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_per_atom&page=105",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=103",
"results": [
{
"id": "mp-690517",
"created_at": "2022-09-04T14:46:07.164940Z",
"structure_string": "La4 Ni2 O8\n1.0\n1.982665 -6.794103 0.000000\n1.982665 6.794103 0.000000\n0.000000 0.000000 7.343202\nLa Ni O\n4 2 8\ndirect\n0.283623 0.716377 0.144432 La\n0.716377 0.283623 0.644432 La\n0.053063 0.946937 0.347749 La\n0.946937 0.053063 0.847749 La\n0.609540 0.390460 0.037208 Ni\n0.390460 0.609540 0.537208 Ni\n0.543201 0.456799 0.635690 O\n0.766195 0.233805 0.983308 O\n0.353486 0.646514 0.792531 O\n0.233805 0.766195 0.483308 O\n0.646514 0.353486 0.292531 O\n0.897594 0.102406 0.496382 O\n0.456799 0.543201 0.135690 O\n0.102406 0.897594 0.996382 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Ni",
"O"
],
"chemical_system": "La-Ni-O",
"density": 6.723366405882317,
"density_atomic": 0.07076705102574417,
"volume": 197.83218033074425,
"volume_molar": 8.509808834353182,
"formula_full": "La4 Ni2 O8",
"formula_reduced": "La2NiO4",
"formula_anonymous": "AB2C4",
"energy": -111.78210397,
"energy_per_atom": -7.984435997857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.20410397,
"band_gap": 1.9125,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9993233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.277000Z",
"spacegroup": 36
},
{
"id": "mp-571021",
"created_at": "2022-09-04T14:46:07.165148Z",
"structure_string": "K5 In1 Pb8\n1.0\n13.137637 -3.534023 0.000000\n13.137637 3.534023 0.000000\n12.186985 0.000000 6.046836\nK In Pb\n5 1 8\ndirect\n0.318079 0.318079 0.318079 K\n0.500000 0.500000 0.500000 K\n0.780171 0.780171 0.780171 K\n0.681921 0.681921 0.681921 K\n0.219829 0.219829 0.219829 K\n0.000000 0.000000 0.000000 In\n0.775876 0.775876 0.250487 Pb\n0.871580 0.871580 0.871580 Pb\n0.224124 0.749513 0.224124 Pb\n0.250487 0.775876 0.775876 Pb\n0.128420 0.128420 0.128420 Pb\n0.775876 0.250487 0.775876 Pb\n0.749512 0.224124 0.224124 Pb\n0.224124 0.224124 0.749513 Pb\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"In",
"Pb"
],
"chemical_system": "In-K-Pb",
"density": 5.819818015027112,
"density_atomic": 0.02493349852453294,
"volume": 561.4936061309211,
"volume_molar": 24.152810942574327,
"formula_full": "K5 In1 Pb8",
"formula_reduced": "K5InPb8",
"formula_anonymous": "AB5C8",
"energy": -41.00643949,
"energy_per_atom": -2.929031392142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.00643949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077054,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.009000Z",
"spacegroup": 166
},
{
"id": "mp-17532",
"created_at": "2022-09-04T14:46:07.694242Z",
"structure_string": "Y6 Si24 Os8\n1.0\n4.087390 -9.289036 0.000000\n4.087390 9.289036 0.000000\n0.000000 0.000000 8.178662\nY Si Os\n6 24 8\ndirect\n0.501548 0.001548 0.750000 Y\n0.998452 0.498452 0.250000 Y\n0.498452 0.998452 0.250000 Y\n0.001548 0.501548 0.750000 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.795122 0.204878 0.500000 Si\n0.704878 0.295122 0.000000 Si\n0.204878 0.795122 0.500000 Si\n0.295122 0.704878 0.000000 Si\n0.667322 0.667322 0.166966 Si\n0.167322 0.167322 0.333034 Si\n0.832678 0.832678 0.666966 Si\n0.332678 0.332678 0.833034 Si\n0.845120 0.610664 0.994948 Si\n0.110664 0.345120 0.505052 Si\n0.654880 0.889336 0.494948 Si\n0.389336 0.154880 0.005052 Si\n0.154880 0.389336 0.005052 Si\n0.889336 0.654880 0.494948 Si\n0.120743 0.886397 0.727826 Si\n0.386397 0.620743 0.772174 Si\n0.379257 0.613603 0.227826 Si\n0.113603 0.879257 0.272174 Si\n0.879257 0.113603 0.272174 Si\n0.613603 0.379257 0.227826 Si\n0.620743 0.386397 0.772174 Si\n0.886397 0.120743 0.727826 Si\n0.610664 0.845120 0.994948 Si\n0.345120 0.110664 0.505052 Si\n0.627144 0.627144 0.872615 Os\n0.127144 0.127144 0.627385 Os\n0.372856 0.372856 0.127385 Os\n0.872856 0.872856 0.372615 Os\n0.168925 0.831075 0.000000 Os\n0.331075 0.668925 0.500000 Os\n0.831075 0.168925 0.000000 Os\n0.668925 0.331075 0.500000 Os\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Y",
"Si",
"Os"
],
"chemical_system": "Os-Si-Y",
"density": 7.297526902231064,
"density_atomic": 0.06118635983102769,
"volume": 621.0534521900116,
"volume_molar": 9.842292917295213,
"formula_full": "Y6 Si24 Os8",
"formula_reduced": "Y3(Si3Os)4",
"formula_anonymous": "A3B4C12",
"energy": -278.55460528,
"energy_per_atom": -7.330384349473683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -280.25860528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.443000Z",
"spacegroup": 64
},
{
"id": "mp-13513",
"created_at": "2022-09-04T14:46:07.959608Z",
"structure_string": "Sr2 Ni2 Ge4\n1.0\n2.217416 -8.677085 0.000000\n2.217416 8.677085 0.000000\n0.000000 0.000000 4.206056\nSr Ni Ge\n2 2 4\ndirect\n0.892102 0.107898 0.750000 Sr\n0.107898 0.892102 0.250000 Sr\n0.681316 0.318684 0.750000 Ni\n0.318684 0.681316 0.250000 Ni\n0.543617 0.456383 0.750000 Ge\n0.456383 0.543617 0.250000 Ge\n0.250401 0.749599 0.750000 Ge\n0.749599 0.250401 0.250000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Sr",
"density": 5.9831612561375325,
"density_atomic": 0.0494269613601547,
"volume": 161.85498318836892,
"volume_molar": 12.183918643347392,
"formula_full": "Sr2 Ni2 Ge4",
"formula_reduced": "SrNiGe2",
"formula_anonymous": "ABC2",
"energy": -37.58776409,
"energy_per_atom": -4.69847051125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.58776409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.858000Z",
"spacegroup": 63
},
{
"id": "mp-375",
"created_at": "2022-09-04T14:46:07.972492Z",
"structure_string": "U1 O3\n1.0\n4.164797 0.000000 0.000000\n0.000000 4.164797 0.000000\n0.000000 0.000000 4.164797\nU O\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 6.574682449868611,
"density_atomic": 0.055370504116330994,
"volume": 72.2406281798731,
"volume_molar": 10.876080787250459,
"formula_full": "U1 O3",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy": -40.58400363,
"energy_per_atom": -10.1460009075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.52300363,
"band_gap": 1.6349999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.278000Z",
"spacegroup": 221
},
{
"id": "mp-766078",
"created_at": "2022-09-04T14:46:07.162848Z",
"structure_string": "Li2 V6 Fe4 Cu2 O24\n1.0\n6.715199 0.000000 0.000000\n-1.778491 8.044844 0.000000\n-2.325710 -3.507800 9.032747\nLi V Fe Cu O\n2 6 4 2 24\ndirect\n0.056989 0.011385 0.020168 Li\n0.600890 0.957173 0.922841 Li\n0.221245 0.163263 0.764069 V\n0.409440 0.228430 0.375290 V\n0.882045 0.392302 0.160617 V\n0.117077 0.603067 0.835482 V\n0.586686 0.770654 0.623187 V\n0.774722 0.837539 0.233702 V\n0.956032 0.296027 0.485968 Fe\n0.621191 0.552776 0.893564 Fe\n0.377940 0.444877 0.106402 Fe\n0.044580 0.704174 0.512456 Fe\n0.720839 0.214897 0.705221 Cu\n0.267980 0.780085 0.284591 Cu\n0.817043 0.056286 0.321843 O\n0.223081 0.198899 0.946846 O\n0.998402 0.216059 0.664308 O\n0.303106 0.006097 0.261129 O\n0.479331 0.278304 0.763467 O\n0.660718 0.271144 0.509141 O\n0.834485 0.174225 0.068705 O\n0.874302 0.492725 0.852205 O\n0.233952 0.285811 0.468656 O\n0.917819 0.437888 0.351987 O\n0.330959 0.529767 0.921938 O\n0.432478 0.348227 0.258719 O\n0.558790 0.662630 0.747613 O\n0.668787 0.467060 0.076742 O\n0.079016 0.558202 0.643081 O\n0.769230 0.718496 0.535865 O\n0.123931 0.510125 0.147718 O\n0.176285 0.821435 0.922992 O\n0.338004 0.725892 0.489012 O\n0.518659 0.722886 0.234999 O\n0.676606 0.993932 0.741999 O\n0.994464 0.779130 0.331892 O\n0.765951 0.806361 0.048490 O\n0.185943 0.943867 0.679197 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O-V",
"density": 3.586647127393425,
"density_atomic": 0.07787305924114646,
"volume": 487.97363774199346,
"volume_molar": 7.733278772767193,
"formula_full": "Li2 V6 Fe4 Cu2 O24",
"formula_reduced": "LiV3Fe2CuO12",
"formula_anonymous": "ABC2D3E12",
"energy": -296.60427994,
"energy_per_atom": -7.805375787894738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.89227994,
"band_gap": 0.7355,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0049671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.053000Z",
"spacegroup": 1
},
{
"id": "mp-1648759",
"created_at": "2022-09-04T14:46:07.164918Z",
"structure_string": "Zn4 Cr4 Ge8 O24\n1.0\n1.411653 6.692448 0.561168\n-5.185039 -0.226224 5.914279\n5.351525 -0.254268 8.512539\nZn Cr Ge O\n4 4 8 24\ndirect\n0.251917 0.005870 0.755959 Zn\n0.250678 0.505375 0.256405 Zn\n0.749136 0.994003 0.243517 Zn\n0.748182 0.494799 0.744111 Zn\n0.905002 0.174860 0.924051 Cr\n0.094887 0.824303 0.075367 Cr\n0.905388 0.675706 0.424534 Cr\n0.094718 0.325143 0.576032 Cr\n0.389533 0.731369 0.483515 Ge\n0.388863 0.231208 0.983582 Ge\n0.788401 0.927469 0.683749 Ge\n0.788332 0.426540 0.182758 Ge\n0.611158 0.269056 0.516335 Ge\n0.610460 0.768364 0.016602 Ge\n0.211805 0.073149 0.317029 Ge\n0.211361 0.572754 0.816505 Ge\n0.308904 0.944121 0.463250 O\n0.307259 0.443658 0.963179 O\n0.588482 0.865528 0.836536 O\n0.589246 0.364404 0.336029 O\n0.692549 0.056571 0.537047 O\n0.691355 0.555681 0.036493 O\n0.410921 0.135519 0.163787 O\n0.411407 0.634559 0.663658 O\n0.143456 0.260211 0.360874 O\n0.143790 0.760466 0.859493 O\n0.373812 0.238211 0.622046 O\n0.373390 0.737632 0.122545 O\n0.856555 0.740014 0.640543 O\n0.856248 0.239296 0.139064 O\n0.626771 0.761879 0.377751 O\n0.626036 0.262300 0.877673 O\n0.201719 0.587086 0.443772 O\n0.202201 0.086163 0.943692 O\n0.976304 0.076385 0.713937 O\n0.976355 0.575318 0.212600 O\n0.797823 0.414012 0.556311 O\n0.798237 0.912733 0.056243 O\n0.023800 0.924339 0.287024 O\n0.023558 0.423944 0.786402 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"Ge",
"O"
],
"chemical_system": "Cr-Ge-O-Zn",
"density": 4.6894996283523955,
"density_atomic": 0.07873510862886778,
"volume": 508.0325752587357,
"volume_molar": 7.6486091971835,
"formula_full": "Zn4 Cr4 Ge8 O24",
"formula_reduced": "ZnCr(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -279.62130837,
"energy_per_atom": -6.99053270925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.13730837,
"band_gap": 0.5417000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.835000Z",
"spacegroup": 2
},
{
"id": "mp-1004762",
"created_at": "2022-09-04T14:46:07.269426Z",
"structure_string": "Li2 Mn8 O16\n1.0\n2.956791 -4.881028 0.000000\n2.956791 4.881028 0.000000\n0.000000 0.000000 9.489083\nLi Mn O\n2 8 16\ndirect\n0.873395 0.126605 0.075019 Li\n0.126605 0.873395 0.575019 Li\n0.375169 0.134954 0.863549 Mn\n0.865046 0.624831 0.863549 Mn\n0.617555 0.382445 0.138888 Mn\n0.145072 0.854928 0.139804 Mn\n0.854928 0.145072 0.639804 Mn\n0.382445 0.617555 0.638888 Mn\n0.134954 0.375169 0.363549 Mn\n0.624831 0.865046 0.363549 Mn\n0.722030 0.277970 0.788028 O\n0.220841 0.779159 0.776746 O\n0.268263 0.233677 0.216776 O\n0.766323 0.731737 0.216776 O\n0.233677 0.268263 0.716776 O\n0.731737 0.766323 0.716776 O\n0.779159 0.220841 0.276746 O\n0.277970 0.722030 0.288028 O\n0.033849 0.966151 0.963108 O\n0.521160 0.478840 0.959822 O\n0.955408 0.502002 0.038537 O\n0.497998 0.044592 0.038537 O\n0.966151 0.033849 0.463108 O\n0.478840 0.521160 0.459822 O\n0.044592 0.497998 0.538537 O\n0.502002 0.955408 0.538537 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.300707300929174,
"density_atomic": 0.09492643701921419,
"volume": 273.8963013510905,
"volume_molar": 6.344008001460174,
"formula_full": "Li2 Mn8 O16",
"formula_reduced": "LiMn4O8",
"formula_anonymous": "AB4C8",
"energy": -205.99082714,
"energy_per_atom": -7.922724120769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.65482714,
"band_gap": 0.0019,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.501000Z",
"spacegroup": 36
},
{
"id": "mp-733869",
"created_at": "2022-09-04T14:46:07.294051Z",
"structure_string": "Sr8 S16 O64\n1.0\n7.417787 0.000000 0.000000\n0.000000 13.184051 0.000000\n0.000000 0.000000 14.455337\nSr S O\n8 16 64\ndirect\n0.650031 0.432830 0.309631 Sr\n0.849969 0.932830 0.690369 Sr\n0.150031 0.567170 0.190369 Sr\n0.349969 0.067170 0.809631 Sr\n0.349969 0.567170 0.690369 Sr\n0.150031 0.067170 0.309631 Sr\n0.849969 0.432830 0.809631 Sr\n0.650031 0.932830 0.190369 Sr\n0.664221 0.132367 0.335384 S\n0.835779 0.632367 0.664616 S\n0.164221 0.867633 0.164616 S\n0.335779 0.367633 0.835384 S\n0.335779 0.867633 0.664616 S\n0.164221 0.367633 0.335384 S\n0.835779 0.132367 0.835384 S\n0.664221 0.632367 0.164616 S\n0.854598 0.355052 0.073368 S\n0.645402 0.855052 0.926632 S\n0.354598 0.644948 0.426632 S\n0.145402 0.144948 0.573368 S\n0.145402 0.644948 0.926632 S\n0.354598 0.144948 0.073368 S\n0.645402 0.355052 0.573368 S\n0.854598 0.855052 0.426632 S\n0.622608 0.240341 0.318618 O\n0.877392 0.740341 0.681382 O\n0.122608 0.759659 0.181382 O\n0.377392 0.259659 0.818618 O\n0.377392 0.759659 0.681382 O\n0.122608 0.259659 0.318618 O\n0.877392 0.240341 0.818618 O\n0.622608 0.740341 0.181382 O\n0.001058 0.430964 0.319931 O\n0.498942 0.930964 0.680069 O\n0.501058 0.569036 0.180069 O\n0.998942 0.069036 0.819931 O\n0.998942 0.569036 0.680069 O\n0.501058 0.069036 0.319931 O\n0.498942 0.430964 0.819931 O\n0.001058 0.930964 0.180069 O\n0.805931 0.094445 0.270170 O\n0.694069 0.594445 0.729830 O\n0.305931 0.905555 0.229830 O\n0.194069 0.405555 0.770170 O\n0.194069 0.905555 0.729830 O\n0.305931 0.405555 0.270170 O\n0.694069 0.094445 0.770170 O\n0.805931 0.594445 0.229830 O\n0.734933 0.122520 0.430957 O\n0.765067 0.622520 0.569043 O\n0.234933 0.877480 0.069043 O\n0.265067 0.377480 0.930957 O\n0.265067 0.877480 0.569043 O\n0.234933 0.377480 0.430957 O\n0.765067 0.122520 0.930957 O\n0.734933 0.622520 0.069043 O\n0.707081 0.362495 0.142501 O\n0.792919 0.862495 0.857499 O\n0.207081 0.637505 0.357499 O\n0.292919 0.137505 0.642501 O\n0.292919 0.637505 0.857499 O\n0.207081 0.137505 0.142501 O\n0.792919 0.362495 0.642501 O\n0.707081 0.862495 0.357499 O\n0.011540 0.414265 0.105222 O\n0.488460 0.914265 0.894778 O\n0.511540 0.585735 0.394778 O\n0.988460 0.085735 0.605222 O\n0.988460 0.585735 0.894778 O\n0.511540 0.085735 0.105222 O\n0.488460 0.414265 0.605222 O\n0.011540 0.914265 0.394778 O\n0.706298 0.388550 0.481225 O\n0.793702 0.888550 0.518775 O\n0.206298 0.611450 0.018775 O\n0.293702 0.111450 0.981225 O\n0.293702 0.611450 0.518775 O\n0.206298 0.111450 0.481225 O\n0.793702 0.388550 0.981225 O\n0.706298 0.888550 0.018775 O\n0.905296 0.245374 0.066395 O\n0.594704 0.745374 0.933605 O\n0.405296 0.754626 0.433605 O\n0.094704 0.254626 0.566395 O\n0.094704 0.754626 0.933605 O\n0.405296 0.254626 0.066395 O\n0.594704 0.245374 0.566395 O\n0.905296 0.745374 0.433605 O\n",
"nsites": 88,
"nelements": 3,
"elements": [
"Sr",
"S",
"O"
],
"chemical_system": "O-S-Sr",
"density": 2.628755982913052,
"density_atomic": 0.062248833631790096,
"volume": 1413.681106388778,
"volume_molar": 9.674302968665634,
"formula_full": "Sr8 S16 O64",
"formula_reduced": "Sr(SO4)2",
"formula_anonymous": "AB2C8",
"energy": -569.9342901399999,
"energy_per_atom": -6.476526024318181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -525.96629014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0198341,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.588000Z",
"spacegroup": 61
},
{
"id": "mp-20668",
"created_at": "2022-09-04T14:46:07.299457Z",
"structure_string": "Dy1 Mn6 Ge6\n1.0\n2.588770 -4.483881 0.000000\n2.588770 4.483881 0.000000\n0.000000 0.000000 8.142519\nDy Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.749159 Mn\n0.500000 0.000000 0.250841 Mn\n0.500000 0.500000 0.250841 Mn\n0.000000 0.500000 0.250841 Mn\n0.500000 0.000000 0.749159 Mn\n0.500000 0.500000 0.749159 Mn\n0.000000 0.000000 0.655558 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.344442 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"Ge"
],
"chemical_system": "Dy-Ge-Mn",
"density": 8.15165709651371,
"density_atomic": 0.06877126781851062,
"volume": 189.03243189157686,
"volume_molar": 8.756768561970684,
"formula_full": "Dy1 Mn6 Ge6",
"formula_reduced": "Dy(MnGe)6",
"formula_anonymous": "AB6C6",
"energy": -91.48122261,
"energy_per_atom": -7.037017123846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.48122261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.5913972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.785000Z",
"spacegroup": 191
},
{
"id": "mp-1114133",
"created_at": "2022-09-04T14:46:07.343978Z",
"structure_string": "Na3 Ru1 F6\n1.0\n0.000000 4.182254 4.182254\n4.182254 0.000000 4.182254\n4.182254 4.182254 0.000000\nNa Ru F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ru\n0.239896 0.239896 0.760104 F\n0.239896 0.760104 0.760104 F\n0.760104 0.760104 0.239896 F\n0.239896 0.760104 0.239896 F\n0.760104 0.239896 0.760104 F\n0.760104 0.239896 0.239896 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ru",
"F"
],
"chemical_system": "F-Na-Ru",
"density": 3.2236782020798413,
"density_atomic": 0.06835004246525013,
"volume": 146.30568817984428,
"volume_molar": 8.810734482076905,
"formula_full": "Na3 Ru1 F6",
"formula_reduced": "Na3RuF6",
"formula_anonymous": "AB3C6",
"energy": -49.46720843999999,
"energy_per_atom": -4.946720844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.69520844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.408000Z",
"spacegroup": 225
},
{
"id": "mp-865907",
"created_at": "2022-09-04T14:46:07.367490Z",
"structure_string": "Li1 Zn3\n1.0\n0.000000 3.068713 3.068713\n3.068713 0.000000 3.068713\n3.068713 3.068713 0.000000\nLi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Zn"
],
"chemical_system": "Li-Zn",
"density": 5.837213628709853,
"density_atomic": 0.06920877722954219,
"volume": 57.79613742825347,
"volume_molar": 8.701411874431171,
"formula_full": "Li1 Zn3",
"formula_reduced": "LiZn3",
"formula_anonymous": "AB3",
"energy": -6.36570007,
"energy_per_atom": -1.5914250175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36570007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.796000Z",
"spacegroup": 225
}
]
}