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=12130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12128",
"results": [
{
"id": "mp-28456",
"created_at": "2022-09-04T14:40:23.938279Z",
"structure_string": "Sn15 Os3 O14\n1.0\n3.606607 6.300939 0.000000\n-3.606607 6.300939 0.000000\n0.000000 4.164593 12.477666\nSn Os O\n15 3 14\ndirect\n0.329176 0.853368 0.088820 Sn\n0.423365 0.904846 0.346725 Sn\n0.904846 0.423365 0.346725 Sn\n0.985569 0.985569 0.619044 Sn\n0.090587 0.570703 0.837950 Sn\n0.570703 0.090587 0.837950 Sn\n0.849682 0.849682 0.080311 Sn\n0.557335 0.557335 0.872567 Sn\n0.904569 0.904569 0.341011 Sn\n0.995401 0.510925 0.574458 Sn\n0.510925 0.995401 0.574458 Sn\n0.512919 0.512919 0.579103 Sn\n0.097464 0.097464 0.822599 Sn\n0.853368 0.329176 0.088820 Sn\n0.321125 0.321125 0.111209 Sn\n0.711416 0.711416 0.965124 Os\n0.115908 0.115908 0.231164 Os\n0.302192 0.302192 0.694418 Os\n0.775382 0.775382 0.251799 O\n0.764055 0.256496 0.815708 O\n0.256496 0.764055 0.815708 O\n0.023481 0.575128 0.406750 O\n0.575128 0.023481 0.406750 O\n0.655542 0.655542 0.632387 O\n0.575887 0.575887 0.410491 O\n0.375950 0.375950 0.942402 O\n0.876641 0.876641 0.526439 O\n0.042254 0.042254 0.990281 O\n0.305509 0.876377 0.532763 O\n0.876377 0.305509 0.532763 O\n0.182419 0.647039 0.114887 O\n0.647039 0.182419 0.114887 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sn",
"Os",
"O"
],
"chemical_system": "O-Os-Sn",
"density": 7.5407545669740745,
"density_atomic": 0.056426424253403606,
"volume": 567.1101868211998,
"volume_molar": 10.672554285834883,
"formula_full": "Sn15 Os3 O14",
"formula_reduced": "Sn15Os3O14",
"formula_anonymous": "A3B14C15",
"energy": -209.36516374,
"energy_per_atom": -6.542661366875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.74716374,
"band_gap": 1.5083000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.214000Z",
"spacegroup": 8
},
{
"id": "mp-32826",
"created_at": "2022-09-04T14:40:23.949985Z",
"structure_string": "Dy16 S24\n1.0\n-4.161838 4.161838 12.450136\n4.161838 -4.161838 12.450136\n4.161838 4.161838 -12.450136\nDy S\n16 24\ndirect\n0.201550 0.322466 0.601639 Dy\n0.415448 0.915448 0.500000 Dy\n0.993781 0.625000 0.868781 Dy\n0.029173 0.927534 0.379084 Dy\n0.334552 0.334552 0.000000 Dy\n0.756219 0.125000 0.131219 Dy\n0.548450 0.650089 0.620916 Dy\n0.349911 0.970827 0.898361 Dy\n0.375000 0.243781 0.368781 Dy\n0.665448 0.665448 0.000000 Dy\n0.875000 0.006219 0.631219 Dy\n0.072466 0.451550 0.101639 Dy\n0.084552 0.584552 0.500000 Dy\n0.677534 0.279173 0.879084 Dy\n0.720827 0.599911 0.398361 Dy\n0.400089 0.798450 0.120916 Dy\n0.500712 0.254392 0.886639 S\n0.710339 0.823528 0.745649 S\n0.367753 0.614073 0.113361 S\n0.249288 0.635927 0.253680 S\n0.382247 0.995608 0.746320 S\n0.672122 0.426472 0.386812 S\n0.077878 0.964690 0.254351 S\n0.846176 0.593350 0.905010 S\n0.039661 0.285310 0.613188 S\n0.058834 0.153824 0.747174 S\n0.688340 0.941166 0.094990 S\n0.573528 0.960339 0.245649 S\n0.714690 0.327878 0.754351 S\n0.004392 0.750712 0.386639 S\n0.406650 0.311660 0.252826 S\n0.176472 0.922122 0.886812 S\n0.364073 0.617753 0.613361 S\n0.385927 0.499288 0.753680 S\n0.035310 0.289661 0.113188 S\n0.903824 0.308834 0.247174 S\n0.061660 0.656650 0.752826 S\n0.745608 0.632247 0.246320 S\n0.343350 0.096176 0.405010 S\n0.691166 0.938340 0.594990 S\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Dy",
"S"
],
"chemical_system": "Dy-S",
"density": 6.486611118966419,
"density_atomic": 0.046371971684488554,
"volume": 862.5900203717242,
"volume_molar": 12.986596302124475,
"formula_full": "Dy16 S24",
"formula_reduced": "Dy2S3",
"formula_anonymous": "A2B3",
"energy": -266.79015402,
"energy_per_atom": -6.669753850499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.71815402,
"band_gap": 1.9091,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038366,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.448000Z",
"spacegroup": 122
},
{
"id": "mp-1213686",
"created_at": "2022-09-04T14:40:23.965464Z",
"structure_string": "Cs2 Cr2 Mo4 O16\n1.0\n-2.888174 -5.002505 -0.000052\n-5.776383 0.000020 -0.000063\n-0.000180 -0.000068 -16.503694\nCs Cr Mo O\n2 2 4 16\ndirect\n0.000073 0.999899 0.999991 Cs\n0.000075 0.999899 0.500029 Cs\n0.000156 0.000061 0.249850 Cr\n0.999576 0.999984 0.750179 Cr\n0.333066 0.333265 0.854426 Mo\n0.666860 0.666836 0.145569 Mo\n0.666417 0.666605 0.645809 Mo\n0.333528 0.333490 0.354185 Mo\n0.333468 0.333312 0.460501 O\n0.333319 0.333204 0.960717 O\n0.666786 0.666662 0.039253 O\n0.666663 0.666544 0.539514 O\n0.161244 0.677979 0.321302 O\n0.160886 0.677818 0.821612 O\n0.839094 0.322265 0.178319 O\n0.838759 0.322106 0.678657 O\n0.678014 0.161192 0.321318 O\n0.677667 0.160986 0.821681 O\n0.322296 0.839045 0.178347 O\n0.321972 0.838836 0.678721 O\n0.161291 0.161220 0.321389 O\n0.160879 0.160920 0.821589 O\n0.839155 0.839090 0.178409 O\n0.838757 0.838782 0.678632 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cs",
"Cr",
"Mo",
"O"
],
"chemical_system": "Cr-Cs-Mo-O",
"density": 3.515223108464445,
"density_atomic": 0.0503252218877632,
"volume": 476.89804634196173,
"volume_molar": 11.966446513501237,
"formula_full": "Cs2 Cr2 Mo4 O16",
"formula_reduced": "CsCr(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy": -195.59475411,
"energy_per_atom": -8.14978142125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.79675411,
"band_gap": 3.1264,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9788884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.989000Z",
"spacegroup": 164
},
{
"id": "mp-1079659",
"created_at": "2022-09-04T14:40:24.491852Z",
"structure_string": "Ta2 B4 Mo4\n1.0\n6.126533 0.000000 0.000000\n0.000000 6.126533 0.000000\n0.000000 0.000000 3.192332\nTa B Mo\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.109299 0.609299 0.000000 B\n0.890701 0.390701 0.000000 B\n0.609299 0.890701 0.000000 B\n0.390701 0.109299 0.000000 B\n0.673827 0.173827 0.500000 Mo\n0.326173 0.826173 0.500000 Mo\n0.173827 0.326173 0.500000 Mo\n0.826173 0.673827 0.500000 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ta",
"B",
"Mo"
],
"chemical_system": "B-Mo-Ta",
"density": 10.932848143147538,
"density_atomic": 0.08345692797332288,
"volume": 119.82228729047532,
"volume_molar": 7.215866802484014,
"formula_full": "Ta2 B4 Mo4",
"formula_reduced": "Ta(BMo)2",
"formula_anonymous": "AB2C2",
"energy": -98.36757136,
"energy_per_atom": -9.836757136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.36757136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.273000Z",
"spacegroup": 127
},
{
"id": "mp-1096872",
"created_at": "2022-09-04T14:40:23.869632Z",
"structure_string": "B4 C6 N12\n1.0\n5.210881 0.000000 0.000000\n0.000000 5.258486 0.000000\n0.000000 0.000000 8.350181\nB C N\n4 6 12\ndirect\n0.153791 0.758022 0.500000 B\n0.846209 0.241978 0.500000 B\n0.346209 0.258022 0.000000 B\n0.653791 0.741978 0.000000 B\n0.500000 0.000000 0.832840 C\n0.000000 0.500000 0.667160 C\n0.500000 0.000000 0.167160 C\n0.500000 0.500000 0.500000 C\n0.000000 0.000000 0.000000 C\n0.000000 0.500000 0.332840 C\n0.988815 0.266947 0.348179 N\n0.488815 0.233053 0.848179 N\n0.511185 0.766947 0.848179 N\n0.511185 0.766947 0.151821 N\n0.575953 0.280384 0.500000 N\n0.488815 0.233053 0.151821 N\n0.011185 0.733053 0.651821 N\n0.924047 0.780384 0.000000 N\n0.075953 0.219616 0.000000 N\n0.424047 0.719616 0.500000 N\n0.988815 0.266947 0.651821 N\n0.011185 0.733053 0.348179 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 2.0566657055570947,
"density_atomic": 0.09615124544424643,
"volume": 228.80618860789238,
"volume_molar": 6.26319579343562,
"formula_full": "B4 C6 N12",
"formula_reduced": "B2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy": -179.73950189,
"energy_per_atom": -8.169977358636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.40750189,
"band_gap": 1.8805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.054000Z",
"spacegroup": 58
},
{
"id": "mp-1207452",
"created_at": "2022-09-04T14:40:23.873555Z",
"structure_string": "Zr6 U4 Ge8\n1.0\n7.432117 0.000000 0.000000\n0.000000 7.232680 0.000000\n0.000000 2.472398 6.989299\nZr U Ge\n6 4 8\ndirect\n0.670891 0.749535 0.252028 Zr\n0.329109 0.250465 0.747972 Zr\n0.170891 0.750465 0.747972 Zr\n0.829109 0.249535 0.252028 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.669090 0.938224 0.683051 U\n0.330910 0.061776 0.316949 U\n0.169090 0.561776 0.316949 U\n0.830910 0.438224 0.683051 U\n0.962784 0.855835 0.415299 Ge\n0.037216 0.144165 0.584701 Ge\n0.462784 0.644165 0.584701 Ge\n0.537216 0.355835 0.415299 Ge\n0.866108 0.636307 0.989503 Ge\n0.133892 0.363693 0.010497 Ge\n0.366108 0.863693 0.010497 Ge\n0.633892 0.136307 0.989503 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"U",
"Ge"
],
"chemical_system": "Ge-U-Zr",
"density": 9.195768578061571,
"density_atomic": 0.047910102122645425,
"volume": 375.7036450041719,
"volume_molar": 12.569667968112189,
"formula_full": "Zr6 U4 Ge8",
"formula_reduced": "Zr3(UGe2)2",
"formula_anonymous": "A2B3C4",
"energy": -143.71654357,
"energy_per_atom": -7.984252420555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.71654357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.4858272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.177000Z",
"spacegroup": 14
},
{
"id": "mp-30388",
"created_at": "2022-09-04T14:40:23.882149Z",
"structure_string": "Ho1 In1 Au2\n1.0\n0.000000 3.494644 3.494644\n3.494644 0.000000 3.494644\n3.494644 3.494644 0.000000\nHo In Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"In",
"Au"
],
"chemical_system": "Au-Ho-In",
"density": 13.10584037314596,
"density_atomic": 0.04686203819042961,
"volume": 85.3569361141637,
"volume_molar": 12.850787103045532,
"formula_full": "Ho1 In1 Au2",
"formula_reduced": "HoInAu2",
"formula_anonymous": "ABC2",
"energy": -16.69235349,
"energy_per_atom": -4.1730883725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.69235349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.932000Z",
"spacegroup": 225
},
{
"id": "mp-29889",
"created_at": "2022-09-04T14:40:23.884118Z",
"structure_string": "Tl2 Pd1 Cl4\n1.0\n7.251910 0.000000 0.000000\n0.000000 7.251910 0.000000\n0.000000 0.000000 4.336921\nTl Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n0.772609 0.772609 0.000000 Cl\n0.772609 0.227391 0.000000 Cl\n0.227391 0.772609 0.000000 Cl\n0.227391 0.227391 0.000000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Tl",
"density": 4.78329558528814,
"density_atomic": 0.030691047933545778,
"volume": 228.0795369111165,
"volume_molar": 19.621815367919414,
"formula_full": "Tl2 Pd1 Cl4",
"formula_reduced": "Tl2PdCl4",
"formula_anonymous": "AB2C4",
"energy": -25.56232113,
"energy_per_atom": -3.6517601614285717,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.10632113,
"band_gap": 1.0534,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008039,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.051000Z",
"spacegroup": 123
},
{
"id": "mp-1048235",
"created_at": "2022-09-04T14:40:23.890944Z",
"structure_string": "Mg4 Co4 P8 O28\n1.0\n8.407662 0.000000 0.000000\n0.000000 7.040678 0.000000\n0.000000 3.606978 8.431060\nMg Co P O\n4 4 8 28\ndirect\n0.940067 0.695018 0.181262 Mg\n0.440067 0.304982 0.318738 Mg\n0.559933 0.695018 0.681262 Mg\n0.059933 0.304982 0.818738 Mg\n0.072638 0.232334 0.392037 Co\n0.927362 0.767666 0.607963 Co\n0.572638 0.767666 0.107963 Co\n0.427362 0.232334 0.892037 Co\n0.733677 0.059911 0.759025 P\n0.226601 0.531899 0.031699 P\n0.766323 0.059911 0.259025 P\n0.273399 0.531899 0.531699 P\n0.233677 0.940089 0.740975 P\n0.726601 0.468101 0.468301 P\n0.773399 0.468101 0.968301 P\n0.266323 0.940089 0.240975 P\n0.175105 0.749563 0.898930 O\n0.609787 0.113525 0.313355 O\n0.890213 0.113525 0.813355 O\n0.389189 0.549837 0.103352 O\n0.824895 0.250437 0.101070 O\n0.096803 0.974563 0.621128 O\n0.610811 0.450163 0.896648 O\n0.091559 0.488047 0.153052 O\n0.266750 0.377338 0.450985 O\n0.903197 0.025437 0.378872 O\n0.403197 0.974563 0.121128 O\n0.759010 0.879767 0.203656 O\n0.259010 0.120233 0.296344 O\n0.324895 0.749563 0.398930 O\n0.596803 0.025437 0.878872 O\n0.109787 0.886475 0.186645 O\n0.240990 0.120233 0.796344 O\n0.908441 0.511953 0.846948 O\n0.233250 0.377338 0.950985 O\n0.766750 0.622662 0.049015 O\n0.889189 0.450163 0.396648 O\n0.408441 0.488047 0.653052 O\n0.591559 0.511953 0.346948 O\n0.390213 0.886475 0.686645 O\n0.740990 0.879767 0.703656 O\n0.110811 0.549837 0.603352 O\n0.733250 0.622662 0.549015 O\n0.675105 0.250437 0.601070 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"Co",
"P",
"O"
],
"chemical_system": "Co-Mg-O-P",
"density": 3.4227638708366572,
"density_atomic": 0.08816186519257009,
"volume": 499.0819999541948,
"volume_molar": 6.830777396605625,
"formula_full": "Mg4 Co4 P8 O28",
"formula_reduced": "MgCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -331.83497713,
"energy_per_atom": -7.541704025681819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.04697713,
"band_gap": 2.9851999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.329000Z",
"spacegroup": 14
},
{
"id": "mp-37923",
"created_at": "2022-09-04T14:40:23.892284Z",
"structure_string": "Sm5 Ag1 S8\n1.0\n-4.235633 4.235633 4.268612\n4.235633 -4.235633 4.268612\n4.235633 4.235633 -4.268612\nSm Ag S\n5 1 8\ndirect\n0.632957 0.747061 0.618019 Sm\n0.985062 0.367043 0.114104 Sm\n0.129043 0.014938 0.381981 Sm\n0.500000 0.500000 0.000000 Sm\n0.252939 0.870957 0.885896 Sm\n0.750000 0.250000 0.500000 Ag\n0.380116 0.270967 0.248758 S\n0.358459 0.749491 0.240411 S\n0.868642 0.619884 0.890850 S\n0.509080 0.118048 0.759589 S\n0.250509 0.490920 0.608968 S\n0.881952 0.641541 0.391032 S\n0.729033 0.977791 0.109150 S\n0.022209 0.131358 0.751242 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Ag",
"S"
],
"chemical_system": "Ag-S-Sm",
"density": 6.050666353300868,
"density_atomic": 0.045703000871674025,
"volume": 306.32561829604,
"volume_molar": 13.176685655519885,
"formula_full": "Sm5 Ag1 S8",
"formula_reduced": "Sm5AgS8",
"formula_anonymous": "AB5C8",
"energy": -89.13337937,
"energy_per_atom": -6.366669955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.10937937,
"band_gap": 1.6384999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.595000Z",
"spacegroup": 82
},
{
"id": "mp-1228078",
"created_at": "2022-09-04T14:40:23.895230Z",
"structure_string": "Ba2 Zr1 O6\n1.0\n4.211208 0.000000 0.000000\n0.000000 4.211208 0.000000\n0.000000 0.000000 8.382841\nBa Zr O\n2 1 6\ndirect\n0.000000 0.000000 0.774939 Ba\n0.000000 0.000000 0.225061 Ba\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.750658 O\n0.500000 0.500000 0.249342 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.159033820601749,
"density_atomic": 0.060539369745542984,
"volume": 148.66358929451187,
"volume_molar": 9.947478451315328,
"formula_full": "Ba2 Zr1 O6",
"formula_reduced": "Ba2ZrO6",
"formula_anonymous": "AB2C6",
"energy": -63.67898405,
"energy_per_atom": -7.075442672222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.55698405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9996874,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.984000Z",
"spacegroup": 123
},
{
"id": "mp-540619",
"created_at": "2022-09-04T14:40:23.896135Z",
"structure_string": "K12 Sn4 Te12\n1.0\n13.883245 0.000000 0.000000\n0.000000 9.728075 0.000000\n0.000000 4.402221 8.698226\nK Sn Te\n12 4 12\ndirect\n0.718195 0.054864 0.796518 K\n0.218195 0.945136 0.703482 K\n0.281805 0.945136 0.203482 K\n0.781805 0.054864 0.296518 K\n0.065409 0.276252 0.206532 K\n0.565409 0.723748 0.293468 K\n0.934591 0.723748 0.793468 K\n0.434591 0.276252 0.706532 K\n0.656808 0.501637 0.010941 K\n0.156808 0.498363 0.489059 K\n0.343192 0.498363 0.989059 K\n0.843192 0.501637 0.510941 K\n0.991744 0.845478 0.123822 Sn\n0.491744 0.154522 0.376178 Sn\n0.008256 0.154522 0.876178 Sn\n0.508256 0.845478 0.623822 Sn\n0.025030 0.855618 0.400040 Te\n0.525030 0.144382 0.099960 Te\n0.974970 0.144382 0.599960 Te\n0.474970 0.855618 0.900040 Te\n0.806905 0.739175 0.117901 Te\n0.306905 0.260825 0.382099 Te\n0.193095 0.260825 0.882099 Te\n0.693095 0.739175 0.617901 Te\n0.133720 0.670725 0.074652 Te\n0.633720 0.329275 0.425348 Te\n0.866280 0.329275 0.925348 Te\n0.366280 0.670725 0.574652 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sn",
"Te"
],
"chemical_system": "K-Sn-Te",
"density": 3.498760762030882,
"density_atomic": 0.023834686605192255,
"volume": 1174.7584712903401,
"volume_molar": 25.266288832545886,
"formula_full": "K12 Sn4 Te12",
"formula_reduced": "K3SnTe3",
"formula_anonymous": "AB3C3",
"energy": -95.40381366,
"energy_per_atom": -3.407279059285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.33981366,
"band_gap": 1.0912,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017774,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.740000Z",
"spacegroup": 14
}
]
}