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=4351",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4349",
"results": [
{
"id": "jvasp-101849",
"created_at": "2022-09-04T14:37:08.888558Z",
"updated_at": "2022-09-04T14:37:08.888588Z",
"structure_string": "H6 C12 S4 N2 O2\n1.0\n4.590250 0.043249 0.539146\n1.846374 7.021522 2.394235\n0.139998 0.008705 9.760758\nH C S N O\n6 12 4 2 2\ndirect\n0.527480 0.480654 0.280104 H\n0.527481 0.980653 0.780104 H\n0.855521 0.302881 0.097937 H\n0.855522 0.802880 0.597937 H\n0.857082 0.882492 0.082630 H\n0.857084 0.382492 0.582630 H\n0.618740 0.928122 0.303883 C\n0.618741 0.428122 0.803883 C\n0.900128 0.768469 0.297622 C\n0.900129 0.268468 0.797622 C\n0.221066 0.148296 0.604511 C\n0.221064 0.648296 0.104511 C\n0.526703 0.478446 0.933523 C\n0.646460 0.914153 0.571544 C\n0.646459 0.414153 0.071544 C\n0.474518 0.009254 0.668634 C\n0.474516 0.509255 0.168634 C\n0.526703 0.978446 0.433523 C\n0.413686 0.539753 0.656448 S\n0.413686 0.039754 0.156448 S\n0.195409 0.661995 0.925774 S\n0.195409 0.161996 0.425773 S\n0.994979 0.773016 0.157008 N\n0.994980 0.273016 0.657008 N\n0.024258 0.145411 0.904334 O\n0.024256 0.645411 0.404334 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.7943292711682641,
"density_atomic": 0.0830107107535677,
"volume": 313.21259345900194,
"volume_molar": 7.254655098518326,
"formula_full": "H6 C12 S4 N2 O2",
"formula_reduced": "H3C6S2NO",
"formula_anonymous": "ABC2D3E6",
"energy_above_hull": 5.221475903846153,
"spacegroup": 1
},
{
"id": "jvasp-104146",
"created_at": "2022-09-04T14:37:09.729718Z",
"updated_at": "2022-09-04T14:37:09.729736Z",
"structure_string": "H12 C14\n1.0\n3.798644 0.005315 0.632746\n0.161166 5.251467 1.217908\n0.084045 -0.024208 10.968496\nH C\n12 14\ndirect\n-0.000200 0.437998 0.246114 H\n0.759889 0.389205 0.469898 H\n0.326672 0.294471 0.872241 H\n0.060426 0.597571 0.724086 H\n0.249467 0.638919 0.544565 H\n0.820491 0.548771 0.947869 H\n0.493113 0.692118 0.321714 H\n0.525765 0.709504 0.120382 H\n0.116130 0.832343 0.079837 H\n0.703962 0.154337 0.114140 H\n0.570206 0.347635 0.649376 H\n0.294354 0.277190 0.073579 H\n0.554093 0.916821 0.928760 C\n0.627470 0.169370 0.713005 C\n0.056756 0.261386 0.311769 C\n0.423349 0.108558 0.126460 C\n0.983638 0.009507 0.528618 C\n0.836353 0.977157 0.665348 C\n0.396742 0.878131 0.067508 C\n0.763413 0.725340 0.882205 C\n0.192383 0.817249 0.480951 C\n0.900018 0.753658 0.754071 C\n0.330556 0.846666 0.352970 C\n0.920137 0.233061 0.439904 C\n0.265966 0.069866 0.265207 C\n0.489347 0.139970 0.840989 C\n",
"nsites": 26,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.3690232540489242,
"density_atomic": 0.11892458829032626,
"volume": 218.6259408065147,
"volume_molar": 5.063831497400997,
"formula_full": "H12 C14",
"formula_reduced": "H6C7",
"formula_anonymous": "A6B7",
"energy_above_hull": 5.4491007692307685,
"spacegroup": 2
},
{
"id": "jvasp-34786",
"created_at": "2022-09-04T14:37:08.124027Z",
"updated_at": "2022-09-04T14:37:08.124055Z",
"structure_string": "Al2 Zn2 H8 O4 F10\n1.0\n5.658254 -0.000000 2.998557\n1.772758 5.996645 3.492639\n-0.170962 0.005293 7.160425\nAl Zn H O F\n2 2 8 4 10\ndirect\n0.500000 0.500000 0.000001 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Zn\n0.000001 0.499999 0.500000 Zn\n0.285318 0.700923 0.482371 H\n0.031389 0.982370 0.200924 H\n0.968611 0.017628 0.799077 H\n0.968611 0.799076 0.017630 H\n0.714682 0.299076 0.517629 H\n0.285318 0.482370 0.700923 H\n0.031389 0.200923 0.982371 H\n0.714682 0.517628 0.299077 H\n0.862463 0.931072 0.931074 O\n0.775390 0.431073 0.431074 O\n0.224611 0.568926 0.568926 O\n0.137537 0.068926 0.068926 O\n0.819012 0.410667 0.845307 F\n0.180988 0.589331 0.154693 F\n0.180988 0.154692 0.589332 F\n0.574987 0.089331 0.654693 F\n0.574987 0.654692 0.089332 F\n0.425013 0.910667 0.345307 F\n0.557327 0.250000 0.250000 F\n0.442674 0.749999 0.750000 F\n0.425013 0.345306 0.910668 F\n0.819012 0.845306 0.410669 F\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Al",
"Zn",
"H",
"O",
"F"
],
"chemical_system": "Al-F-H-O-Zn",
"density": 3.0167030143012945,
"density_atomic": 0.10571050535084327,
"volume": 245.95474133538985,
"volume_molar": 5.696823357350416,
"formula_full": "Al2 Zn2 H8 O4 F10",
"formula_reduced": "AlZnH4O2F5",
"formula_anonymous": "ABC2D4E5",
"energy_above_hull": 1.1996601240384617,
"spacegroup": 74
},
{
"id": "jvasp-56803",
"created_at": "2022-09-04T14:37:07.967475Z",
"updated_at": "2022-09-04T14:37:07.967491Z",
"structure_string": "Ba6 Fe6 Se14\n1.0\n5.514801 -9.551917 -0.000000\n5.514801 9.551917 -0.000000\n0.000000 -0.000000 7.103052\nBa Fe Se\n6 6 14\ndirect\n0.814473 0.628946 0.491850 Ba\n0.185527 0.371054 0.991850 Ba\n0.628946 0.814473 0.991850 Ba\n0.185527 0.814473 0.991850 Ba\n0.371054 0.185527 0.491850 Ba\n0.814473 0.185527 0.491850 Ba\n0.744744 0.255256 0.009702 Fe\n0.744744 0.489487 0.009702 Fe\n0.255256 0.510512 0.509702 Fe\n0.489487 0.744744 0.509702 Fe\n0.510512 0.255256 0.009702 Fe\n0.255256 0.744744 0.509702 Fe\n0.543615 0.456384 0.182742 Se\n0.543616 0.087232 0.182742 Se\n0.863671 0.727343 0.936484 Se\n0.727343 0.863671 0.436484 Se\n0.912768 0.456384 0.182742 Se\n0.272657 0.136328 0.936484 Se\n0.136328 0.272657 0.436484 Se\n0.333333 0.666667 0.240165 Se\n0.666667 0.333333 0.740165 Se\n0.136328 0.863672 0.436484 Se\n0.456384 0.543615 0.682742 Se\n0.456384 0.912768 0.682742 Se\n0.087232 0.543616 0.682742 Se\n0.863672 0.136328 0.936484 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 5.024821944312849,
"density_atomic": 0.03474385249096476,
"volume": 748.3338241423105,
"volume_molar": 17.33296778636185,
"formula_full": "Ba6 Fe6 Se14",
"formula_reduced": "Ba3Fe3Se7",
"formula_anonymous": "A3B3C7",
"energy_above_hull": 1.7396813828205129,
"spacegroup": 186
},
{
"id": "jvasp-45360",
"created_at": "2022-09-04T14:37:09.861957Z",
"updated_at": "2022-09-04T14:37:09.861994Z",
"structure_string": "Na16 Ti2 As8\n1.0\n8.416354 -0.000000 4.859184\n2.805452 7.935015 4.859184\n-0.000000 -0.000000 9.718368\nNa Ti As\n16 2 8\ndirect\n-0.000000 0.500000 -0.000000 Na\n0.155647 0.155647 0.594353 Na\n0.155647 0.594353 0.155647 Na\n0.594353 0.155647 0.594353 Na\n0.594353 0.155647 0.155647 Na\n0.405647 0.405647 0.844353 Na\n0.844353 0.405647 0.405647 Na\n0.405647 0.844352 0.405647 Na\n0.155647 0.594353 0.594353 Na\n0.405647 0.844352 0.844353 Na\n0.594353 0.594353 0.155647 Na\n0.844353 0.844352 0.405647 Na\n0.844353 0.405647 0.844353 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.875000 0.875000 0.875000 Ti\n0.125000 0.125000 0.125000 Ti\n0.230374 0.230374 0.808878 As\n0.230374 0.808878 0.230374 As\n0.808878 0.230374 0.230374 As\n0.769625 0.191122 0.769626 As\n0.191122 0.769625 0.769626 As\n0.769625 0.769625 0.191122 As\n0.230374 0.230374 0.230374 As\n0.769625 0.769625 0.769626 As\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Na",
"Ti",
"As"
],
"chemical_system": "As-Na-Ti",
"density": 2.7195311126110004,
"density_atomic": 0.040059752487691856,
"volume": 649.0304703701892,
"volume_molar": 15.032895577301108,
"formula_full": "Na16 Ti2 As8",
"formula_reduced": "Na8TiAs4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.6579790256410258,
"spacegroup": 227
},
{
"id": "jvasp-55743",
"created_at": "2022-09-04T14:37:04.213657Z",
"updated_at": "2022-09-04T14:37:04.213685Z",
"structure_string": "Rb4 Cu2 H8 Cl8 O4\n1.0\n7.572529 -0.000000 0.000000\n-0.000000 7.572529 0.000000\n0.000000 0.000000 8.006481\nRb Cu H Cl O\n4 2 8 8 4\ndirect\n0.500000 0.000000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.000000 0.500000 0.750000 Rb\n0.000000 0.500000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.575630 0.424371 0.819174 H\n0.075629 0.075629 0.319174 H\n0.575630 0.424371 0.180826 H\n0.424371 0.575630 0.819174 H\n0.924371 0.924371 0.319174 H\n0.075629 0.075629 0.680826 H\n0.924371 0.924371 0.680826 H\n0.424371 0.575630 0.180826 H\n0.716514 0.283486 0.000000 Cl\n0.785892 0.785892 0.000000 Cl\n0.783486 0.783486 0.500000 Cl\n0.285892 0.714108 0.500000 Cl\n0.214108 0.214108 0.000000 Cl\n0.216514 0.216514 0.500000 Cl\n0.283486 0.716514 0.000000 Cl\n0.714108 0.285892 0.500000 Cl\n0.500000 0.500000 0.253776 O\n0.000000 0.000000 0.246224 O\n0.500000 0.500000 0.746224 O\n0.000000 0.000000 0.753776 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Rb",
"Cu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-H-O-Rb",
"density": 2.98259515644774,
"density_atomic": 0.056630419689592176,
"volume": 459.1172048964774,
"volume_molar": 10.634109358555186,
"formula_full": "Rb4 Cu2 H8 Cl8 O4",
"formula_reduced": "Rb2CuH4(Cl2O)2",
"formula_anonymous": "AB2C2D4E4",
"energy_above_hull": 1.153993363076923,
"spacegroup": 136
},
{
"id": "jvasp-34903",
"created_at": "2022-09-04T14:37:07.196141Z",
"updated_at": "2022-09-04T14:37:07.196166Z",
"structure_string": "Li8 P4 O14\n1.0\n-5.190008 0.002372 -0.001450\n2.561606 6.626573 0.034622\n-0.004314 -2.047300 -8.287765\nLi P O\n8 4 14\ndirect\n0.252791 0.145080 0.012736 Li\n0.747208 0.854919 0.987264 Li\n0.605297 0.583303 0.241976 Li\n0.394702 0.416696 0.758023 Li\n0.975011 0.325211 0.211262 Li\n0.024987 0.674788 0.788737 Li\n0.949770 0.246190 0.552282 Li\n0.050229 0.753809 0.447718 Li\n0.782789 0.225005 0.848506 P\n0.217210 0.774994 0.151493 P\n0.430180 0.213826 0.371328 P\n0.569818 0.786174 0.628671 P\n0.319594 0.271756 0.532097 O\n0.731347 0.040726 0.682143 O\n0.268651 0.959273 0.317857 O\n0.340323 0.296980 0.237652 O\n0.659675 0.703019 0.762348 O\n0.680405 0.728243 0.467903 O\n0.484837 0.737418 0.121887 O\n0.259796 0.743125 0.620694 O\n0.119781 0.849201 0.015589 O\n0.008388 0.401980 0.795985 O\n0.991610 0.598020 0.204014 O\n0.880218 0.150798 0.984410 O\n0.740203 0.256874 0.379306 O\n0.515162 0.262581 0.878113 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Li",
"P",
"O"
],
"chemical_system": "Li-O-P",
"density": 2.352766595702992,
"density_atomic": 0.09131695736313261,
"volume": 284.72258330517894,
"volume_molar": 6.5947672085177445,
"formula_full": "Li8 P4 O14",
"formula_reduced": "Li4P2O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 2.227340423076923,
"spacegroup": 2
},
{
"id": "jvasp-57540",
"created_at": "2022-09-04T14:37:09.484769Z",
"updated_at": "2022-09-04T14:37:09.484793Z",
"structure_string": "K6 Na4 Li2 Te2 O12\n1.0\n6.806181 0.005823 -0.273505\n-0.379433 7.334741 -1.847574\n0.005438 -0.020394 7.573340\nK Na Li Te O\n6 4 2 2 12\ndirect\n0.776951 0.372254 0.404651 K\n0.435673 0.011082 0.109120 K\n0.244091 0.782725 0.701352 K\n0.276951 0.404650 0.372255 K\n0.935673 0.109120 0.011083 K\n0.744091 0.701351 0.782726 K\n0.895734 0.071319 0.613028 Na\n0.395734 0.613028 0.071320 Na\n0.592730 0.857733 0.431953 Na\n0.092730 0.431953 0.857734 Na\n0.246429 0.033629 0.471898 Li\n0.746429 0.471898 0.033629 Li\n0.497456 0.242989 0.758118 Te\n-0.002544 0.758117 0.242989 Te\n0.509725 0.324412 0.031941 O\n0.598984 0.005487 0.768304 O\n0.899805 0.744243 0.481827 O\n0.221360 0.141715 0.743146 O\n0.098984 0.768304 0.005488 O\n0.721359 0.743145 0.141715 O\n0.009725 0.031941 0.324413 O\n0.495972 0.161553 0.486501 O\n0.995972 0.486501 0.161554 O\n0.272893 0.769942 0.345882 O\n0.399805 0.481826 0.744244 O\n0.772893 0.345881 0.769943 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"K",
"Na",
"Li",
"Te",
"O"
],
"chemical_system": "K-Li-Na-O-Te",
"density": 3.4614458713974634,
"density_atomic": 0.06881181800002031,
"volume": 377.84207358091203,
"volume_molar": 8.751608277517422,
"formula_full": "K6 Na4 Li2 Te2 O12",
"formula_reduced": "K3Na2LiTeO6",
"formula_anonymous": "ABC2D3E6",
"energy_above_hull": 0.991043135897436,
"spacegroup": 9
},
{
"id": "jvasp-34471",
"created_at": "2022-09-04T14:37:07.710970Z",
"updated_at": "2022-09-04T14:37:07.710979Z",
"structure_string": "Sr2 Cu2 H12 O10\n1.0\n0.000000 5.381226 0.028770\n6.236875 0.000000 0.000000\n0.000000 -2.439372 -7.563556\nSr Cu H O\n2 2 12 10\ndirect\n0.000001 0.453929 0.750000 Sr\n0.000000 0.546072 0.250000 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.628584 0.046098 0.607394 H\n0.628583 0.953903 0.107394 H\n0.651942 0.268956 0.964087 H\n0.348059 0.731044 0.035913 H\n0.432563 0.288293 0.143754 H\n0.371418 0.953903 0.392607 H\n0.567439 0.288293 0.356246 H\n0.651942 0.731044 0.464087 H\n0.432563 0.711708 0.643755 H\n0.567439 0.711708 0.856246 H\n0.371418 0.046098 0.892607 H\n0.348060 0.268956 0.535914 H\n0.157268 0.280349 0.505551 O\n0.714393 0.844697 0.056704 O\n0.500001 0.383052 0.250000 O\n0.842733 0.280349 0.994450 O\n0.842733 0.719652 0.494450 O\n0.157268 0.719652 0.005550 O\n0.285608 0.844697 0.443296 O\n0.500001 0.616949 0.750000 O\n0.285608 0.155304 0.943297 O\n0.714393 0.155304 0.556704 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O-Sr",
"density": 3.1087690271415314,
"density_atomic": 0.10260027999468145,
"volume": 253.4106144870928,
"volume_molar": 5.869516886612954,
"formula_full": "Sr2 Cu2 H12 O10",
"formula_reduced": "SrCuH6O5",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 2.403071096923077,
"spacegroup": 13
},
{
"id": "jvasp-54755",
"created_at": "2022-09-04T14:38:11.874650Z",
"updated_at": "2022-09-04T14:38:11.874674Z",
"structure_string": "Ta4 H8 O14\n1.0\n5.289046 5.259036 -0.123259\n-0.118945 5.259036 5.416588\n5.170101 -0.000000 5.293329\nTa H O\n4 8 14\ndirect\n0.514634 0.971348 0.496972 Ta\n0.523843 0.476084 0.002602 Ta\n0.028653 0.485366 0.482954 Ta\n0.523917 0.476158 0.502528 Ta\n0.945647 0.323738 0.926234 H\n0.940272 0.908936 0.332466 H\n-0.020115 0.228791 0.265569 H\n0.201918 0.103690 0.133021 H\n0.676263 0.054354 0.695618 H\n0.771210 0.020115 -0.025756 H\n0.896311 0.798083 0.938628 H\n0.091065 0.059729 0.681674 H\n0.841585 0.411947 0.444317 O\n0.476962 0.775749 0.438439 O\n0.861627 0.395512 0.823944 O\n0.488504 0.396722 0.812394 O\n0.858853 0.800322 0.417707 O\n0.496774 0.768087 0.800674 O\n0.588054 0.158416 0.197848 O\n0.224252 0.523039 0.191149 O\n0.603278 0.511497 0.197620 O\n0.199679 0.141148 0.576880 O\n0.231914 0.503227 0.565534 O\n0.864105 0.953558 0.859454 O\n0.604489 0.138373 0.581083 O\n0.046443 0.135895 0.177116 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"H",
"O"
],
"chemical_system": "H-O-Ta",
"density": 5.270117978042138,
"density_atomic": 0.08632893240176549,
"volume": 301.1736537989236,
"volume_molar": 6.975808216848565,
"formula_full": "Ta4 H8 O14",
"formula_reduced": "Ta2H4O7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 3.677506376923077,
"spacegroup": 9
},
{
"id": "jvasp-50521",
"created_at": "2022-09-04T14:36:48.908171Z",
"updated_at": "2022-09-04T14:36:48.908179Z",
"structure_string": "Er2 Ta6 O18\n1.0\n0.000000 5.243703 0.000531\n7.466619 0.000000 0.000000\n0.000000 -0.354942 -8.259326\nEr Ta O\n2 6 18\ndirect\n0.967285 0.250000 0.565504 Er\n0.032715 0.750000 0.434496 Er\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.528792 0.007978 0.302834 Ta\n0.528792 0.492022 0.302834 Ta\n0.471208 0.992022 0.697166 Ta\n0.471208 0.507978 0.697166 Ta\n0.143248 0.067256 0.782624 O\n0.256281 0.454520 0.466335 O\n0.256281 0.045480 0.466335 O\n0.326894 0.750000 0.651867 O\n0.329306 0.440688 0.117860 O\n0.329306 0.059312 0.117860 O\n0.418164 0.750000 0.312084 O\n0.581836 0.250000 0.687917 O\n0.743719 0.545480 0.533666 O\n0.670694 0.940688 0.882140 O\n0.673106 0.250000 0.348134 O\n0.143248 0.432744 0.782624 O\n0.743719 0.954520 0.533666 O\n0.856752 0.567256 0.217376 O\n0.856752 0.932744 0.217376 O\n0.894322 0.250000 0.022995 O\n0.670694 0.559312 0.882140 O\n0.105678 0.750000 0.977006 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Er",
"Ta",
"O"
],
"chemical_system": "Er-O-Ta",
"density": 8.771656506899976,
"density_atomic": 0.08040231491853246,
"volume": 323.37377383156775,
"volume_molar": 7.490009169638867,
"formula_full": "Er2 Ta6 O18",
"formula_reduced": "ErTa3O9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.832506853846153,
"spacegroup": 11
},
{
"id": "jvasp-48148",
"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.671755621846919,
"density_atomic": 0.09584502191550322,
"volume": 271.2712614633397,
"volume_molar": 6.283206617980752,
"formula_full": "Li4 Co4 Si4 O14",
"formula_reduced": "Li2Co2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.780621807692308,
"spacegroup": 40
}
]
}