HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4344",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4342",
"results": [
{
"id": "jvasp-44541",
"created_at": "2022-09-04T14:38:31.932221Z",
"updated_at": "2022-09-04T14:38:31.932230Z",
"structure_string": "K6 Be2 P2 C2 O14\n1.0\n0.000000 5.275826 0.021828\n8.063250 0.000000 0.000000\n0.000000 -0.665200 -8.970031\nK Be P C O\n6 2 2 2 14\ndirect\n0.203101 0.750000 0.079916 K\n0.737282 0.982398 0.296514 K\n0.737282 0.517602 0.296514 K\n0.262719 0.482398 0.703486 K\n0.262719 0.017602 0.703486 K\n0.796900 0.250000 0.920083 K\n0.211098 0.250000 0.372690 Be\n0.788903 0.750000 0.627310 Be\n0.736669 0.250000 0.561880 P\n0.263331 0.750000 0.438119 P\n0.341136 0.250000 0.101862 C\n0.658865 0.750000 0.898138 C\n0.428547 0.750000 0.844179 O\n0.758783 0.091311 0.655461 O\n0.758783 0.408689 0.655461 O\n0.471624 0.250000 0.468739 O\n0.046071 0.750000 0.548856 O\n0.953930 0.250000 0.451144 O\n0.718929 0.750000 0.040519 O\n0.241218 0.591311 0.344539 O\n0.241218 0.908689 0.344539 O\n0.571454 0.250000 0.155820 O\n0.156893 0.250000 0.195004 O\n0.843107 0.750000 0.804996 O\n0.528376 0.750000 0.531261 O\n0.281072 0.250000 0.959481 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"K",
"Be",
"P",
"C",
"O"
],
"chemical_system": "Be-C-K-O-P",
"density": 2.448882922015513,
"density_atomic": 0.06815725405016493,
"volume": 381.47076730619966,
"volume_molar": 8.835656371319772,
"formula_full": "K6 Be2 P2 C2 O14",
"formula_reduced": "K3BePCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.1864453923076925,
"spacegroup": 11
},
{
"id": "jvasp-26005",
"created_at": "2022-09-04T14:38:35.427338Z",
"updated_at": "2022-09-04T14:38:35.427360Z",
"structure_string": "Ti1 Mn1 H12 O6 F6\n1.0\n6.479960 0.002749 -0.679921\n-0.755280 6.435795 -0.679921\n0.002444 0.002749 6.515533\nTi Mn H O F\n1 1 12 6 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Mn\n0.806825 0.588755 0.949130 H\n0.411245 0.050870 0.193175 H\n0.050869 0.193174 0.411245 H\n0.193174 0.411245 0.050870 H\n0.675866 0.190629 0.819328 H\n0.190628 0.819328 0.675866 H\n0.819328 0.675866 0.190629 H\n0.324133 0.809371 0.180672 H\n0.809371 0.180672 0.324134 H\n0.180671 0.324134 0.809371 H\n0.588754 0.949130 0.806825 H\n0.949130 0.806825 0.588755 H\n0.694982 0.059391 0.878451 O\n0.878451 0.694982 0.059390 O\n0.305018 0.940609 0.121549 O\n0.940609 0.121549 0.305018 O\n0.121548 0.305018 0.940609 O\n0.059390 0.878451 0.694982 O\n0.656424 0.431075 0.741137 F\n0.431075 0.741137 0.656424 F\n0.741137 0.656424 0.431075 F\n0.343575 0.568924 0.258863 F\n0.568924 0.258863 0.343575 F\n0.258862 0.343575 0.568924 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Ti",
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O-Ti",
"density": 1.9851660085077159,
"density_atomic": 0.09567281536732383,
"volume": 271.75953691940856,
"volume_molar": 6.2945160930811355,
"formula_full": "Ti1 Mn1 H12 O6 F6",
"formula_reduced": "TiMnH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy_above_hull": 2.520441471912025,
"spacegroup": 148
},
{
"id": "jvasp-112604",
"created_at": "2022-09-04T14:38:42.571078Z",
"updated_at": "2022-09-04T14:38:42.571105Z",
"structure_string": "Ca4 Al6 O16\n1.0\n7.346197 -0.000000 -2.597273\n-3.673098 6.361993 -2.597273\n-0.000000 -0.000000 7.791818\nCa Al O\n4 6 16\ndirect\n0.338868 0.338868 0.338868 Ca\n0.661132 0.000000 0.000000 Ca\n-0.000000 0.661132 0.000000 Ca\n0.000000 0.000000 0.661132 Ca\n0.500000 0.750000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750000 Al\n0.750000 0.250000 0.500001 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.500000 0.250000 Al\n0.562754 0.286960 0.562755 O\n0.171811 0.000000 0.000000 O\n0.828189 0.828189 0.828190 O\n0.275794 0.713040 0.275795 O\n0.437246 0.000000 0.724206 O\n0.724206 0.000000 0.437246 O\n0.724206 0.437246 0.000000 O\n-0.000000 0.437246 0.724206 O\n0.275794 0.275794 0.713040 O\n-0.000000 0.724205 0.437246 O\n0.562754 0.562754 0.286960 O\n-0.000000 0.171810 0.000000 O\n0.713040 0.275794 0.275795 O\n0.286960 0.562754 0.562755 O\n0.437246 0.724205 0.000000 O\n0.000000 0.000000 0.171811 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Al",
"O"
],
"chemical_system": "Al-Ca-O",
"density": 2.63649129610928,
"density_atomic": 0.0713968071692974,
"volume": 364.16194268111076,
"volume_molar": 8.434747993310388,
"formula_full": "Ca4 Al6 O16",
"formula_reduced": "Ca2Al3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.0050051723076923,
"spacegroup": 217
},
{
"id": "jvasp-116519",
"created_at": "2022-09-04T14:38:31.980672Z",
"updated_at": "2022-09-04T14:38:31.980708Z",
"structure_string": "Li4 Fe6 F16\n1.0\n5.222541 0.035805 0.446676\n0.070879 5.532184 1.308975\n0.003615 -0.620812 9.901336\nLi Fe F\n4 6 16\ndirect\n0.303113 0.212869 0.801077 Li\n0.803753 0.900297 0.806443 Li\n0.196246 0.099703 0.193557 Li\n0.696887 0.787132 0.198923 Li\n0.752336 0.340134 -0.000547 Fe\n0.739956 0.176901 0.485226 Fe\n0.247664 0.659866 0.000547 Fe\n0.707357 0.603115 0.511611 Fe\n0.260044 0.823100 0.514774 Fe\n0.292642 0.396886 0.488390 Fe\n0.112302 0.151899 0.385485 F\n0.873644 0.077469 0.132182 F\n0.373683 0.841397 0.131522 F\n0.588260 0.920341 0.382857 F\n0.060565 0.665157 0.385034 F\n0.601240 0.456959 0.340044 F\n0.887697 0.848101 0.614516 F\n0.126356 0.922532 0.867819 F\n0.939434 0.334843 0.614967 F\n0.411739 0.079660 0.617144 F\n0.626316 0.158604 0.868478 F\n0.400493 0.352256 0.105383 F\n0.599506 0.647744 0.894617 F\n0.092920 0.419615 0.893344 F\n0.398759 0.543041 0.659956 F\n0.907079 0.580385 0.106656 F\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.8147176239948695,
"density_atomic": 0.08957473887840064,
"volume": 290.2604051717692,
"volume_molar": 6.723034680765485,
"formula_full": "Li4 Fe6 F16",
"formula_reduced": "Li2Fe3F8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 0.8125891353846153,
"spacegroup": 2
},
{
"id": "jvasp-21561",
"created_at": "2022-09-04T14:38:35.469234Z",
"updated_at": "2022-09-04T14:38:35.469264Z",
"structure_string": "Nb8 Cr2 S16\n1.0\n3.351594 -5.805132 0.000000\n3.351594 5.805132 -0.000000\n0.000000 0.000000 12.005228\nNb Cr S\n8 2 16\ndirect\n0.506450 0.012901 0.750000 Nb\n0.493549 0.506450 0.250000 Nb\n0.012901 0.506450 0.250000 Nb\n0.987098 0.493548 0.750000 Nb\n0.506450 0.493549 0.750000 Nb\n0.493548 0.987098 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.333332 0.666666 0.385001 S\n0.666666 0.333332 0.885001 S\n0.666666 0.333332 0.615000 S\n0.333332 0.666666 0.115000 S\n0.667014 0.833506 0.881543 S\n0.332985 0.166493 0.381543 S\n0.833506 0.166492 0.381543 S\n0.332985 0.166493 0.118457 S\n0.166492 0.833506 0.618457 S\n0.166493 0.332985 0.881543 S\n0.667014 0.833506 0.618457 S\n0.833506 0.667014 0.381543 S\n0.833506 0.667014 0.118457 S\n0.833506 0.166492 0.118457 S\n0.166493 0.332985 0.618457 S\n0.166492 0.833506 0.881543 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"S"
],
"chemical_system": "Cr-Nb-S",
"density": 4.835201003830979,
"density_atomic": 0.05565567267510248,
"volume": 467.1581305247808,
"volume_molar": 10.820353919994936,
"formula_full": "Nb8 Cr2 S16",
"formula_reduced": "Nb4CrS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.870525,
"spacegroup": 194
},
{
"id": "jvasp-112559",
"created_at": "2022-09-04T14:38:42.182878Z",
"updated_at": "2022-09-04T14:38:42.182906Z",
"structure_string": "Th2 B8 O16\n1.0\n7.645317 -0.005614 3.378387\n6.482821 4.052645 3.378387\n-0.016916 -0.004846 7.326590\nTh B O\n2 8 16\ndirect\n0.192642 0.807357 0.750001 Th\n0.807357 0.192644 0.250000 Th\n0.452724 0.829556 0.008693 B\n0.547275 0.170445 0.991307 B\n0.829554 0.452726 0.508693 B\n0.170445 0.547276 0.491307 B\n0.000437 0.607650 0.203539 B\n0.607649 0.000437 0.703539 B\n0.999562 0.392351 0.796462 B\n0.392349 0.999564 0.296462 B\n0.935447 0.329215 0.703782 O\n0.708725 0.187468 0.986911 O\n0.812532 0.291275 0.513090 O\n0.329213 0.935448 0.203782 O\n0.064552 0.670786 0.296219 O\n0.670785 0.064553 0.796219 O\n0.506509 0.808332 0.491053 O\n0.070589 0.361724 0.332804 O\n0.493490 0.191669 0.508948 O\n0.808330 0.506510 0.991053 O\n0.638275 0.929412 0.167197 O\n0.187467 0.708726 0.486911 O\n0.361724 0.070589 0.832804 O\n0.929410 0.638277 0.667197 O\n0.191668 0.493491 0.008948 O\n0.291274 0.812533 0.013090 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Th",
"B",
"O"
],
"chemical_system": "B-O-Th",
"density": 5.886508176629275,
"density_atomic": 0.11427422187862483,
"volume": 227.52287937357934,
"volume_molar": 5.269903098877675,
"formula_full": "Th2 B8 O16",
"formula_reduced": "Th(BO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.607457225641026,
"spacegroup": 15
},
{
"id": "jvasp-19164",
"created_at": "2022-09-04T14:38:35.736143Z",
"updated_at": "2022-09-04T14:38:35.736157Z",
"structure_string": "Ta4 Zn4 Sn2 O16\n1.0\n5.433725 0.001451 -0.040195\n-0.002083 5.938185 -0.001524\n-0.344574 -2.967852 10.450940\nTa Zn Sn O\n4 4 2 16\ndirect\n0.711971 0.283627 0.250764 Ta\n0.785683 0.032992 0.749213 Ta\n0.285689 0.716754 0.749228 Ta\n0.211975 0.967380 0.250771 Ta\n0.778517 0.431089 0.561044 Zn\n0.719113 0.869962 0.438938 Zn\n0.219152 0.569310 0.438948 Zn\n0.278542 0.130432 0.561048 Zn\n0.248817 0.311184 0.000143 Sn\n0.748833 0.689165 -0.000149 Sn\n0.850143 0.547640 0.397887 O\n0.647528 0.149804 0.602095 O\n0.147519 0.452752 0.602095 O\n0.350130 0.850600 0.397897 O\n0.085418 0.931243 0.637942 O\n0.412275 0.293197 0.362084 O\n0.112611 0.682899 0.139163 O\n0.981813 0.833838 0.839261 O\n0.885051 0.317457 0.860835 O\n0.612526 0.456383 0.139146 O\n0.515755 0.994492 0.160701 O\n0.912240 0.069156 0.362047 O\n0.481908 0.005874 0.839291 O\n0.015835 0.166506 0.160713 O\n0.385144 0.543977 0.860835 O\n0.585374 0.707197 0.637891 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ta",
"Zn",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ta-Zn",
"density": 7.2845179324729346,
"density_atomic": 0.07712665372447713,
"volume": 337.10784462244294,
"volume_molar": 7.808118813909848,
"formula_full": "Ta4 Zn4 Sn2 O16",
"formula_reduced": "Ta2Zn2SnO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.654589146153846,
"spacegroup": 15
},
{
"id": "jvasp-112554",
"created_at": "2022-09-04T14:38:42.173594Z",
"updated_at": "2022-09-04T14:38:42.173604Z",
"structure_string": "Na2 Ca2 Be4 B4 O12 F2\n1.0\n4.645623 0.006918 0.006006\n-2.326351 4.021189 0.006006\n0.011625 0.020190 14.149572\nNa Ca Be B O F\n2 2 4 4 12 2\ndirect\n0.110851 0.119690 0.362721 Na\n0.119689 0.110851 0.862721 Na\n0.114577 0.096296 0.611792 Ca\n0.096296 0.114578 0.111793 Ca\n0.740945 0.421396 0.474075 Be\n0.421395 0.740946 0.974075 Be\n0.792115 0.428663 0.249035 Be\n0.428662 0.792116 0.749035 Be\n0.771765 0.408249 0.000555 B\n0.408248 0.771765 0.500555 B\n0.475678 0.780417 0.222804 B\n0.780416 0.475679 0.722804 B\n0.747942 0.755679 0.731701 O\n0.089778 0.525450 0.695494 O\n0.525450 0.089779 0.195494 O\n0.505359 0.167635 0.735857 O\n0.167634 0.505360 0.235857 O\n0.755678 0.747944 0.231701 O\n0.444103 0.495356 0.495572 O\n0.099977 0.742468 0.485732 O\n0.079870 0.671758 0.025186 O\n0.671757 0.079871 0.525186 O\n0.495354 0.444104 0.995572 O\n0.742466 0.099978 0.985732 O\n0.698875 0.311705 0.361076 F\n0.311704 0.698876 0.861076 F\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-Ca-F-Na-O",
"density": 2.7330115023065726,
"density_atomic": 0.09827871243413863,
"volume": 264.5537304675605,
"volume_molar": 6.127614628687501,
"formula_full": "Na2 Ca2 Be4 B4 O12 F2",
"formula_reduced": "NaCaBe2B2O6F",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 2.210092159166667,
"spacegroup": 9
},
{
"id": "jvasp-54752",
"created_at": "2022-09-04T14:38:34.494092Z",
"updated_at": "2022-09-04T14:38:34.494112Z",
"structure_string": "Ta4 H8 O14\n1.0\n5.187499 5.187492 -0.000000\n0.000001 5.187491 5.187489\n5.187499 0.000000 5.187491\nTa H O\n4 8 14\ndirect\n0.500000 -0.000000 0.500000 Ta\n0.500000 0.500001 0.000000 Ta\n-0.000000 0.500000 0.499999 Ta\n0.500000 0.500000 0.500001 Ta\n0.066282 0.301154 0.066283 H\n0.301155 0.066282 0.066282 H\n0.066282 0.066283 0.301154 H\n0.066283 0.066282 0.066282 H\n0.933718 0.933718 0.933718 H\n0.698846 0.933718 0.933719 H\n0.933718 0.698846 0.933719 H\n0.933718 0.933718 0.698847 H\n0.822748 0.427250 0.427252 O\n0.427252 0.822747 0.427253 O\n0.822747 0.427253 0.822747 O\n0.427252 0.427252 0.822749 O\n0.822748 0.822747 0.427253 O\n0.427250 0.822749 0.822749 O\n0.572748 0.177251 0.177252 O\n0.177252 0.572747 0.177252 O\n0.572747 0.572748 0.177253 O\n0.177252 0.177250 0.572749 O\n0.177252 0.572748 0.572748 O\n0.875000 0.875000 0.875001 O\n0.572747 0.177251 0.572749 O\n0.124999 0.125000 0.125000 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"H",
"O"
],
"chemical_system": "H-O-Ta",
"density": 5.685054924942724,
"density_atomic": 0.09312594601497559,
"volume": 279.1917946886568,
"volume_molar": 6.46666264096966,
"formula_full": "Ta4 H8 O14",
"formula_reduced": "Ta2H4O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 3.7142640692307687,
"spacegroup": 227
},
{
"id": "jvasp-56707",
"created_at": "2022-09-04T14:38:33.017034Z",
"updated_at": "2022-09-04T14:38:33.017067Z",
"structure_string": "Li2 Mo4 As2 O18\n1.0\n5.490971 0.000000 0.000000\n0.000000 7.635231 0.000000\n0.000000 0.000000 8.898410\nLi Mo As O\n2 4 2 18\ndirect\n0.000000 0.500000 0.389930 Li\n0.500000 0.000000 0.610070 Li\n0.500000 0.209580 0.263287 Mo\n0.500000 0.790420 0.263287 Mo\n0.000000 0.709580 0.736712 Mo\n0.000000 0.290420 0.736712 Mo\n0.000000 0.000000 0.043813 As\n0.500000 0.500000 0.956187 As\n0.000000 0.500000 0.613330 O\n0.759239 0.500000 0.851201 O\n0.500000 0.308610 0.058642 O\n0.500000 0.691390 0.058642 O\n0.744571 0.318979 0.335659 O\n0.500000 0.000000 0.386670 O\n0.259240 0.000000 0.148799 O\n0.240760 0.500000 0.851201 O\n0.000000 0.191390 0.941358 O\n0.744571 0.681020 0.335659 O\n0.755429 0.818979 0.664341 O\n0.255429 0.681020 0.335659 O\n0.244571 0.818979 0.664341 O\n0.755429 0.181021 0.664341 O\n0.255429 0.318979 0.335659 O\n0.000000 0.808610 0.941358 O\n0.244571 0.181021 0.664341 O\n0.740760 0.000000 0.148799 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mo",
"As",
"O"
],
"chemical_system": "As-Li-Mo-O",
"density": 3.71876300027223,
"density_atomic": 0.0696930714405996,
"volume": 373.0643443109,
"volume_molar": 8.640946130682098,
"formula_full": "Li2 Mo4 As2 O18",
"formula_reduced": "LiMo2AsO9",
"formula_anonymous": "ABC2D9",
"energy_above_hull": 3.320456542307692,
"spacegroup": 59
},
{
"id": "jvasp-40245",
"created_at": "2022-09-04T14:38:31.303275Z",
"updated_at": "2022-09-04T14:38:31.303292Z",
"structure_string": "Rb2 Zn2 H4 Se4 Br2 O12\n1.0\n0.000000 6.510348 0.011376\n6.132864 0.000000 0.000000\n0.000000 -2.430922 -10.564017\nRb Zn H Se Br O\n2 2 4 4 2 12\ndirect\n0.000000 0.833424 0.250000 Rb\n0.000000 0.166575 0.750000 Rb\n0.500000 0.451325 0.250000 Zn\n0.500000 0.548675 0.750000 Zn\n0.071595 0.344074 0.091298 H\n0.928406 0.344074 0.408701 H\n0.071595 0.655925 0.591298 H\n0.928406 0.655925 0.908702 H\n0.705357 0.311747 0.013766 Se\n0.294643 0.311747 0.486234 Se\n0.705358 0.688252 0.513766 Se\n0.294643 0.688252 0.986234 Se\n0.500000 0.951541 0.750000 Br\n0.500000 0.048458 0.250000 Br\n0.968009 0.217109 0.078936 O\n0.683972 0.520509 0.115086 O\n0.242698 0.547554 0.114957 O\n0.757302 0.547554 0.385043 O\n0.316029 0.520509 0.384914 O\n0.031991 0.217109 0.421064 O\n0.968009 0.782891 0.578936 O\n0.683972 0.479491 0.615086 O\n0.242698 0.452445 0.614957 O\n0.757303 0.452445 0.885043 O\n0.316029 0.479491 0.884914 O\n0.031992 0.782891 0.921064 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Rb",
"Zn",
"H",
"Se",
"Br",
"O"
],
"chemical_system": "Br-H-O-Rb-Se-Zn",
"density": 3.8338060984010807,
"density_atomic": 0.06166679550265065,
"volume": 421.62074075800535,
"volume_molar": 9.765613262231449,
"formula_full": "Rb2 Zn2 H4 Se4 Br2 O12",
"formula_reduced": "RbZnH2Se2BrO6",
"formula_anonymous": "ABCD2E2F6",
"energy_above_hull": 1.7815255567948711,
"spacegroup": 13
},
{
"id": "jvasp-5488",
"created_at": "2022-09-04T14:38:35.773660Z",
"updated_at": "2022-09-04T14:38:35.773698Z",
"structure_string": "Ta4 Zn6 O16\n1.0\n5.793311 -0.239197 2.103182\n-0.154079 5.796200 2.103182\n-0.215390 -0.212250 9.584435\nTa Zn O\n4 6 16\ndirect\n0.223968 0.939338 0.872344 Ta\n0.776032 0.060662 0.127656 Ta\n0.939338 0.223967 0.372344 Ta\n0.060662 0.776032 0.627656 Ta\n0.365906 0.318716 0.494418 Zn\n0.681283 0.634093 0.005582 Zn\n0.634094 0.681283 0.505582 Zn\n0.318716 0.365906 0.994418 Zn\n0.762335 0.237665 0.750000 Zn\n0.237665 0.762335 0.250000 Zn\n0.985356 0.715807 0.855539 O\n0.284193 0.014644 0.644462 O\n0.141443 0.938601 0.395856 O\n0.820305 0.573962 0.645452 O\n0.938601 0.141443 0.895856 O\n0.715807 0.985356 0.355539 O\n0.014644 0.284193 0.144461 O\n0.420490 0.691629 0.908043 O\n0.308371 0.579511 0.591957 O\n0.579511 0.308371 0.091957 O\n0.691629 0.420490 0.408043 O\n0.573962 0.820305 0.145452 O\n0.179695 0.426037 0.354548 O\n0.426037 0.179695 0.854548 O\n0.858557 0.061399 0.604144 O\n0.061399 0.858557 0.104144 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Zn",
"O"
],
"chemical_system": "O-Ta-Zn",
"density": 6.971053819249585,
"density_atomic": 0.0795415231040352,
"volume": 326.87329818909393,
"volume_molar": 7.57106543223145,
"formula_full": "Ta4 Zn6 O16",
"formula_reduced": "Ta2Zn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.4612605846153848,
"spacegroup": 15
}
]
}