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=-is_stable&page=11543",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=11541",
"results": [
{
"id": "mp-1056004",
"created_at": "2022-09-04T14:48:14.072420Z",
"structure_string": "Mo1\n1.0\n1.395051 -2.416299 0.000000\n1.395051 2.416299 0.000000\n0.000000 0.000000 2.529004\nMo\n1\ndirect\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.343907721152455,
"density_atomic": 0.05865158178515399,
"volume": 17.049838547630134,
"volume_molar": 10.267652766910263,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -9.97484359,
"energy_per_atom": -9.97484359,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.97484359,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.793000Z",
"spacegroup": 191
},
{
"id": "mp-1226286",
"created_at": "2022-09-04T14:48:14.077239Z",
"structure_string": "Cr2 Cd2 In2 S8\n1.0\n-3.739049 3.790950 5.360371\n3.739049 -3.790950 5.360371\n3.739049 3.790950 -5.360371\nCr Cd In S\n2 2 2 8\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.376480 0.626480 0.750000 Cd\n0.623520 0.373520 0.250000 Cd\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.226965 0.739877 0.012912 S\n0.226965 0.214053 0.487088 S\n0.215376 0.753641 0.461735 S\n0.791906 0.753641 0.038265 S\n0.773035 0.260123 0.987088 S\n0.773035 0.785947 0.512912 S\n0.784624 0.246359 0.538265 S\n0.208094 0.246359 0.961735 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Cd",
"In",
"S"
],
"chemical_system": "Cd-Cr-In-S",
"density": 4.452734216492502,
"density_atomic": 0.04606424764855695,
"volume": 303.9233400013769,
"volume_molar": 13.073350955268786,
"formula_full": "Cr2 Cd2 In2 S8",
"formula_reduced": "CrCdInS4",
"formula_anonymous": "ABCD4",
"energy": -72.46661603,
"energy_per_atom": -5.176186859285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.44261603,
"band_gap": 0.8689999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.585000Z",
"spacegroup": 74
},
{
"id": "mp-1519048",
"created_at": "2022-09-04T14:48:14.103193Z",
"structure_string": "Ba4 Sr4 Pr4 Bi4 O24\n1.0\n8.792389 0.000000 0.000000\n0.000000 8.799795 0.000000\n0.000000 0.000000 8.791267\nBa Sr Pr Bi O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.252599 0.250583 0.250788 Pr\n0.747401 0.749417 0.250788 Pr\n0.747401 0.250583 0.749212 Pr\n0.252599 0.749417 0.749212 Pr\n0.746502 0.749212 0.750412 Bi\n0.253498 0.250788 0.750412 Bi\n0.253498 0.749212 0.249588 Bi\n0.746502 0.250788 0.249588 Bi\n0.987237 0.214658 0.278109 O\n0.012763 0.785342 0.278109 O\n0.012763 0.214658 0.721891 O\n0.987237 0.785342 0.721891 O\n0.290960 0.987730 0.208754 O\n0.290960 0.012270 0.791246 O\n0.709040 0.012270 0.208754 O\n0.709040 0.987730 0.791246 O\n0.217990 0.281701 0.988756 O\n0.782010 0.281701 0.011244 O\n0.217990 0.718299 0.011244 O\n0.782010 0.718299 0.988756 O\n0.511526 0.299199 0.212194 O\n0.488474 0.700801 0.212194 O\n0.488474 0.299199 0.787806 O\n0.511526 0.700801 0.787806 O\n0.213044 0.512651 0.297452 O\n0.213044 0.487349 0.702548 O\n0.786956 0.487349 0.297452 O\n0.786956 0.512651 0.702548 O\n0.296031 0.209292 0.512948 O\n0.703969 0.209292 0.487052 O\n0.296031 0.790708 0.487052 O\n0.703969 0.790708 0.512948 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Pr-Sr",
"density": 6.550758430284466,
"density_atomic": 0.05880700638821069,
"volume": 680.1910598193447,
"volume_molar": 10.240515764814184,
"formula_full": "Ba4 Sr4 Pr4 Bi4 O24",
"formula_reduced": "BaSrPrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -277.28230631,
"energy_per_atom": -6.932057657750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.79430631,
"band_gap": 1.7972,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:09.336000Z",
"spacegroup": 16
},
{
"id": "mp-977363",
"created_at": "2022-09-04T14:48:14.114526Z",
"structure_string": "Ta2 Tc1 Mo1\n1.0\n0.000000 3.211877 3.211877\n3.211877 0.000000 3.211877\n3.211877 3.211877 0.000000\nTa Tc Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Tc",
"Mo"
],
"chemical_system": "Mo-Ta-Tc",
"density": 13.92800356711496,
"density_atomic": 0.06036056263521749,
"volume": 66.26843464289036,
"volume_molar": 9.97694603410865,
"formula_full": "Ta2 Tc1 Mo1",
"formula_reduced": "Ta2TcMo",
"formula_anonymous": "ABC2",
"energy": -46.3235287,
"energy_per_atom": -11.580882175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.3235287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.883000Z",
"spacegroup": 225
},
{
"id": "mp-863011",
"created_at": "2022-09-04T14:48:13.557924Z",
"structure_string": "Na12 H28 Os4\n1.0\n9.598476 0.000000 0.000000\n0.000000 9.598476 0.000000\n0.000000 0.000000 5.314971\nNa H Os\n12 28 4\ndirect\n0.701409 0.966665 0.500000 Na\n0.298591 0.033335 0.500000 Na\n0.201409 0.533335 0.000000 Na\n0.798591 0.466665 0.000000 Na\n0.966665 0.701409 0.500000 Na\n0.033335 0.298591 0.500000 Na\n0.533335 0.201409 0.000000 Na\n0.466665 0.798591 0.000000 Na\n0.384603 0.384603 0.500000 Na\n0.615397 0.615397 0.500000 Na\n0.884603 0.115397 0.000000 Na\n0.115397 0.884603 0.000000 Na\n0.604161 0.395839 0.697391 H\n0.395839 0.604161 0.697391 H\n0.104161 0.104161 0.197391 H\n0.895839 0.895839 0.197391 H\n0.395839 0.604161 0.302609 H\n0.604161 0.395839 0.302609 H\n0.895839 0.895839 0.802609 H\n0.104161 0.104161 0.802609 H\n0.744076 0.255924 0.205059 H\n0.255924 0.744076 0.205059 H\n0.244076 0.244076 0.705059 H\n0.755924 0.755924 0.705059 H\n0.255924 0.744076 0.794941 H\n0.744076 0.255924 0.794941 H\n0.755924 0.755924 0.294941 H\n0.244076 0.244076 0.294941 H\n0.569080 0.175427 0.500000 H\n0.430920 0.824573 0.500000 H\n0.069080 0.324573 0.000000 H\n0.930920 0.675427 0.000000 H\n0.175427 0.569080 0.500000 H\n0.824573 0.430920 0.500000 H\n0.324573 0.069080 0.000000 H\n0.675427 0.930920 0.000000 H\n0.826042 0.173958 0.500000 H\n0.173958 0.826042 0.500000 H\n0.326042 0.326042 0.000000 H\n0.673958 0.673958 0.000000 H\n0.702353 0.297647 0.500000 Os\n0.297647 0.702353 0.500000 Os\n0.202353 0.202353 0.000000 Os\n0.797647 0.797647 0.000000 Os\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Na",
"H",
"Os"
],
"chemical_system": "H-Na-Os",
"density": 3.6116130375733526,
"density_atomic": 0.08985602665763825,
"volume": 489.6722194009873,
"volume_molar": 6.701988707941701,
"formula_full": "Na12 H28 Os4",
"formula_reduced": "Na3H7Os",
"formula_anonymous": "AB3C7",
"energy": -172.50402267,
"energy_per_atom": -3.9205459697727276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.49202267,
"band_gap": 2.6014,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.04e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.728000Z",
"spacegroup": 136
},
{
"id": "mp-1519705",
"created_at": "2022-09-04T14:48:13.562793Z",
"structure_string": "Pr2 Mg2 Bi4 O12\n1.0\n5.826232 0.000000 0.000000\n0.000000 5.826232 0.000000\n0.000000 0.000000 8.650818\nPr Mg Bi O\n2 2 4 12\ndirect\n0.500000 0.500000 -0.000000 Pr\n-0.000000 -0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Mg\n-0.000000 -0.000000 -0.000000 Mg\n0.500000 -0.000000 0.750000 Bi\n-0.000000 0.500000 0.750000 Bi\n0.500000 -0.000000 0.250000 Bi\n-0.000000 0.500000 0.250000 Bi\n0.500000 0.500000 0.734089 O\n-0.000000 -0.000000 0.765911 O\n0.500000 0.500000 0.265911 O\n-0.000000 -0.000000 0.234089 O\n0.631899 0.167576 0.500000 O\n0.368101 0.832424 0.500000 O\n0.832424 0.631899 0.500000 O\n0.167576 0.368101 0.500000 O\n0.868101 0.667576 -0.000000 O\n0.131899 0.332424 -0.000000 O\n0.667576 0.131899 -0.000000 O\n0.332424 0.868101 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Mg",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-Pr",
"density": 7.681123851351704,
"density_atomic": 0.06810786586568683,
"volume": 293.65183809225954,
"volume_molar": 8.842063517121584,
"formula_full": "Pr2 Mg2 Bi4 O12",
"formula_reduced": "PrMg(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -127.20388264,
"energy_per_atom": -6.360194132,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.95988264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.032000Z",
"spacegroup": 128
},
{
"id": "mp-1072984",
"created_at": "2022-09-04T14:48:13.565028Z",
"structure_string": "Mg8 Si12\n1.0\n3.840627 0.000000 0.000000\n-1.880372 4.905874 0.000000\n-1.600054 -1.760175 19.413281\nMg Si\n8 12\ndirect\n0.525149 0.031574 0.174165 Mg\n0.335074 0.005643 0.803498 Mg\n0.832819 0.758243 0.045667 Mg\n0.053148 0.307017 0.942846 Mg\n0.576013 0.575296 0.716506 Mg\n0.774283 0.378570 0.320415 Mg\n0.352182 0.319265 0.565752 Mg\n0.998147 0.698332 0.464855 Mg\n0.546943 0.193179 0.044300 Si\n0.340155 0.876775 0.942345 Si\n0.203054 0.431529 0.120057 Si\n0.692928 0.656050 0.873187 Si\n0.868980 0.152500 0.682558 Si\n0.511848 0.811809 0.360382 Si\n0.619180 0.873575 0.560280 Si\n0.721640 0.141867 0.461036 Si\n0.134964 0.811345 0.635169 Si\n0.049392 0.950797 0.289928 Si\n0.823357 0.608382 0.192027 Si\n0.040663 0.418290 0.804926 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4127211001022575,
"density_atomic": 0.05467798912614924,
"volume": 365.77789929065233,
"volume_molar": 11.013829982127064,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -74.47906048,
"energy_per_atom": -3.723953024,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.33106048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.838000Z",
"spacegroup": 1
},
{
"id": "mp-1038308",
"created_at": "2022-09-04T14:48:13.568696Z",
"structure_string": "Mg30 Al1 Cu1 O32\n1.0\n8.496527 0.000000 0.000000\n0.000000 8.496527 0.000000\n0.000000 0.000000 8.533691\nMg Al Cu O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248077 0.253189 Mg\n0.000000 0.248077 0.746811 Mg\n0.000000 0.751923 0.253189 Mg\n0.000000 0.751923 0.746811 Mg\n0.500000 0.249695 0.251116 Mg\n0.500000 0.249695 0.748884 Mg\n0.500000 0.750305 0.251116 Mg\n0.500000 0.750305 0.748884 Mg\n0.248077 0.000000 0.253189 Mg\n0.248077 0.000000 0.746811 Mg\n0.249695 0.500000 0.251116 Mg\n0.249695 0.500000 0.748884 Mg\n0.751923 0.000000 0.253189 Mg\n0.751923 0.000000 0.746811 Mg\n0.750305 0.500000 0.251116 Mg\n0.750305 0.500000 0.748884 Mg\n0.250033 0.250033 0.000000 Mg\n0.248165 0.248165 0.500000 Mg\n0.250033 0.749967 0.000000 Mg\n0.248165 0.751835 0.500000 Mg\n0.749967 0.250033 0.000000 Mg\n0.751835 0.248165 0.500000 Mg\n0.749967 0.749967 0.000000 Mg\n0.751835 0.751835 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n0.238906 0.000000 0.000000 O\n0.259598 0.000000 0.500000 O\n0.248455 0.500000 0.000000 O\n0.251107 0.500000 0.500000 O\n0.761094 0.000000 0.000000 O\n0.740402 0.000000 0.500000 O\n0.751545 0.500000 0.000000 O\n0.748893 0.500000 0.500000 O\n0.249423 0.249423 0.249645 O\n0.249423 0.249423 0.750355 O\n0.249423 0.750577 0.249645 O\n0.249423 0.750577 0.750355 O\n0.750577 0.249423 0.249645 O\n0.750577 0.249423 0.750355 O\n0.750577 0.750577 0.249645 O\n0.750577 0.750577 0.750355 O\n0.000000 0.000000 0.218783 O\n0.000000 0.000000 0.781217 O\n0.000000 0.500000 0.245915 O\n0.000000 0.500000 0.754085 O\n0.500000 0.000000 0.245915 O\n0.500000 0.000000 0.754085 O\n0.500000 0.500000 0.248570 O\n0.500000 0.500000 0.751430 O\n0.000000 0.238906 0.000000 O\n0.000000 0.259598 0.500000 O\n0.000000 0.761094 0.000000 O\n0.000000 0.740402 0.500000 O\n0.500000 0.248455 0.000000 O\n0.500000 0.251107 0.500000 O\n0.500000 0.751545 0.000000 O\n0.500000 0.748893 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-Mg-O",
"density": 3.5894021072172055,
"density_atomic": 0.10388675408305269,
"volume": 616.0554400307371,
"volume_molar": 5.79683214973256,
"formula_full": "Mg30 Al1 Cu1 O32",
"formula_reduced": "Mg30AlCuO32",
"formula_anonymous": "ABC30D32",
"energy": -405.54977328,
"energy_per_atom": -6.3367152075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -383.56577328,
"band_gap": 1.2284999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:40.247000Z",
"spacegroup": 123
},
{
"id": "mp-384",
"created_at": "2022-09-04T14:48:13.571399Z",
"structure_string": "Mg2 P8\n1.0\n5.118682 0.000000 0.000000\n0.000000 5.190379 0.000000\n0.000000 1.131540 7.511942\nMg P\n2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.292197 0.252975 0.746195 P\n0.792197 0.747025 0.753805 P\n0.707803 0.747025 0.253805 P\n0.207803 0.252975 0.246195 P\n0.891319 0.396771 0.400495 P\n0.391319 0.603229 0.099505 P\n0.108681 0.603229 0.599505 P\n0.608681 0.396771 0.900495 P\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"P"
],
"chemical_system": "Mg-P",
"density": 2.46614149485428,
"density_atomic": 0.05010609450417194,
"volume": 199.57652056013623,
"volume_molar": 12.018778992041742,
"formula_full": "Mg2 P8",
"formula_reduced": "MgP4",
"formula_anonymous": "AB4",
"energy": -49.56805909,
"energy_per_atom": -4.956805909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.56805909,
"band_gap": 0.7289000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001093,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:02.157000Z",
"spacegroup": 14
},
{
"id": "mp-1113048",
"created_at": "2022-09-04T14:48:13.595228Z",
"structure_string": "Cs2 Rb1 Al1 F6\n1.0\n5.980392 -0.000000 -0.000000\n2.990196 5.179172 -0.000000\n2.990196 1.726390 4.882970\nCs Rb Al F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.209991 0.790009 0.209991 F\n0.790009 0.790009 0.209991 F\n0.790009 0.209991 0.790009 F\n0.790009 0.209991 0.209991 F\n0.209991 0.790009 0.790009 F\n0.209991 0.209991 0.790009 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Al",
"F"
],
"chemical_system": "Al-Cs-F-Rb",
"density": 5.4045727091706635,
"density_atomic": 0.06611895148649986,
"volume": 151.24256775369156,
"volume_molar": 9.108040319165676,
"formula_full": "Cs2 Rb1 Al1 F6",
"formula_reduced": "Cs2RbAlF6",
"formula_anonymous": "ABC2D6",
"energy": -50.34015208,
"energy_per_atom": -5.0340152080000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.56815208,
"band_gap": 8.3194,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.69e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:38.934000Z",
"spacegroup": 225
},
{
"id": "mp-1207592",
"created_at": "2022-09-04T14:48:13.598150Z",
"structure_string": "Yb4 Al24 Pt9\n1.0\n7.470382 0.000000 0.000000\n-3.708846 -6.500943 0.000000\n-2.528369 0.016633 -13.176947\nYb Al Pt\n4 24 9\ndirect\n0.437534 0.830934 0.808352 Yb\n0.562466 0.169066 0.191648 Yb\n0.766867 0.500563 0.808327 Yb\n0.233133 0.499437 0.191673 Yb\n0.480310 0.166204 0.946646 Al\n0.519690 0.833796 0.053354 Al\n0.019733 0.168301 0.558308 Al\n0.980267 0.831699 0.441692 Al\n0.353173 0.833135 0.556812 Al\n0.646827 0.166865 0.443188 Al\n0.618821 0.835291 0.328414 Al\n0.381179 0.164709 0.671586 Al\n0.056361 0.492093 0.671379 Al\n0.943639 0.507907 0.328621 Al\n0.733164 0.842208 0.670541 Al\n0.266836 0.157792 0.329459 Al\n0.148390 0.499597 0.947086 Al\n0.851610 0.500403 0.052914 Al\n0.817899 0.832716 0.954177 Al\n0.182101 0.167284 0.045823 Al\n0.316525 0.501536 0.443118 Al\n0.683475 0.498464 0.556882 Al\n0.102668 0.835896 0.182042 Al\n0.897332 0.164104 0.817958 Al\n0.308207 0.369982 0.816563 Al\n0.691793 0.630018 0.183437 Al\n0.102803 0.957317 0.817078 Al\n0.897197 0.042683 0.182922 Al\n0.387026 0.507575 0.637366 Pt\n0.612974 0.492425 0.362634 Pt\n0.171771 0.829174 0.999970 Pt\n0.828229 0.170826 0.000030 Pt\n0.295499 0.832868 0.362907 Pt\n0.704501 0.167132 0.637093 Pt\n0.045818 0.825613 0.635484 Pt\n0.954182 0.174387 0.364516 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Pt"
],
"chemical_system": "Al-Pt-Yb",
"density": 8.032341045999301,
"density_atomic": 0.057818624629978936,
"volume": 639.9322058729068,
"volume_molar": 10.41557248817282,
"formula_full": "Yb4 Al24 Pt9",
"formula_reduced": "Yb4(Al8Pt3)3",
"formula_anonymous": "A4B9C24",
"energy": -181.9788283,
"energy_per_atom": -4.918346710810811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.9788283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0092391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.774000Z",
"spacegroup": 2
},
{
"id": "mp-1184444",
"created_at": "2022-09-04T14:48:13.603831Z",
"structure_string": "Fe2 Cu6\n1.0\n2.584442 -4.476385 0.000000\n2.584442 4.476385 0.000000\n0.000000 0.000000 4.159900\nFe Cu\n2 6\ndirect\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.166776 0.333551 0.250000 Cu\n0.666449 0.833224 0.250000 Cu\n0.166776 0.833224 0.250000 Cu\n0.833224 0.666449 0.750000 Cu\n0.333551 0.166776 0.750000 Cu\n0.833224 0.166776 0.750000 Cu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Cu"
],
"chemical_system": "Cu-Fe",
"density": 8.504699164856119,
"density_atomic": 0.0831156639766918,
"volume": 96.25141179457397,
"volume_molar": 7.245494377195609,
"formula_full": "Fe2 Cu6",
"formula_reduced": "FeCu3",
"formula_anonymous": "AB3",
"energy": -40.08527604,
"energy_per_atom": -5.010659505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.08527604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2010005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:37.399000Z",
"spacegroup": 194
}
]
}