.764489 7.953017\n2.759173 2.764489 -7.953017\nSr Cu O\n4 4 10\ndirect\n0.386312 0.885384 0.490410 Sr\n0.605026 0.114616 0.500929 Sr\n0.886312 0.395902 0.500929 Sr\n0.105026 0.604098 0.490410 Sr\n0.994775 0.000000 0.994775 Cu\n0.494775 0.500000 0.994775 Cu\n0.775825 0.806430 0.082255 Cu\n0.275825 0.193570 0.969395 Cu\n0.752186 0.752371 0.495453 O\n0.743081 0.247629 0.999815 O\n0.252186 0.756734 0.999815 O\n0.243081 0.243266 0.495453 O\n0.850689 0.829752 0.957250 O\n0.127499 0.170248 0.020937 O\n0.350689 0.393438 0.020937 O\n0.627499 0.606562 0.957250 O\n0.100607 0.889105 0.489712 O\n0.600607 0.110895 0.211502 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.232757804853412,
"density_atomic": 0.07417999593866874,
"volume": 242.65301948630753,
"volume_molar": 8.118281328808706,
"formula_full": "Sr4 Cu4 O10",
"formula_reduced": "Sr2Cu2O5",
"formula_anonymous": "A2B2C5",
"energy": -106.96505831000002,
"energy_per_atom": -5.942503239444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.09505830999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.018000Z",
"spacegroup": 46
},
{
"id": "mp-1521896",
"created_at": "2022-09-04T14:44:22.353601Z",
"structure_string": "Ba1 La1 Eu1 W1 O6\n1.0\n0.000000 -4.343473 -4.343473\n4.343473 -0.000000 -4.343473\n4.343473 -4.343473 -0.000000\nBa La Eu W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n-0.000000 -0.000000 -0.000000 La\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 W\n0.729413 0.270587 0.270587 O\n0.270587 0.729413 0.729413 O\n0.729413 0.270587 0.729413 O\n0.270587 0.729413 0.270587 O\n0.729413 0.729413 0.270587 O\n0.270587 0.270587 0.729413 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-La-O-W",
"density": 7.173996215911715,
"density_atomic": 0.061018092336387816,
"volume": 163.88581840400397,
"volume_molar": 9.869434669967106,
"formula_full": "Ba1 La1 Eu1 W1 O6",
"formula_reduced": "BaLaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -88.98885559,
"energy_per_atom": -8.898885559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.42885559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.768000Z",
"spacegroup": 216
},
{
"id": "mp-433",
"created_at": "2022-09-04T14:44:22.204344Z",
"structure_string": "Dy8 Al8\n1.0\n5.632141 0.000000 0.000000\n0.000000 5.852481 0.000000\n0.000000 0.000000 11.439203\nDy Al\n8 8\ndirect\n0.750000 0.163679 0.482441 Dy\n0.250000 0.836321 0.517559 Dy\n0.250000 0.163679 0.017559 Dy\n0.750000 0.836321 0.982441 Dy\n0.750000 0.400742 0.168322 Dy\n0.250000 0.599258 0.831678 Dy\n0.250000 0.400742 0.331678 Dy\n0.750000 0.599258 0.668322 Dy\n0.750000 0.662963 0.401378 Al\n0.250000 0.337037 0.598622 Al\n0.250000 0.662963 0.098622 Al\n0.750000 0.337037 0.901378 Al\n0.500000 0.931654 0.250000 Al\n0.000000 0.068346 0.750000 Al\n0.500000 0.068346 0.750000 Al\n0.000000 0.931654 0.250000 Al\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 6.67569811103477,
"density_atomic": 0.04243367877086728,
"volume": 377.0589886018733,
"volume_molar": 14.19188940114823,
"formula_full": "Dy8 Al8",
"formula_reduced": "DyAl",
"formula_anonymous": "AB",
"energy": -73.46891809,
"energy_per_atom": -4.591807380625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.46891809,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.018000Z",
"spacegroup": 57
}
]
}