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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4472",
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"results": [
{
"id": "jvasp-91469",
"created_at": "2022-09-04T14:35:52.918453Z",
"updated_at": "2022-09-04T14:35:52.918479Z",
"structure_string": "Sr4 Zn4 P8 O28\n1.0\n5.355817 0.000000 -0.010257\n0.000000 8.230330 0.000000\n0.010275 0.000000 12.787693\nSr Zn P O\n4 4 8 28\ndirect\n0.712036 0.662628 0.720335 Sr\n0.787963 0.162628 0.779664 Sr\n0.287964 0.337372 0.279664 Sr\n0.212036 0.837372 0.220336 Sr\n0.668668 0.649949 0.394899 Zn\n0.331331 0.350051 0.605101 Zn\n0.831332 0.149949 0.105101 Zn\n0.168668 0.850051 0.894899 Zn\n0.251314 0.467419 0.836886 P\n0.180511 0.699008 0.518700 P\n0.819489 0.300993 0.481299 P\n0.748686 0.532581 0.163113 P\n0.680511 0.800992 0.018700 P\n0.751315 0.032581 0.336886 P\n0.248685 0.967419 0.663113 P\n0.319488 0.199008 0.981299 P\n0.770928 0.111926 0.452578 O\n0.444831 0.380941 0.767611 O\n0.292407 0.681087 0.408914 O\n0.792407 0.818913 0.908914 O\n0.169653 0.144715 0.651510 O\n0.830347 0.855285 0.348490 O\n0.173258 0.099055 0.899437 O\n0.229071 0.888074 0.547422 O\n0.899209 0.666699 0.526736 O\n0.014998 0.555619 0.201281 O\n0.326741 0.599055 0.600563 O\n0.944832 0.119059 0.267611 O\n0.555169 0.619059 0.232388 O\n0.485002 0.055619 0.298719 O\n0.669653 0.355285 0.151510 O\n0.600791 0.166699 0.973263 O\n0.207592 0.181087 0.091086 O\n0.100791 0.333301 0.473264 O\n0.729072 0.611926 0.047422 O\n0.826742 0.900944 0.100563 O\n0.985002 0.444381 0.798718 O\n0.330346 0.644714 0.848490 O\n0.707592 0.318913 0.591086 O\n0.055168 0.880940 0.732388 O\n0.270928 0.388074 0.952578 O\n0.673258 0.400944 0.399437 O\n0.514998 0.944381 0.701281 O\n0.399209 0.833301 0.026736 O\n",
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],
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"volume": 563.6841821196987,
"volume_molar": 7.714967020250683,
"formula_full": "Sr4 Zn4 P8 O28",
"formula_reduced": "SrZnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.044862019090909,
"spacegroup": 14
},
{
"id": "jvasp-27488",
"created_at": "2022-09-04T14:38:11.431136Z",
"updated_at": "2022-09-04T14:38:11.431164Z",
"structure_string": "Sr6 Zn2 Pt2 O12\n1.0\n6.732853 0.026546 -0.189587\n-0.195747 6.730060 -0.189587\n0.025685 0.026546 6.735473\nSr Zn Pt O\n6 2 2 12\ndirect\n0.885634 0.250001 0.614365 Sr\n0.385634 0.114366 0.749999 Sr\n0.749999 0.385635 0.114365 Sr\n0.114365 0.750000 0.385634 Sr\n0.614365 0.885635 0.249999 Sr\n0.249999 0.614366 0.885634 Sr\n0.749999 0.750001 0.749999 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500001 0.499999 Pt\n0.000000 0.000000 0.000000 Pt\n0.960074 0.093038 0.287388 O\n0.593036 0.460076 0.787388 O\n0.212611 0.406963 0.539924 O\n0.539924 0.212612 0.406962 O\n0.406962 0.539925 0.212611 O\n0.906962 0.712612 0.039924 O\n0.039924 0.906963 0.712610 O\n0.712610 0.039926 0.906962 O\n0.787388 0.593038 0.460074 O\n0.460074 0.787389 0.593036 O\n0.287388 0.960075 0.093037 O\n0.093036 0.287389 0.960074 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Pt-Sr-Zn",
"density": 6.737252084085985,
"density_atomic": 0.07205940369037127,
"volume": 305.3036643840516,
"volume_molar": 8.357189279384352,
"formula_full": "Sr6 Zn2 Pt2 O12",
"formula_reduced": "Sr3ZnPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3149383390909088,
"spacegroup": 167
},
{
"id": "jvasp-34217",
"created_at": "2022-09-04T14:37:12.810012Z",
"updated_at": "2022-09-04T14:37:12.810039Z",
"structure_string": "Sr2 Zn1 Re1 O6\n1.0\n4.853214 -0.000080 -2.774779\n-1.586427 4.586718 -2.774732\n0.022222 0.031253 5.670707\nSr Zn Re O\n2 1 1 6\ndirect\n0.750006 0.250001 0.500006 Sr\n0.249992 0.749998 0.499991 Sr\n-0.000001 0.000001 0.000001 Zn\n0.500000 0.500001 0.000002 Re\n0.259902 0.259920 0.519814 O\n0.740096 0.740079 0.480183 O\n0.305779 0.213649 -0.000008 O\n0.694221 0.786352 0.000009 O\n0.213667 0.694214 0.000004 O\n0.786332 0.305786 -0.000003 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
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"Re",
"O"
],
"chemical_system": "O-Re-Sr-Zn",
"density": 6.832462179565143,
"density_atomic": 0.07869534307758153,
"volume": 127.07232231190015,
"volume_molar": 7.652474116623513,
"formula_full": "Sr2 Zn1 Re1 O6",
"formula_reduced": "Sr2ZnReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0017552020000005,
"spacegroup": 87
},
{
"id": "jvasp-23090",
"created_at": "2022-09-04T14:37:31.331125Z",
"updated_at": "2022-09-04T14:37:31.331144Z",
"structure_string": "Sr6 Zn2 Rh2 O12\n1.0\n6.699790 0.020373 -0.238839\n-0.248230 6.695221 -0.238839\n0.019572 0.020373 6.704016\nSr Zn Rh O\n6 2 2 12\ndirect\n0.884693 0.249999 0.615307 Sr\n0.384693 0.115306 0.750000 Sr\n0.750000 0.384693 0.115307 Sr\n0.115307 0.750000 0.384693 Sr\n0.615307 0.884693 0.250000 Sr\n0.250000 0.615306 0.884693 Sr\n0.750000 0.749999 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.499999 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.091920 0.285638 0.959059 O\n0.785639 0.591920 0.459058 O\n0.540942 0.214361 0.408080 O\n0.408079 0.540941 0.214361 O\n0.214361 0.408079 0.540942 O\n0.714361 0.040941 0.908080 O\n0.908079 0.714361 0.040942 O\n0.040941 0.908079 0.714361 O\n0.459058 0.785638 0.591921 O\n0.591920 0.459058 0.785639 O\n0.959058 0.091920 0.285639 O\n0.285639 0.959058 0.091920 O\n",
"nsites": 22,
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"elements": [
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"Zn",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr-Zn",
"density": 5.820047734243061,
"density_atomic": 0.07313389522715938,
"volume": 300.8181080970232,
"volume_molar": 8.234404500532587,
"formula_full": "Sr6 Zn2 Rh2 O12",
"formula_reduced": "Sr3ZnRhO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-91630",
"created_at": "2022-09-04T14:35:59.663499Z",
"updated_at": "2022-09-04T14:35:59.663525Z",
"structure_string": "Sr2 Zn2 Sb2 F2\n1.0\n4.325945 -0.000000 -0.000000\n-0.000000 4.325945 -0.000000\n-0.000000 -0.000000 9.432895\nSr Zn Sb F\n2 2 2 2\ndirect\n0.750001 0.750001 0.861035 Sr\n0.250000 0.250000 0.138965 Sr\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.750001 0.750001 0.318697 Sb\n0.250000 0.250000 0.681302 Sb\n0.250000 0.750001 0.000000 F\n0.750001 0.250000 0.000000 F\n",
"nsites": 8,
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"elements": [
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"Zn",
"Sb",
"F"
],
"chemical_system": "F-Sb-Sr-Zn",
"density": 5.527201230392381,
"density_atomic": 0.04531927981556276,
"volume": 176.52531180013983,
"volume_molar": 13.288253442041638,
"formula_full": "Sr2 Zn2 Sb2 F2",
"formula_reduced": "SrZnSbF",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-91440",
"created_at": "2022-09-04T14:35:50.606295Z",
"updated_at": "2022-09-04T14:35:50.606327Z",
"structure_string": "Sr4 Zn4 Se8 O24\n1.0\n4.450386 0.055130 0.000000\n-0.744941 9.253571 0.000000\n0.000000 0.000000 15.151905\nSr Zn Se O\n4 4 8 24\ndirect\n0.253337 0.533028 0.882540 Sr\n0.753338 0.033028 0.617460 Sr\n0.746664 0.466972 0.117460 Sr\n0.246664 0.966972 0.382540 Sr\n0.268279 0.787840 0.142161 Zn\n0.768279 0.287840 0.357839 Zn\n0.231722 0.712160 0.642161 Zn\n0.731722 0.212160 0.857840 Zn\n0.193110 0.573265 0.302232 Se\n0.245927 0.287590 0.504896 Se\n0.745927 0.787590 0.995104 Se\n0.754074 0.712410 0.495104 Se\n0.693111 0.073265 0.197768 Se\n0.254074 0.212410 0.004896 Se\n0.806891 0.426735 0.697769 Se\n0.306890 0.926735 0.802232 Se\n0.229653 0.390371 0.035866 O\n0.823098 0.771862 0.108204 O\n0.956550 0.266056 0.684127 O\n0.323098 0.271862 0.391797 O\n0.176903 0.228138 0.891797 O\n0.633202 0.040394 0.786889 O\n0.860421 0.292424 0.489593 O\n0.139581 0.707576 0.510407 O\n0.709199 0.413117 0.810694 O\n0.790803 0.086883 0.310693 O\n0.866799 0.459606 0.286889 O\n0.366799 0.959606 0.213112 O\n0.676904 0.728138 0.608204 O\n0.270348 0.109629 0.535866 O\n0.770349 0.609629 0.964135 O\n0.543452 0.233944 0.184127 O\n0.729653 0.890371 0.464134 O\n0.209198 0.913117 0.689307 O\n0.133202 0.540394 0.713112 O\n0.360420 0.792424 0.010407 O\n0.456550 0.766056 0.815873 O\n0.290803 0.586883 0.189307 O\n0.639581 0.207576 0.989594 O\n0.043451 0.733944 0.315873 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Se-Sr-Zn",
"density": 4.32750988294615,
"density_atomic": 0.0640402217702889,
"volume": 624.6074559747665,
"volume_molar": 9.403685049063865,
"formula_full": "Sr4 Zn4 Se8 O24",
"formula_reduced": "SrZn(SeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6481554443333333,
"spacegroup": 14
},
{
"id": "jvasp-102677",
"created_at": "2022-09-04T14:36:52.124418Z",
"updated_at": "2022-09-04T14:36:52.124437Z",
"structure_string": "Sr2 Zr1 Mo1 O6\n1.0\n4.062535 -0.000000 0.000000\n0.000000 4.062535 0.000000\n-0.000000 -0.000000 8.213250\nSr Zr Mo O\n2 1 1 6\ndirect\n0.499999 0.499999 0.254542 Sr\n0.499999 0.499999 0.745458 Sr\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.254942 O\n0.000000 0.000000 0.745058 O\n-0.000000 0.499999 -0.000000 O\n-0.000000 0.499999 0.500000 O\n0.499999 0.000000 -0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Mo-O-Sr-Zr",
"density": 5.615453196680628,
"density_atomic": 0.07377185882317981,
"volume": 135.55304366084246,
"volume_molar": 8.16319509372019,
"formula_full": "Sr2 Zr1 Mo1 O6",
"formula_reduced": "Sr2ZrMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5233014019999995,
"spacegroup": 123
},
{
"id": "jvasp-99126",
"created_at": "2022-09-04T14:36:09.304112Z",
"updated_at": "2022-09-04T14:36:09.304143Z",
"structure_string": "Sr2 Zr2 P4 O16\n1.0\n5.147244 0.002174 -0.518507\n-0.063749 7.758582 -0.352341\n-0.006451 -0.018027 7.898412\nSr Zr P O\n2 2 4 16\ndirect\n0.696871 0.523475 0.770924 Sr\n0.303128 0.476524 0.229075 Sr\n0.340198 0.973694 0.277581 Zr\n0.659801 0.026305 0.722418 Zr\n0.199453 0.788913 0.873471 P\n0.212666 0.252248 0.629895 P\n0.787333 0.747751 0.370104 P\n0.800547 0.211085 0.126528 P\n0.260803 0.415170 0.541407 O\n0.563141 0.187945 0.231187 O\n0.926339 0.227669 0.668094 O\n0.739196 0.584829 0.458593 O\n0.407815 0.242461 0.794567 O\n0.592184 0.757538 0.205432 O\n0.073660 0.772330 0.331905 O\n0.049663 0.168100 0.242149 O\n0.769684 0.079500 0.974445 O\n0.230315 0.920499 0.025554 O\n0.189609 0.601298 0.922321 O\n0.950336 0.831898 0.757850 O\n0.307450 0.082865 0.534758 O\n0.692549 0.917134 0.465241 O\n0.810390 0.398700 0.077678 O\n0.436858 0.812054 0.768812 O\n",
"nsites": 24,
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"elements": [
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"O"
],
"chemical_system": "O-P-Sr-Zr",
"density": 3.8836272226866986,
"density_atomic": 0.0761017084849382,
"volume": 315.3674270630862,
"volume_molar": 7.913279320387243,
"formula_full": "Sr2 Zr2 P4 O16",
"formula_reduced": "SrZr(PO4)2",
"formula_anonymous": "ABC2D8",
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"spacegroup": 2
},
{
"id": "jvasp-91243",
"created_at": "2022-09-04T14:36:08.689423Z",
"updated_at": "2022-09-04T14:36:08.689445Z",
"structure_string": "Sr4 Zr4 Si8 O28\n1.0\n7.253854 0.000000 -2.918414\n0.000000 8.115250 0.000000\n0.011966 0.000000 10.167016\nSr Zr Si O\n4 4 8 28\ndirect\n0.283417 0.482158 0.294687 Sr\n0.716583 0.982158 0.205313 Sr\n0.283417 0.017842 0.794687 Sr\n0.716583 0.517842 0.705314 Sr\n0.256709 0.489202 0.744792 Zr\n0.743292 0.989202 0.755209 Zr\n0.743291 0.510798 0.255209 Zr\n0.256708 0.010798 0.244792 Zr\n0.066212 0.246929 0.458529 Si\n0.933788 0.746929 0.041471 Si\n0.933788 0.753071 0.541472 Si\n0.675196 0.213394 0.461201 Si\n0.324804 0.713394 0.038800 Si\n0.324804 0.786606 0.538800 Si\n0.675196 0.286606 0.961201 Si\n0.066212 0.253071 0.958529 Si\n0.807886 0.731281 0.374172 O\n0.012241 0.078520 0.870797 O\n0.987759 0.578520 0.629204 O\n0.987759 0.921480 0.129204 O\n0.012241 0.421480 0.370797 O\n0.192113 0.231281 0.125828 O\n0.631121 0.093739 0.906589 O\n0.868370 0.345907 0.939342 O\n0.368879 0.593739 0.593412 O\n0.368879 0.906261 0.093412 O\n0.631121 0.406261 0.406589 O\n0.695847 0.293487 0.126816 O\n0.304152 0.793487 0.373185 O\n0.304152 0.706513 0.873185 O\n0.695848 0.206513 0.626816 O\n0.525164 0.409521 0.850463 O\n0.192113 0.268719 0.625829 O\n0.474836 0.909521 0.649538 O\n0.525164 0.090479 0.350463 O\n0.172831 0.366613 0.882129 O\n0.827169 0.866613 0.617872 O\n0.827169 0.633387 0.117872 O\n0.172831 0.133387 0.382128 O\n0.868370 0.154093 0.439342 O\n0.131630 0.654093 0.060658 O\n0.131630 0.845907 0.560658 O\n0.474836 0.590479 0.149538 O\n0.807887 0.768719 0.874172 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Si-Sr-Zr",
"density": 3.849304466145516,
"density_atomic": 0.07348232004410067,
"volume": 598.7834893290419,
"volume_molar": 8.195360130689656,
"formula_full": "Sr4 Zr4 Si8 O28",
"formula_reduced": "SrZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.6598829554545453,
"spacegroup": 14
},
{
"id": "jvasp-111780",
"created_at": "2022-09-04T14:38:52.913558Z",
"updated_at": "2022-09-04T14:38:52.913594Z",
"structure_string": "Sr4 Zr3 Ti1 O12\n1.0\n5.762668 0.002107 0.003230\n0.003942 5.773380 0.002559\n0.001000 0.003594 8.173257\nSr Zr Ti O\n4 3 1 12\ndirect\n0.503347 0.024836 0.757614 Sr\n0.997074 0.521774 0.758053 Sr\n0.496653 0.975164 0.242387 Sr\n0.002926 0.478226 0.241947 Sr\n-0.000000 -0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Ti\n0.202912 0.702463 0.464673 O\n0.276405 0.237619 0.030386 O\n0.238307 0.723550 0.032275 O\n0.297768 0.202947 0.467452 O\n0.797088 0.297537 0.535328 O\n0.066473 0.984187 0.751088 O\n0.933527 0.015813 0.248913 O\n0.560363 0.509924 0.241084 O\n0.702232 0.797052 0.532549 O\n0.439637 0.490076 0.758916 O\n0.723595 0.762381 0.969614 O\n0.761693 0.276450 0.967725 O\n",
"nsites": 20,
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"elements": [
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"Ti",
"O"
],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.276185983580244,
"density_atomic": 0.0735497702231374,
"volume": 271.92471083626,
"volume_molar": 8.187844423891274,
"formula_full": "Sr4 Zr3 Ti1 O12",
"formula_reduced": "Sr4Zr3TiO12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.569561453666667,
"spacegroup": 2
},
{
"id": "jvasp-112643",
"created_at": "2022-09-04T14:38:41.584226Z",
"updated_at": "2022-09-04T14:38:41.584255Z",
"structure_string": "Sr6 Zr2 Ti4 O18\n1.0\n5.523316 -0.017177 1.254556\n-0.355629 5.511882 1.254556\n-0.001124 -0.001195 12.567586\nSr Zr Ti O\n6 2 4 18\ndirect\n0.419419 0.920587 0.160613 Sr\n0.079413 0.580582 0.839387 Sr\n0.751601 0.248400 0.500000 Sr\n0.580582 0.079413 0.839387 Sr\n0.248401 0.751600 0.500000 Sr\n0.920588 0.419418 0.160613 Sr\n0.334388 0.334387 0.333661 Zr\n0.665613 0.665613 0.666340 Zr\n0.000000 0.000000 0.000000 Ti\n0.165307 0.165307 0.671127 Ti\n0.834694 0.834693 0.328873 Ti\n0.500000 0.500000 0.000000 Ti\n0.750382 0.249618 0.000000 O\n0.921625 0.406907 0.668686 O\n0.593093 0.078376 0.331315 O\n0.249619 0.750381 0.000000 O\n0.063092 0.063092 0.359056 O\n0.392748 0.392748 0.698308 O\n0.739053 0.739052 0.022877 O\n0.607253 0.607252 0.301693 O\n0.955541 0.955540 0.163457 O\n0.260948 0.260948 0.977124 O\n0.709886 0.709886 0.494006 O\n0.044460 0.044460 0.836544 O\n0.381486 0.381485 0.160053 O\n0.078376 0.593093 0.331315 O\n0.290115 0.290114 0.505995 O\n0.618515 0.618515 0.839947 O\n0.936909 0.936908 0.640944 O\n0.406908 0.921624 0.668686 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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],
"chemical_system": "O-Sr-Ti-Zr",
"density": 5.1551953496551715,
"density_atomic": 0.07842199387058171,
"volume": 382.54574411240316,
"volume_molar": 7.679147727279444,
"formula_full": "Sr6 Zr2 Ti4 O18",
"formula_reduced": "Sr3ZrTi2O9",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.416188773111111,
"spacegroup": 12
},
{
"id": "jvasp-27011",
"created_at": "2022-09-04T14:38:35.416984Z",
"updated_at": "2022-09-04T14:38:35.417010Z",
"structure_string": "Ta12 Al8 Co4 C4\n1.0\n7.109739 0.000000 4.104810\n2.369913 6.703126 4.104810\n0.000000 0.000000 8.209619\nTa Al Co C\n12 8 4 4\ndirect\n0.313787 0.936213 0.936213 Ta\n0.063788 0.063788 0.686213 Ta\n0.686212 0.686213 0.063788 Ta\n0.063787 0.686213 0.686213 Ta\n0.063787 0.686213 0.063788 Ta\n0.686212 0.063788 0.686212 Ta\n0.936212 0.313788 0.936213 Ta\n0.936212 0.936213 0.313788 Ta\n0.313787 0.313788 0.936213 Ta\n0.313787 0.936213 0.313788 Ta\n0.686212 0.063788 0.063788 Ta\n0.936212 0.313788 0.313788 Ta\n0.706933 0.706934 0.706934 Al\n0.293066 0.293067 0.620801 Al\n0.293066 0.620802 0.293067 Al\n0.620801 0.293067 0.293067 Al\n0.706933 0.706934 0.379199 Al\n0.379198 0.706934 0.706934 Al\n0.293066 0.293067 0.293067 Al\n0.706933 0.379199 0.706933 Al\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.500000 -0.000000 -0.000000 C\n0.000000 0.000000 0.000000 C\n-0.000000 -0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Al-C-Co-Ta",
"density": 11.336248051392719,
"density_atomic": 0.07156554582271987,
"volume": 391.24972328668883,
"volume_molar": 8.414860378369609,
"formula_full": "Ta12 Al8 Co4 C4",
"formula_reduced": "Ta3Al2CoC",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 5.271764871428571,
"spacegroup": 227
}
]
}