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=-nelements&page=10265",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10263",
"results": [
{
"id": "mp-763229",
"created_at": "2022-09-04T14:45:00.058594Z",
"structure_string": "V8 O8 F8\n1.0\n-4.653020 0.000159 -0.000110\n-0.000373 4.784276 -9.408121\n0.000145 -4.731039 -3.110540\nV O F\n8 8 8\ndirect\n0.522200 0.986737 0.503623 V\n0.021760 0.764241 0.744729 V\n0.979059 0.237553 0.252408 V\n0.021174 0.012818 0.997569 V\n0.478215 0.264045 0.744717 V\n0.977892 0.486630 0.503842 V\n0.520970 0.737607 0.252433 V\n0.478798 0.512744 0.997647 V\n0.801071 0.317937 0.523765 O\n0.698807 0.818063 0.523859 O\n0.302107 0.431125 0.726293 O\n0.197927 0.931276 0.726185 O\n0.791775 0.070060 0.264772 O\n0.708129 0.570067 0.264999 O\n0.293229 0.679249 0.986414 O\n0.206838 0.179172 0.986383 O\n0.801538 0.582495 0.770910 F\n0.698498 0.082556 0.770736 F\n0.298823 0.167265 0.479827 F\n0.201110 0.667276 0.479941 F\n0.801869 0.835215 0.021404 F\n0.698242 0.335081 0.021298 F\n0.302865 0.915462 0.228093 F\n0.197104 0.415327 0.228154 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.131131315937981,
"density_atomic": 0.08684590181045343,
"volume": 276.35155487683795,
"volume_molar": 6.934283177971594,
"formula_full": "V8 O8 F8",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy": -194.79858165,
"energy_per_atom": -8.11660756875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.00658165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.183000Z",
"spacegroup": 14
},
{
"id": "mp-1193887",
"created_at": "2022-09-04T14:44:54.646733Z",
"structure_string": "Be4 Cr8 O16\n1.0\n-4.614134 -0.000009 0.001693\n0.002130 -0.000003 -5.780110\n-0.000020 -9.984345 -0.000004\nBe Cr O\n4 8 16\ndirect\n0.930051 0.750009 0.407160 Be\n0.569952 0.749991 0.907160 Be\n0.069950 0.249990 0.592841 Be\n0.430050 0.250011 0.092840 Be\n0.496571 0.749275 0.230712 Cr\n0.003431 0.750726 0.730714 Cr\n0.503427 0.250722 0.769287 Cr\n0.996569 0.249281 0.269287 Cr\n0.499999 0.499997 0.499999 Cr\n0.999997 0.999998 0.000001 Cr\n0.500002 0.999998 0.500000 Cr\n0.999999 0.500003 0.999998 Cr\n0.273752 0.750227 0.407113 O\n0.226244 0.749773 0.907112 O\n0.726248 0.249769 0.592886 O\n0.773751 0.250232 0.092891 O\n0.726925 0.750198 0.059663 O\n0.773076 0.749800 0.559659 O\n0.273079 0.249805 0.940337 O\n0.226924 0.250194 0.440340 O\n0.760314 0.974819 0.336998 O\n0.739686 0.525180 0.836996 O\n0.239092 0.474956 0.663111 O\n0.260909 0.025045 0.163115 O\n0.239688 0.025182 0.663000 O\n0.260313 0.474820 0.163004 O\n0.760907 0.525044 0.336889 O\n0.739093 0.974959 0.836887 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Be",
"Cr",
"O"
],
"chemical_system": "Be-Cr-O",
"density": 4.415108609268592,
"density_atomic": 0.10515070880632388,
"volume": 266.28446272837726,
"volume_molar": 5.72715184554022,
"formula_full": "Be4 Cr8 O16",
"formula_reduced": "BeCr2O4",
"formula_anonymous": "AB2C4",
"energy": -244.15151702000003,
"energy_per_atom": -8.719697036428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.16751702,
"band_gap": 2.8371000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0006859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.008000Z",
"spacegroup": 62
},
{
"id": "mp-769003",
"created_at": "2022-09-04T14:44:54.750397Z",
"structure_string": "Ba2 Y6 Cl22\n1.0\n5.339051 0.000000 0.000000\n0.000000 10.309998 0.000000\n0.000000 0.000000 19.279190\nBa Y Cl\n2 6 22\ndirect\n0.000000 0.250000 0.014212 Ba\n0.000000 0.750000 0.985788 Ba\n0.000000 0.500634 0.235758 Y\n0.000000 0.999366 0.235758 Y\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.499366 0.764242 Y\n0.000000 0.000634 0.764242 Y\n0.500000 0.250000 0.069049 Cl\n0.000000 0.537167 0.100806 Cl\n0.000000 0.962833 0.100806 Cl\n0.000000 0.250000 0.203269 Cl\n0.500000 0.503780 0.239234 Cl\n0.500000 0.996220 0.239234 Cl\n0.000000 0.750000 0.267756 Cl\n0.000000 0.430848 0.368213 Cl\n0.000000 0.069152 0.368213 Cl\n0.000000 0.750000 0.464202 Cl\n0.500000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.000000 0.250000 0.535798 Cl\n0.000000 0.569152 0.631787 Cl\n0.000000 0.930848 0.631787 Cl\n0.000000 0.250000 0.732244 Cl\n0.500000 0.496220 0.760766 Cl\n0.500000 0.003780 0.760766 Cl\n0.000000 0.750000 0.796731 Cl\n0.000000 0.462833 0.899194 Cl\n0.000000 0.037167 0.899194 Cl\n0.500000 0.750000 0.930951 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Cl"
],
"chemical_system": "Ba-Cl-Y",
"density": 2.484867469141058,
"density_atomic": 0.028268959321909655,
"volume": 1061.2346800028367,
"volume_molar": 21.30301540790213,
"formula_full": "Ba2 Y6 Cl22",
"formula_reduced": "BaY3Cl11",
"formula_anonymous": "AB3C11",
"energy": -164.81105548000002,
"energy_per_atom": -5.493701849333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.30305548,
"band_gap": 3.4228,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.896000Z",
"spacegroup": 51
},
{
"id": "mp-1101449",
"created_at": "2022-09-04T14:45:00.263728Z",
"structure_string": "Nb2 V6 O16\n1.0\n6.017141 0.017696 -0.048025\n-2.993244 5.184474 0.096037\n-0.075666 0.131037 9.383726\nNb V O\n2 6 16\ndirect\n0.345360 0.678694 0.499501 Nb\n0.654646 0.333333 0.999500 Nb\n0.158418 0.817144 0.219349 V\n0.167171 0.339563 0.204651 V\n0.657114 0.821142 0.218138 V\n0.342878 0.164018 0.718139 V\n0.841567 0.658718 0.719346 V\n0.832843 0.172406 0.704652 V\n0.176112 0.829232 0.602888 O\n0.047295 0.532208 0.336734 O\n0.336744 0.682127 0.106532 O\n0.998367 0.995530 0.301550 O\n0.001634 0.997162 0.801550 O\n0.182990 0.341826 0.597272 O\n0.477871 0.954835 0.336353 O\n0.487686 0.533613 0.335384 O\n0.335656 0.159571 0.099511 O\n0.664347 0.823924 0.599514 O\n0.522123 0.476963 0.836348 O\n0.512320 0.045930 0.835380 O\n0.663257 0.345384 0.606534 O\n0.823878 0.653118 0.102889 O\n0.952705 0.484918 0.836737 O\n0.817015 0.158841 0.097273 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nb",
"V",
"O"
],
"chemical_system": "Nb-O-V",
"density": 4.233873425047071,
"density_atomic": 0.08186845852813263,
"volume": 293.15319271283005,
"volume_molar": 7.355874128166953,
"formula_full": "Nb2 V6 O16",
"formula_reduced": "NbV3O8",
"formula_anonymous": "AB3C8",
"energy": -215.53728832,
"energy_per_atom": -8.980720346666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.34528832,
"band_gap": 1.2261000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0008521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.022000Z",
"spacegroup": 9
},
{
"id": "mp-976259",
"created_at": "2022-09-04T14:44:54.137450Z",
"structure_string": "Li1 Tm1 Rh2\n1.0\n0.000000 3.186184 3.186184\n3.186184 0.000000 3.186184\n3.186184 3.186184 0.000000\nLi Tm Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Rh"
],
"chemical_system": "Li-Rh-Tm",
"density": 9.79744906000281,
"density_atomic": 0.06183259002064162,
"volume": 64.69080461718775,
"volume_molar": 9.739428282059063,
"formula_full": "Li1 Tm1 Rh2",
"formula_reduced": "LiTmRh2",
"formula_anonymous": "ABC2",
"energy": -23.37317866,
"energy_per_atom": -5.843294665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.37317866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.402000Z",
"spacegroup": 225
},
{
"id": "mp-691119",
"created_at": "2022-09-04T14:44:54.291768Z",
"structure_string": "Bi14 Mo1 O24\n1.0\n8.932799 0.000000 0.000000\n-0.080123 8.938799 0.000000\n-4.381535 -4.451857 8.589856\nBi Mo O\n14 1 24\ndirect\n0.131552 0.941152 0.660163 Bi\n0.052652 0.470109 0.332925 Bi\n0.342028 0.341447 0.682134 Bi\n0.270565 0.866486 0.329938 Bi\n0.216914 0.437595 0.997368 Bi\n0.520714 0.719565 0.653414 Bi\n0.467733 0.276444 0.331695 Bi\n0.441131 0.782467 0.997954 Bi\n0.714260 0.133404 0.659193 Bi\n0.654096 0.658422 0.318610 Bi\n0.561628 0.219477 0.999437 Bi\n0.936485 0.525649 0.656462 Bi\n0.864419 0.058774 0.334785 Bi\n0.785049 0.565769 0.002569 Bi\n0.967757 0.991370 0.961479 Mo\n0.179697 0.093695 0.029477 O\n0.996129 0.329374 0.493490 O\n0.237186 0.540396 0.841360 O\n0.297861 0.240639 0.836750 O\n0.169360 0.001340 0.497487 O\n0.107194 0.618652 0.227548 O\n0.381113 0.884285 0.764621 O\n0.324024 0.498727 0.493258 O\n0.538920 0.606864 0.840595 O\n0.594552 0.306770 0.839132 O\n0.487217 0.824008 0.487912 O\n0.496433 0.176477 0.502582 O\n0.395294 0.697174 0.156118 O\n0.460443 0.403403 0.161183 O\n0.842692 0.146399 0.999571 O\n0.668263 0.496484 0.491834 O\n0.615750 0.115718 0.229615 O\n0.880834 0.380978 0.765438 O\n0.881214 0.865686 0.754542 O\n0.825744 0.005971 0.497919 O\n0.694761 0.762467 0.157817 O\n0.758132 0.467382 0.162214 O\n0.001503 0.669291 0.497421 O\n0.962098 0.858089 0.048790 O\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Bi",
"Mo",
"O"
],
"chemical_system": "Bi-Mo-O",
"density": 8.245113658921245,
"density_atomic": 0.056860672257977474,
"volume": 685.8870718773177,
"volume_molar": 10.591047416178062,
"formula_full": "Bi14 Mo1 O24",
"formula_reduced": "Bi14MoO24",
"formula_anonymous": "AB14C24",
"energy": -250.26497145,
"energy_per_atom": -6.41705055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.57497145,
"band_gap": 2.6039,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021761,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.361000Z",
"spacegroup": 1
},
{
"id": "mp-1045431",
"created_at": "2022-09-04T14:44:54.487393Z",
"structure_string": "Zn2 Co4 S8\n1.0\n-3.432190 3.457375 4.773126\n3.432190 -3.457375 4.773126\n3.432190 3.457375 -4.773126\nZn Co S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.206629 0.242947 0.963682 S\n0.767454 0.795957 0.528503 S\n0.779265 0.242947 0.536318 S\n0.232546 0.761049 0.028503 S\n0.220735 0.757053 0.463682 S\n0.232546 0.204043 0.471497 S\n0.767454 0.238951 0.971497 S\n0.793371 0.757053 0.036318 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Co",
"S"
],
"chemical_system": "Co-S-Zn",
"density": 4.566734705914154,
"density_atomic": 0.06179414626205813,
"volume": 226.55867662008723,
"volume_molar": 9.745487435753473,
"formula_full": "Zn2 Co4 S8",
"formula_reduced": "Zn(CoS2)2",
"formula_anonymous": "AB2C4",
"energy": -72.819866,
"energy_per_atom": -5.2014190000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.795866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.402000Z",
"spacegroup": 74
},
{
"id": "mp-752977",
"created_at": "2022-09-04T14:44:54.644980Z",
"structure_string": "Co6 O9 F3\n1.0\n3.079468 -3.370278 0.000000\n3.079468 3.370278 0.000000\n0.000000 0.000000 8.716038\nCo O F\n6 9 3\ndirect\n0.997077 0.002923 0.665438 Co\n0.997077 0.002923 0.334562 Co\n0.987548 0.012452 0.000000 Co\n0.459976 0.540024 0.500000 Co\n0.529776 0.470224 0.830649 Co\n0.529776 0.470224 0.169351 Co\n0.815658 0.184342 0.828617 O\n0.815658 0.184342 0.171383 O\n0.302827 0.314171 0.333913 O\n0.302827 0.314171 0.666087 O\n0.320660 0.297901 0.000000 O\n0.702099 0.679340 0.000000 O\n0.685829 0.697173 0.666087 O\n0.685829 0.697173 0.333913 O\n0.174503 0.825497 0.500000 O\n0.792717 0.207283 0.500000 F\n0.200081 0.799919 0.832605 F\n0.200081 0.799919 0.167395 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.090140864256283,
"density_atomic": 0.09949058246679716,
"volume": 180.92164658908408,
"volume_molar": 6.052975679391323,
"formula_full": "Co6 O9 F3",
"formula_reduced": "Co2O3F",
"formula_anonymous": "AB2C3",
"energy": -116.02899446,
"energy_per_atom": -6.446055247777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.63199446000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0310967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.778000Z",
"spacegroup": 38
},
{
"id": "mp-753738",
"created_at": "2022-09-04T14:44:51.015696Z",
"structure_string": "V3 Co1 O8\n1.0\n5.585290 0.000000 0.000000\n0.006038 5.592349 0.000000\n0.064172 0.067976 7.346674\nV Co O\n3 1 8\ndirect\n0.990167 0.936117 0.121316 V\n0.501824 0.567529 0.627305 V\n0.002780 0.432799 0.374872 V\n0.491990 0.067780 0.877264 Co\n0.695375 0.964904 0.074058 O\n0.550220 0.860124 0.672616 O\n0.063524 0.631112 0.184884 O\n0.196495 0.520830 0.557826 O\n0.693196 0.472373 0.443460 O\n0.553117 0.399721 0.815997 O\n0.056023 0.125090 0.311428 O\n0.156888 0.021623 0.938975 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Co",
"O"
],
"chemical_system": "Co-O-V",
"density": 2.4585639004924382,
"density_atomic": 0.0522938338983219,
"volume": 229.47256120735636,
"volume_molar": 11.515967201236794,
"formula_full": "V3 Co1 O8",
"formula_reduced": "V3CoO8",
"formula_anonymous": "AB3C8",
"energy": -100.049736,
"energy_per_atom": -8.337477999999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.815736,
"band_gap": 0.8059999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.061000Z",
"spacegroup": 1
},
{
"id": "mp-865968",
"created_at": "2022-09-04T14:44:55.150309Z",
"structure_string": "Ce1 Al1 Ag2\n1.0\n0.000000 3.498549 3.498549\n3.498549 0.000000 3.498549\n3.498549 3.498549 0.000000\nCe Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Al\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Ce",
"density": 7.4227639599696165,
"density_atomic": 0.046705294284104755,
"volume": 85.64339570731113,
"volume_molar": 12.893914602845184,
"formula_full": "Ce1 Al1 Ag2",
"formula_reduced": "CeAlAg2",
"formula_anonymous": "ABC2",
"energy": -16.16650461,
"energy_per_atom": -4.0416261525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.16650461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7840444,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.822000Z",
"spacegroup": 225
},
{
"id": "mp-1006888",
"created_at": "2022-09-04T14:44:55.164618Z",
"structure_string": "K1 Y1 S2\n1.0\n7.498603 -2.026320 0.000000\n7.498603 2.026320 0.000000\n6.951038 0.000000 3.466712\nK Y S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Y\n0.733829 0.733829 0.733829 S\n0.266171 0.266171 0.266171 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Y",
"S"
],
"chemical_system": "K-S-Y",
"density": 3.0284297870036307,
"density_atomic": 0.037968534933358215,
"volume": 105.35039097559961,
"volume_molar": 15.860872089402365,
"formula_full": "K1 Y1 S2",
"formula_reduced": "KYS2",
"formula_anonymous": "ABC2",
"energy": -24.39338398,
"energy_per_atom": -6.098345995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.38738398,
"band_gap": 2.3221,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003229,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.030000Z",
"spacegroup": 166
},
{
"id": "mp-623814",
"created_at": "2022-09-04T14:44:31.095639Z",
"structure_string": "Hf16 Fe2 Te12\n1.0\n3.738266 0.000000 0.000000\n0.000000 7.691725 0.000000\n0.000000 0.000000 26.076736\nHf Fe Te\n16 2 12\ndirect\n0.500000 0.739211 0.433886 Hf\n0.000000 0.260789 0.066114 Hf\n0.500000 0.073789 0.500000 Hf\n0.000000 0.057696 0.801538 Hf\n0.000000 0.260789 0.933886 Hf\n0.500000 0.942304 0.698462 Hf\n0.500000 0.943882 0.900606 Hf\n0.000000 0.056118 0.599394 Hf\n0.000000 0.056118 0.400606 Hf\n0.500000 0.942304 0.301538 Hf\n0.000000 0.459232 0.500000 Hf\n0.000000 0.926211 0.000000 Hf\n0.500000 0.540768 0.000000 Hf\n0.000000 0.057696 0.198462 Hf\n0.500000 0.943882 0.099394 Hf\n0.500000 0.739211 0.566114 Hf\n0.000000 0.816177 0.500000 Fe\n0.500000 0.183823 0.000000 Fe\n0.000000 0.699413 0.344134 Te\n0.000000 0.649329 0.082139 Te\n0.500000 0.350671 0.417861 Te\n0.000000 0.649329 0.917861 Te\n0.500000 0.300587 0.155866 Te\n0.500000 0.300587 0.844134 Te\n0.500000 0.775488 0.202505 Te\n0.000000 0.224512 0.702505 Te\n0.000000 0.224512 0.297495 Te\n0.500000 0.350671 0.582139 Te\n0.500000 0.775488 0.797495 Te\n0.000000 0.699413 0.655866 Te\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Te"
],
"chemical_system": "Fe-Hf-Te",
"density": 9.963039375344623,
"density_atomic": 0.04001050887904951,
"volume": 749.8030102713526,
"volume_molar": 15.051397567086038,
"formula_full": "Hf16 Fe2 Te12",
"formula_reduced": "Hf8FeTe6",
"formula_anonymous": "AB6C8",
"energy": -237.77874367,
"energy_per_atom": -7.925958122333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.71474367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.674000Z",
"spacegroup": 59
}
]
}