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=spacegroup&page=10139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10137",
"results": [
{
"id": "mp-1188521",
"created_at": "2022-09-04T14:48:25.088293Z",
"structure_string": "La10 Co2 Pb6\n1.0\n4.838182 -8.379977 0.000000\n4.838182 8.379977 0.000000\n0.000000 0.000000 7.188358\nLa Co Pb\n10 2 6\ndirect\n0.769255 0.769255 0.250000 La\n0.230745 0.000000 0.250000 La\n0.000000 0.230745 0.250000 La\n0.230745 0.230745 0.750000 La\n0.769255 0.000000 0.750000 La\n0.000000 0.769255 0.750000 La\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.404444 0.404444 0.250000 Pb\n0.595556 0.000000 0.250000 Pb\n0.000000 0.595556 0.250000 Pb\n0.595556 0.595556 0.750000 Pb\n0.404444 0.000000 0.750000 Pb\n0.000000 0.404444 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Co",
"Pb"
],
"chemical_system": "Co-La-Pb",
"density": 7.8345885284765915,
"density_atomic": 0.03088074600986013,
"volume": 582.8874728043374,
"volume_molar": 19.501280047046624,
"formula_full": "La10 Co2 Pb6",
"formula_reduced": "La5CoPb3",
"formula_anonymous": "AB3C5",
"energy": -94.75011588,
"energy_per_atom": -5.263895326666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.75011588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:22.135000Z",
"spacegroup": 193
},
{
"id": "mp-1201665",
"created_at": "2022-09-04T14:48:25.448868Z",
"structure_string": "Er12 Al86 Cr8\n1.0\n5.443891 -9.429096 0.000000\n5.443891 9.429096 0.000000\n0.000000 0.000000 17.395343\nEr Al Cr\n12 86 8\ndirect\n0.469679 0.469679 0.904754 Er\n0.530321 0.000000 0.904754 Er\n0.000000 0.530321 0.904754 Er\n0.530321 0.530321 0.095246 Er\n0.469679 0.000000 0.095246 Er\n0.000000 0.469679 0.095246 Er\n0.530321 0.530321 0.404754 Er\n0.469679 0.000000 0.404754 Er\n0.000000 0.469679 0.404754 Er\n0.469679 0.469679 0.595246 Er\n0.530321 0.000000 0.595246 Er\n0.000000 0.530321 0.595246 Er\n0.841139 0.231909 0.834877 Al\n0.768091 0.609230 0.834877 Al\n0.390770 0.158861 0.834877 Al\n0.231909 0.841139 0.834877 Al\n0.609230 0.768091 0.834877 Al\n0.158861 0.390770 0.834877 Al\n0.158861 0.768091 0.165123 Al\n0.231909 0.390770 0.165123 Al\n0.609230 0.841139 0.165123 Al\n0.768091 0.158861 0.165123 Al\n0.390770 0.231909 0.165123 Al\n0.841139 0.609230 0.165123 Al\n0.158861 0.768091 0.334877 Al\n0.231909 0.390770 0.334877 Al\n0.609230 0.841139 0.334877 Al\n0.768091 0.158861 0.334877 Al\n0.390770 0.231909 0.334877 Al\n0.841139 0.609230 0.334877 Al\n0.841139 0.231909 0.665123 Al\n0.768091 0.609230 0.665123 Al\n0.390770 0.158861 0.665123 Al\n0.231909 0.841139 0.665123 Al\n0.609230 0.768091 0.665123 Al\n0.158861 0.390770 0.665123 Al\n0.844919 0.844919 0.384093 Al\n0.155081 0.000000 0.384093 Al\n0.000000 0.155081 0.384093 Al\n0.155081 0.155081 0.615907 Al\n0.844919 0.000000 0.615907 Al\n0.000000 0.844919 0.615907 Al\n0.155081 0.155081 0.884093 Al\n0.844919 0.000000 0.884093 Al\n0.000000 0.844919 0.884093 Al\n0.844919 0.844919 0.115907 Al\n0.155081 0.000000 0.115907 Al\n0.000000 0.155081 0.115907 Al\n0.748080 0.748080 0.969361 Al\n0.251920 0.000000 0.969361 Al\n0.000000 0.251920 0.969361 Al\n0.251920 0.251920 0.030639 Al\n0.748080 0.000000 0.030639 Al\n0.000000 0.748080 0.030639 Al\n0.251920 0.251920 0.469361 Al\n0.748080 0.000000 0.469361 Al\n0.000000 0.748080 0.469361 Al\n0.748080 0.748080 0.530639 Al\n0.251920 0.000000 0.530639 Al\n0.000000 0.251920 0.530639 Al\n0.855520 0.451717 0.750000 Al\n0.548283 0.403803 0.750000 Al\n0.596197 0.144480 0.750000 Al\n0.451717 0.855520 0.750000 Al\n0.403803 0.548283 0.750000 Al\n0.144480 0.596197 0.750000 Al\n0.144480 0.548283 0.250000 Al\n0.451717 0.596197 0.250000 Al\n0.403803 0.855520 0.250000 Al\n0.548283 0.144480 0.250000 Al\n0.596197 0.451717 0.250000 Al\n0.855520 0.403803 0.250000 Al\n0.753262 0.246738 0.000000 Al\n0.753262 0.506524 0.000000 Al\n0.493476 0.246738 0.000000 Al\n0.246738 0.753262 0.000000 Al\n0.506524 0.753262 0.000000 Al\n0.246738 0.493476 0.000000 Al\n0.246738 0.753262 0.500000 Al\n0.246738 0.493476 0.500000 Al\n0.506524 0.753262 0.500000 Al\n0.753262 0.246738 0.500000 Al\n0.493476 0.246738 0.500000 Al\n0.753262 0.506524 0.500000 Al\n0.666667 0.333333 0.872569 Al\n0.333333 0.666667 0.872569 Al\n0.333333 0.666667 0.127431 Al\n0.666667 0.333333 0.127431 Al\n0.333333 0.666667 0.372569 Al\n0.666667 0.333333 0.372569 Al\n0.666667 0.333333 0.627431 Al\n0.333333 0.666667 0.627431 Al\n0.854768 0.854768 0.750000 Al\n0.145232 0.000000 0.750000 Al\n0.000000 0.145232 0.750000 Al\n0.145232 0.145232 0.250000 Al\n0.854768 0.000000 0.250000 Al\n0.000000 0.854768 0.250000 Al\n0.270259 0.270259 0.750000 Cr\n0.729741 0.000000 0.750000 Cr\n0.000000 0.729741 0.750000 Cr\n0.729741 0.729741 0.250000 Cr\n0.270259 0.000000 0.250000 Cr\n0.000000 0.270259 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n",
"nsites": 106,
"nelements": 3,
"elements": [
"Er",
"Al",
"Cr"
],
"chemical_system": "Al-Cr-Er",
"density": 4.410669694250791,
"density_atomic": 0.05935583168667037,
"volume": 1785.8396890057322,
"volume_molar": 10.14582828489353,
"formula_full": "Er12 Al86 Cr8",
"formula_reduced": "Er6Al43Cr4",
"formula_anonymous": "A4B6C43",
"energy": -482.21333326,
"energy_per_atom": -4.549182389245283,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -482.21333326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2017128,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.677000Z",
"spacegroup": 193
},
{
"id": "mp-23223",
"created_at": "2022-09-04T14:48:26.589226Z",
"structure_string": "Ti2 I6\n1.0\n3.872254 -6.706941 0.000000\n3.872254 6.706941 0.000000\n0.000000 0.000000 6.419591\nTi I\n2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.295883 0.000000 0.250000 I\n0.295883 0.295883 0.750000 I\n0.000000 0.704117 0.750000 I\n0.000000 0.295883 0.250000 I\n0.704117 0.704117 0.250000 I\n0.704117 0.000000 0.750000 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"I"
],
"chemical_system": "I-Ti",
"density": 4.268602662494735,
"density_atomic": 0.023991881561677125,
"volume": 333.4461275758636,
"volume_molar": 25.100743951734607,
"formula_full": "Ti2 I6",
"formula_reduced": "TiI3",
"formula_anonymous": "AB3",
"energy": -33.60727018,
"energy_per_atom": -4.2009087725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.33327018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2536466,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:29.188000Z",
"spacegroup": 193
},
{
"id": "mp-1105896",
"created_at": "2022-09-04T14:48:27.325988Z",
"structure_string": "La10 Pb6\n1.0\n4.834686 -8.373921 0.000000\n4.834686 8.373921 0.000000\n0.000000 0.000000 7.004490\nLa Pb\n10 6\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666667 0.500000 La\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 La\n0.753375 0.753375 0.250000 La\n0.246625 0.000000 0.250000 La\n0.000000 0.246625 0.250000 La\n0.246625 0.246625 0.750000 La\n0.753375 0.000000 0.750000 La\n0.000000 0.753375 0.750000 La\n0.389420 0.389420 0.250000 Pb\n0.610580 0.000000 0.250000 Pb\n0.000000 0.610580 0.250000 Pb\n0.610580 0.610580 0.750000 Pb\n0.389420 0.000000 0.750000 Pb\n0.000000 0.389420 0.750000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"La",
"Pb"
],
"chemical_system": "La-Pb",
"density": 7.706787060297851,
"density_atomic": 0.028210860598253833,
"volume": 567.1574585353256,
"volume_molar": 21.34688780239746,
"formula_full": "La10 Pb6",
"formula_reduced": "La5Pb3",
"formula_anonymous": "A3B5",
"energy": -80.47052775,
"energy_per_atom": -5.029407984375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.47052775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2469585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:41.873000Z",
"spacegroup": 193
},
{
"id": "mp-9909",
"created_at": "2022-09-04T14:48:27.135663Z",
"structure_string": "Ba10 Sb6\n1.0\n5.067710 -8.777531 0.000000\n5.067710 8.777531 0.000000\n0.000000 0.000000 7.910811\nBa Sb\n10 6\ndirect\n0.000000 0.255787 0.750000 Ba\n0.000000 0.744213 0.250000 Ba\n0.255787 0.255787 0.250000 Ba\n0.255787 0.000000 0.750000 Ba\n0.744213 0.744213 0.750000 Ba\n0.744213 0.000000 0.250000 Ba\n0.333333 0.666667 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.608882 0.000000 0.750000 Sb\n0.608882 0.608882 0.250000 Sb\n0.000000 0.391118 0.250000 Sb\n0.000000 0.608882 0.750000 Sb\n0.391118 0.391118 0.750000 Sb\n0.391118 0.000000 0.250000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 4.96391813419507,
"density_atomic": 0.022734470930118728,
"volume": 703.7770990660323,
"volume_molar": 26.489029714000697,
"formula_full": "Ba10 Sb6",
"formula_reduced": "Ba5Sb3",
"formula_anonymous": "A3B5",
"energy": -61.06709217,
"energy_per_atom": -3.816693260625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.91509217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9972564,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:22.730000Z",
"spacegroup": 193
},
{
"id": "mp-1739",
"created_at": "2022-09-04T14:48:28.083149Z",
"structure_string": "Hf10 Ge6\n1.0\n3.996713 -6.922509 0.000000\n3.996713 6.922509 0.000000\n0.000000 0.000000 5.567256\nHf Ge\n10 6\ndirect\n0.333333 0.666667 0.000000 Hf\n0.666667 0.333333 0.500000 Hf\n0.666667 0.333333 0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.252525 0.000000 0.250000 Hf\n0.252525 0.252525 0.750000 Hf\n0.000000 0.747475 0.750000 Hf\n0.000000 0.252525 0.250000 Hf\n0.747475 0.747475 0.250000 Hf\n0.747475 0.000000 0.750000 Hf\n0.610269 0.000000 0.250000 Ge\n0.610269 0.610269 0.750000 Ge\n0.000000 0.389731 0.750000 Ge\n0.000000 0.610269 0.250000 Ge\n0.389731 0.389731 0.250000 Ge\n0.389731 0.000000 0.750000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Hf",
"Ge"
],
"chemical_system": "Ge-Hf",
"density": 11.970412950712085,
"density_atomic": 0.05193765088712916,
"volume": 308.0616802398549,
"volume_molar": 11.59494250729073,
"formula_full": "Hf10 Ge6",
"formula_reduced": "Hf5Ge3",
"formula_anonymous": "A3B5",
"energy": -138.15703639,
"energy_per_atom": -8.634814774375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.15703639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073824,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:25.970000Z",
"spacegroup": 193
},
{
"id": "mp-1465",
"created_at": "2022-09-04T14:48:28.864914Z",
"structure_string": "Nd10 Ge6\n1.0\n4.662232 -8.075223 0.000000\n4.662232 8.075223 0.000000\n0.000000 0.000000 6.204041\nNd Ge\n10 6\ndirect\n0.292776 0.000000 0.250000 Nd\n0.292776 0.292776 0.750000 Nd\n0.000000 0.707224 0.750000 Nd\n0.000000 0.292776 0.250000 Nd\n0.707224 0.707224 0.250000 Nd\n0.707224 0.000000 0.750000 Nd\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.650507 0.000000 0.250000 Ge\n0.650507 0.650507 0.750000 Ge\n0.000000 0.349493 0.750000 Ge\n0.000000 0.650507 0.250000 Ge\n0.349493 0.349493 0.250000 Ge\n0.349493 0.000000 0.750000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Ge"
],
"chemical_system": "Ge-Nd",
"density": 6.676544485816877,
"density_atomic": 0.03425050052528257,
"volume": 467.14645785072065,
"volume_molar": 17.582635779452794,
"formula_full": "Nd10 Ge6",
"formula_reduced": "Nd5Ge3",
"formula_anonymous": "A3B5",
"energy": -82.25310626,
"energy_per_atom": -5.14081914125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.25310626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5149505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:25.325000Z",
"spacegroup": 193
},
{
"id": "mp-641069",
"created_at": "2022-09-04T14:48:29.225965Z",
"structure_string": "Pr10 Ni2 Pb6\n1.0\n4.707952 -8.154412 0.000000\n4.707952 8.154412 0.000000\n0.000000 0.000000 6.965272\nPr Ni Pb\n10 2 6\ndirect\n0.000000 0.761400 0.750000 Pr\n0.238600 0.000000 0.250000 Pr\n0.333333 0.666667 0.500000 Pr\n0.666667 0.333333 0.500000 Pr\n0.761400 0.761400 0.250000 Pr\n0.000000 0.238600 0.250000 Pr\n0.238600 0.238600 0.750000 Pr\n0.761400 0.000000 0.750000 Pr\n0.333333 0.666667 0.000000 Pr\n0.666667 0.333333 0.000000 Pr\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.597311 0.597311 0.750000 Pb\n0.000000 0.597311 0.250000 Pb\n0.000000 0.402689 0.750000 Pb\n0.597311 0.000000 0.250000 Pb\n0.402689 0.000000 0.750000 Pb\n0.402689 0.402689 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Pb"
],
"chemical_system": "Ni-Pb-Pr",
"density": 8.599700389113142,
"density_atomic": 0.0336573370701535,
"volume": 534.801667834915,
"volume_molar": 17.892505124359012,
"formula_full": "Pr10 Ni2 Pb6",
"formula_reduced": "Pr5NiPb3",
"formula_anonymous": "AB3C5",
"energy": -90.4533845,
"energy_per_atom": -5.025188027777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.4533845,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0097304,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.194000Z",
"spacegroup": 193
},
{
"id": "mp-1213242",
"created_at": "2022-09-04T14:48:30.916192Z",
"structure_string": "Dy12 Al86 V8\n1.0\n5.500505 -9.527155 0.000000\n5.500505 9.527155 0.000000\n0.000000 0.000000 17.680812\nDy Al V\n12 86 8\ndirect\n0.529954 0.000000 0.595735 Dy\n0.470046 0.000000 0.404265 Dy\n0.000000 0.529954 0.595735 Dy\n0.470046 0.000000 0.095735 Dy\n0.000000 0.529954 0.904265 Dy\n0.000000 0.470046 0.404265 Dy\n0.529954 0.000000 0.904265 Dy\n0.000000 0.470046 0.095735 Dy\n0.470046 0.470046 0.595735 Dy\n0.529954 0.529954 0.404265 Dy\n0.529954 0.529954 0.095735 Dy\n0.470046 0.470046 0.904265 Dy\n0.146210 0.597570 0.750000 Al\n0.853790 0.402430 0.250000 Al\n0.402430 0.548640 0.750000 Al\n0.597570 0.146210 0.750000 Al\n0.597570 0.451360 0.250000 Al\n0.402430 0.853790 0.250000 Al\n0.451360 0.853790 0.750000 Al\n0.548640 0.402430 0.750000 Al\n0.548640 0.146210 0.250000 Al\n0.451360 0.597570 0.250000 Al\n0.853790 0.451360 0.750000 Al\n0.146210 0.548640 0.250000 Al\n0.155585 0.000000 0.115712 Al\n0.844415 0.000000 0.884288 Al\n0.000000 0.155585 0.115712 Al\n0.844415 0.000000 0.615712 Al\n0.000000 0.155585 0.384288 Al\n0.000000 0.844415 0.884288 Al\n0.155585 0.000000 0.384288 Al\n0.000000 0.844415 0.615712 Al\n0.844415 0.844415 0.115712 Al\n0.155585 0.155585 0.884288 Al\n0.155585 0.155585 0.615712 Al\n0.844415 0.844415 0.384288 Al\n0.246818 0.493635 0.500000 Al\n0.753182 0.506365 0.500000 Al\n0.506365 0.753182 0.500000 Al\n0.753182 0.506365 0.000000 Al\n0.493635 0.246818 0.000000 Al\n0.493635 0.246818 0.500000 Al\n0.246818 0.493635 0.000000 Al\n0.506365 0.753182 0.000000 Al\n0.246818 0.753182 0.500000 Al\n0.753182 0.246818 0.500000 Al\n0.753182 0.246818 0.000000 Al\n0.246818 0.753182 0.000000 Al\n0.144830 0.000000 0.750000 Al\n0.855170 0.000000 0.250000 Al\n0.000000 0.144830 0.750000 Al\n0.000000 0.855170 0.250000 Al\n0.855170 0.855170 0.750000 Al\n0.144830 0.144830 0.250000 Al\n0.333333 0.666667 0.627720 Al\n0.666667 0.333333 0.372280 Al\n0.666667 0.333333 0.127720 Al\n0.666667 0.333333 0.872280 Al\n0.333333 0.666667 0.872280 Al\n0.333333 0.666667 0.127720 Al\n0.333333 0.666667 0.372280 Al\n0.666667 0.333333 0.627720 Al\n0.252925 0.000000 0.529927 Al\n0.747075 0.000000 0.470073 Al\n0.000000 0.252925 0.529927 Al\n0.747075 0.000000 0.029927 Al\n0.000000 0.252925 0.970073 Al\n0.000000 0.747075 0.470073 Al\n0.252925 0.000000 0.970073 Al\n0.000000 0.747075 0.029927 Al\n0.747075 0.747075 0.529927 Al\n0.252925 0.252925 0.470073 Al\n0.252925 0.252925 0.029927 Al\n0.747075 0.747075 0.970073 Al\n0.157572 0.391880 0.665692 Al\n0.842428 0.608120 0.334308 Al\n0.608120 0.765691 0.665692 Al\n0.842428 0.608120 0.165692 Al\n0.391880 0.157572 0.834308 Al\n0.391880 0.234309 0.334308 Al\n0.157572 0.391880 0.834308 Al\n0.608120 0.842428 0.165692 Al\n0.234309 0.842428 0.665692 Al\n0.391880 0.234309 0.165692 Al\n0.765691 0.608120 0.834308 Al\n0.765691 0.157572 0.334308 Al\n0.608120 0.765691 0.834308 Al\n0.234309 0.391880 0.165692 Al\n0.608120 0.842428 0.334308 Al\n0.391880 0.157572 0.665692 Al\n0.765691 0.157572 0.165692 Al\n0.234309 0.391880 0.334308 Al\n0.234309 0.842428 0.834308 Al\n0.765691 0.608120 0.665692 Al\n0.842428 0.234309 0.834308 Al\n0.157572 0.765691 0.165692 Al\n0.157572 0.765691 0.334308 Al\n0.842428 0.234309 0.665692 Al\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.730288 0.000000 0.750000 V\n0.269712 0.000000 0.250000 V\n0.000000 0.730288 0.750000 V\n0.000000 0.269712 0.250000 V\n0.269712 0.269712 0.750000 V\n0.730288 0.730288 0.250000 V\n",
"nsites": 106,
"nelements": 3,
"elements": [
"Dy",
"Al",
"V"
],
"chemical_system": "Al-Dy-V",
"density": 4.1918540092279954,
"density_atomic": 0.05720155941020919,
"volume": 1853.0963332632743,
"volume_molar": 10.527931095048402,
"formula_full": "Dy12 Al86 V8",
"formula_reduced": "Dy6Al43V4",
"formula_anonymous": "A4B6C43",
"energy": -483.28740517,
"energy_per_atom": -4.559315143113207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -483.28740517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5999696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.226000Z",
"spacegroup": 193
},
{
"id": "mp-1213481",
"created_at": "2022-09-04T14:48:31.206047Z",
"structure_string": "Er12 Mn8 Al86\n1.0\n5.457110 -9.451992 0.000000\n5.457110 9.451992 0.000000\n0.000000 0.000000 17.645767\nEr Mn Al\n12 8 86\ndirect\n0.531681 0.000000 0.595074 Er\n0.468319 0.000000 0.404926 Er\n0.000000 0.531681 0.595074 Er\n0.468319 0.000000 0.095074 Er\n0.000000 0.531681 0.904926 Er\n0.000000 0.468319 0.404926 Er\n0.531681 0.000000 0.904926 Er\n0.000000 0.468319 0.095074 Er\n0.468319 0.468319 0.595074 Er\n0.531681 0.531681 0.404926 Er\n0.531681 0.531681 0.095074 Er\n0.468319 0.468319 0.904926 Er\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.732256 0.000000 0.750000 Mn\n0.267744 0.000000 0.250000 Mn\n0.000000 0.732256 0.750000 Mn\n0.000000 0.267744 0.250000 Mn\n0.267744 0.267744 0.750000 Mn\n0.732256 0.732256 0.250000 Mn\n0.145191 0.597534 0.750000 Al\n0.854809 0.402466 0.250000 Al\n0.402466 0.547657 0.750000 Al\n0.597534 0.145191 0.750000 Al\n0.597534 0.452343 0.250000 Al\n0.402466 0.854809 0.250000 Al\n0.452343 0.854809 0.750000 Al\n0.547657 0.402466 0.750000 Al\n0.547657 0.145191 0.250000 Al\n0.452343 0.597534 0.250000 Al\n0.854809 0.452343 0.750000 Al\n0.145191 0.547657 0.250000 Al\n0.154802 0.000000 0.116015 Al\n0.845198 0.000000 0.883985 Al\n0.000000 0.154802 0.116015 Al\n0.845198 0.000000 0.616015 Al\n0.000000 0.154802 0.383985 Al\n0.000000 0.845198 0.883985 Al\n0.154802 0.000000 0.383985 Al\n0.000000 0.845198 0.616015 Al\n0.845198 0.845198 0.116015 Al\n0.154802 0.154802 0.883985 Al\n0.154802 0.154802 0.616015 Al\n0.845198 0.845198 0.383985 Al\n0.246159 0.492319 0.500000 Al\n0.753841 0.507681 0.500000 Al\n0.507681 0.753841 0.500000 Al\n0.753841 0.507681 0.000000 Al\n0.492319 0.246159 0.000000 Al\n0.492319 0.246159 0.500000 Al\n0.246159 0.492319 0.000000 Al\n0.507681 0.753841 0.000000 Al\n0.246159 0.753841 0.500000 Al\n0.753841 0.246159 0.500000 Al\n0.753841 0.246159 0.000000 Al\n0.246159 0.753841 0.000000 Al\n0.144568 0.000000 0.750000 Al\n0.855432 0.000000 0.250000 Al\n0.000000 0.144568 0.750000 Al\n0.000000 0.855432 0.250000 Al\n0.855432 0.855432 0.750000 Al\n0.144568 0.144568 0.250000 Al\n0.333333 0.666667 0.627433 Al\n0.666667 0.333333 0.372567 Al\n0.666667 0.333333 0.127433 Al\n0.666667 0.333333 0.872567 Al\n0.333333 0.666667 0.872567 Al\n0.333333 0.666667 0.127433 Al\n0.333333 0.666667 0.372567 Al\n0.666667 0.333333 0.627433 Al\n0.251025 0.000000 0.530711 Al\n0.748975 0.000000 0.469289 Al\n0.000000 0.251025 0.530711 Al\n0.748975 0.000000 0.030711 Al\n0.000000 0.251025 0.969289 Al\n0.000000 0.748975 0.469289 Al\n0.251025 0.000000 0.969289 Al\n0.000000 0.748975 0.030711 Al\n0.748975 0.748975 0.530711 Al\n0.251025 0.251025 0.469289 Al\n0.251025 0.251025 0.030711 Al\n0.748975 0.748975 0.969289 Al\n0.157754 0.391005 0.665623 Al\n0.842246 0.608995 0.334377 Al\n0.608995 0.766748 0.665623 Al\n0.842246 0.608995 0.165623 Al\n0.391005 0.157754 0.834377 Al\n0.391005 0.233252 0.334377 Al\n0.157754 0.391005 0.834377 Al\n0.608995 0.842246 0.165623 Al\n0.233252 0.842246 0.665623 Al\n0.391005 0.233252 0.165623 Al\n0.766748 0.608995 0.834377 Al\n0.766748 0.157754 0.334377 Al\n0.608995 0.766748 0.834377 Al\n0.233252 0.391005 0.165623 Al\n0.608995 0.842246 0.334377 Al\n0.391005 0.157754 0.665623 Al\n0.766748 0.157754 0.165623 Al\n0.233252 0.391005 0.334377 Al\n0.233252 0.842246 0.834377 Al\n0.766748 0.608995 0.665623 Al\n0.842246 0.233252 0.834377 Al\n0.157754 0.766748 0.165623 Al\n0.157754 0.766748 0.334377 Al\n0.842246 0.233252 0.665623 Al\n",
"nsites": 106,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Al"
],
"chemical_system": "Al-Er-Mn",
"density": 4.348504345030494,
"density_atomic": 0.05823033328378309,
"volume": 1820.3570892066416,
"volume_molar": 10.341930777987047,
"formula_full": "Er12 Mn8 Al86",
"formula_reduced": "Er6Mn4Al43",
"formula_anonymous": "A4B6C43",
"energy": -478.54469148,
"energy_per_atom": -4.514572561132075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -478.54469148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9107693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:02.253000Z",
"spacegroup": 193
},
{
"id": "mp-1208754",
"created_at": "2022-09-04T14:39:05.143341Z",
"structure_string": "Sr2 V10 Ni2 O22\n1.0\n2.910333 -5.040845 0.000000\n2.910333 5.040845 0.000000\n0.000000 0.000000 13.971960\nSr V Ni O\n2 10 2 22\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.150302 V\n0.000000 0.000000 0.849698 V\n0.000000 0.000000 0.650302 V\n0.000000 0.000000 0.349698 V\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.073994 O\n0.666667 0.333333 0.926006 O\n0.666667 0.333333 0.573994 O\n0.333333 0.666667 0.426006 O\n0.173856 0.347713 0.576667 O\n0.826144 0.652287 0.423333 O\n0.652287 0.826144 0.576667 O\n0.826144 0.652287 0.076667 O\n0.347713 0.173856 0.423333 O\n0.173856 0.347713 0.923333 O\n0.173856 0.826144 0.576667 O\n0.347713 0.173856 0.076667 O\n0.826144 0.173856 0.423333 O\n0.652287 0.826144 0.923333 O\n0.826144 0.173856 0.076667 O\n0.173856 0.826144 0.923333 O\n0.148164 0.296328 0.250000 O\n0.851836 0.703672 0.750000 O\n0.703672 0.851836 0.250000 O\n0.296328 0.148164 0.750000 O\n0.148164 0.851836 0.250000 O\n0.851836 0.148164 0.750000 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"V",
"Ni",
"O"
],
"chemical_system": "Ni-O-Sr-V",
"density": 4.674469309780921,
"density_atomic": 0.0878150886533523,
"volume": 409.95232769289834,
"volume_molar": 6.857751728489665,
"formula_full": "Sr2 V10 Ni2 O22",
"formula_reduced": "SrV5NiO11",
"formula_anonymous": "ABC5D11",
"energy": -300.58901311,
"energy_per_atom": -8.349694808611112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.39301311,
"band_gap": 0.1852,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9968035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.919000Z",
"spacegroup": 194
},
{
"id": "mp-16764",
"created_at": "2022-09-04T14:39:05.904620Z",
"structure_string": "Rb2 Y2 Te4\n1.0\n2.262250 -3.918331 0.000000\n2.262250 3.918331 0.000000\n0.000000 0.000000 17.167332\nRb Y Te\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Rb\n0.666667 0.333333 0.750000 Rb\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.599738 Te\n0.666667 0.333333 0.099738 Te\n0.666667 0.333333 0.400262 Te\n0.333333 0.666667 0.900262 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Y",
"Te"
],
"chemical_system": "Rb-Te-Y",
"density": 4.687510011781988,
"density_atomic": 0.026285453136723518,
"volume": 304.3508498175048,
"volume_molar": 22.91054572533293,
"formula_full": "Rb2 Y2 Te4",
"formula_reduced": "RbYTe2",
"formula_anonymous": "ABC2",
"energy": -40.28542465,
"energy_per_atom": -5.03567808125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.59742465,
"band_gap": 1.3562999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011763,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.484000Z",
"spacegroup": 194
}
]
}