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=spacegroup&page=610",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=608",
"results": [
{
"id": "jvasp-54370",
"created_at": "2022-09-04T14:37:36.238119Z",
"updated_at": "2022-09-04T14:37:36.238147Z",
"structure_string": "Al4 Tl4 I16\n1.0\n0.000000 8.051339 0.084771\n7.813240 0.000000 0.000000\n0.000000 -1.677126 -15.940949\nAl Tl I\n4 4 16\ndirect\n0.243368 0.141712 0.638682 Al\n0.756631 0.641712 0.861318 Al\n0.243368 0.358288 0.138682 Al\n0.756631 0.858288 0.361318 Al\n0.743466 0.506292 0.141539 Tl\n0.743466 0.993708 0.641539 Tl\n0.256533 0.493708 0.858462 Tl\n0.256534 0.006292 0.358461 Tl\n0.137907 0.655220 0.088966 I\n0.862093 0.155220 0.411034 I\n0.421434 0.233493 0.030170 I\n0.574101 0.893631 0.219881 I\n0.992163 0.855682 0.841350 I\n0.578565 0.733493 0.469830 I\n0.007837 0.144317 0.158650 I\n0.992163 0.644317 0.341350 I\n0.137907 0.844780 0.588966 I\n0.007837 0.355682 0.658650 I\n0.862092 0.344780 0.911034 I\n0.425899 0.106369 0.780119 I\n0.574100 0.606369 0.719881 I\n0.421434 0.266507 0.530170 I\n0.578565 0.766507 0.969830 I\n0.425899 0.393631 0.280119 I\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Al",
"Tl",
"I"
],
"chemical_system": "Al-I-Tl",
"density": 4.9001713328512695,
"density_atomic": 0.023959576413898308,
"volume": 1001.6871577945863,
"volume_molar": 25.134587757180537,
"formula_full": "Al4 Tl4 I16",
"formula_reduced": "AlTlI4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-29832",
"created_at": "2022-09-04T14:37:36.789695Z",
"updated_at": "2022-09-04T14:37:36.789720Z",
"structure_string": "As12 H4 O24\n1.0\n11.021712 0.000000 -6.254784\n0.000000 4.620454 0.000000\n-0.220549 0.000000 11.251620\nAs H O\n12 4 24\ndirect\n0.953902 0.213867 0.633035 As\n0.046098 0.713867 0.866965 As\n0.046098 0.786132 0.366965 As\n0.953902 0.286133 0.133035 As\n0.443189 0.537334 0.634445 As\n0.556811 0.037335 0.865555 As\n0.556811 0.462665 0.365555 As\n0.443189 0.962664 0.134445 As\n0.240703 0.360049 0.721105 As\n0.759297 0.860048 0.778895 As\n0.759297 0.639951 0.278895 As\n0.240703 0.139951 0.221105 As\n0.275118 0.674675 0.319283 H\n0.724882 0.174675 0.180717 H\n0.724882 0.325324 0.680717 H\n0.275118 0.825324 0.819283 H\n0.664222 0.593592 0.678499 O\n0.335778 0.093592 0.821501 O\n0.233140 0.868389 0.323982 O\n0.766860 0.368389 0.176019 O\n0.766860 0.131610 0.676019 O\n0.233140 0.631610 0.823982 O\n0.486986 0.336203 0.185410 O\n0.513014 0.836203 0.314590 O\n0.513014 0.663796 0.814590 O\n0.486986 0.163796 0.685410 O\n0.282080 0.987828 0.109244 O\n0.045026 0.417316 0.311547 O\n0.717920 0.012171 0.890756 O\n0.282080 0.512170 0.609244 O\n0.091950 0.259672 0.108725 O\n0.908050 0.759671 0.391275 O\n0.908050 0.740327 0.891275 O\n0.091950 0.240328 0.608725 O\n0.664222 0.906407 0.178500 O\n0.954974 0.917316 0.188453 O\n0.954974 0.582683 0.688453 O\n0.045026 0.082683 0.811547 O\n0.717920 0.487829 0.390756 O\n0.335778 0.406407 0.321501 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"As",
"H",
"O"
],
"chemical_system": "As-H-O",
"density": 3.7719227487733353,
"density_atomic": 0.07059424572788112,
"volume": 566.6184203481339,
"volume_molar": 8.530639711363277,
"formula_full": "As12 H4 O24",
"formula_reduced": "As3HO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.754091625,
"spacegroup": 14
},
{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"H",
"Pt",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Pt",
"density": 3.464620513129578,
"density_atomic": 0.0936841069053421,
"volume": 320.22507329137306,
"volume_molar": 6.428134887473218,
"formula_full": "H16 Pt2 N4 Cl4 O4",
"formula_reduced": "H8PtN2(ClO)2",
"formula_anonymous": "AB2C2D2E8",
"energy_above_hull": 3.1506182023333333,
"spacegroup": 14
},
{
"id": "jvasp-25776",
"created_at": "2022-09-04T14:37:36.937972Z",
"updated_at": "2022-09-04T14:37:36.937996Z",
"structure_string": "Li8 Al4 B4 O16\n1.0\n0.000000 6.289959 -0.051089\n5.077885 0.000000 0.000000\n0.000000 -1.044724 -10.259528\nLi Al B O\n8 4 4 16\ndirect\n0.773956 0.327173 0.926913 Li\n0.226045 0.827172 0.573088 Li\n0.773956 0.172827 0.426913 Li\n0.896208 0.361120 0.210603 Li\n0.103793 0.861119 0.289398 Li\n0.103793 0.638879 0.789398 Li\n0.896208 0.138880 0.710603 Li\n0.226045 0.672826 0.073088 Li\n0.501845 0.848552 0.842589 Al\n0.501845 0.651447 0.342589 Al\n0.498156 0.348552 0.657411 Al\n0.498155 0.151447 0.157411 Al\n0.799915 0.821406 0.059499 B\n0.799916 0.678592 0.559499 B\n0.200085 0.321407 0.440501 B\n0.200086 0.178593 0.940501 B\n0.949139 0.798459 0.641581 O\n0.601916 0.357150 0.284395 O\n0.050862 0.298460 0.858419 O\n0.398085 0.857149 0.215605 O\n0.398085 0.642849 0.715605 O\n0.698721 0.808688 0.451383 O\n0.262360 0.912971 0.921811 O\n0.050862 0.201540 0.358419 O\n0.949139 0.701539 0.141581 O\n0.301279 0.191311 0.548617 O\n0.737641 0.087028 0.078189 O\n0.262360 0.587027 0.421811 O\n0.698722 0.691310 0.951383 O\n0.737641 0.412972 0.578189 O\n0.301279 0.308689 0.048617 O\n0.601916 0.142850 0.784395 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Li-O",
"density": 2.34272193643681,
"density_atomic": 0.09757372130154589,
"volume": 327.9571545816713,
"volume_molar": 6.171887962937198,
"formula_full": "Li8 Al4 B4 O16",
"formula_reduced": "Li2AlBO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.157153672916667,
"spacegroup": 14
},
{
"id": "jvasp-42719",
"created_at": "2022-09-04T14:38:01.013582Z",
"updated_at": "2022-09-04T14:38:01.013602Z",
"structure_string": "Fe6 O8 F4\n1.0\n0.000000 4.505710 0.004758\n4.511689 0.000000 0.000000\n0.000000 -4.435895 -8.937650\nFe O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.309522 0.026570 0.346572 Fe\n0.690477 0.973430 0.653428 Fe\n0.690477 0.526570 0.153428 Fe\n0.309521 0.473430 0.846572 Fe\n-0.000001 0.500000 0.500000 Fe\n0.294844 0.789604 0.501365 O\n0.978942 0.826312 0.166676 O\n0.021058 0.326312 0.333324 O\n0.705154 0.289604 0.998634 O\n0.294844 0.710396 0.001365 O\n0.021057 0.173688 0.833324 O\n0.705155 0.210396 0.498634 O\n0.978941 0.673688 0.666676 O\n0.380935 0.267462 0.673247 F\n0.380935 0.232538 0.173247 F\n0.619064 0.732539 0.326753 F\n0.619063 0.767462 0.826753 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.929322006872267,
"density_atomic": 0.09912300199503615,
"volume": 181.5925631560412,
"volume_molar": 6.075422090527056,
"formula_full": "Fe6 O8 F4",
"formula_reduced": "Fe3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.4009512294444444,
"spacegroup": 14
},
{
"id": "jvasp-29294",
"created_at": "2022-09-04T14:38:01.498356Z",
"updated_at": "2022-09-04T14:38:01.498381Z",
"structure_string": "In8 Te8 Cl8\n1.0\n7.168749 -0.141130 0.000000\n-0.421874 7.425980 0.000000\n0.000000 0.000000 14.258320\nIn Te Cl\n8 8 8\ndirect\n0.125797 0.793128 0.025362 In\n0.374204 0.206872 0.525362 In\n0.874204 0.206872 0.974638 In\n0.625797 0.793128 0.474638 In\n0.127008 0.815002 0.312886 In\n0.372993 0.184999 0.812886 In\n0.872993 0.184999 0.687114 In\n0.627008 0.815002 0.187114 In\n0.768850 0.594098 0.327245 Te\n0.731151 0.405902 0.827245 Te\n0.231151 0.405902 0.672755 Te\n0.268850 0.594098 0.172755 Te\n0.765639 0.163455 0.495791 Te\n0.734362 0.836546 0.995791 Te\n0.234362 0.836545 0.504209 Te\n0.265639 0.163455 0.004209 Te\n0.980981 0.064456 0.234524 Cl\n0.519020 0.935544 0.734524 Cl\n0.019020 0.935544 0.765476 Cl\n0.480980 0.064456 0.265476 Cl\n0.264871 0.387332 0.396204 Cl\n0.235129 0.612668 0.896204 Cl\n0.735130 0.612668 0.603796 Cl\n0.764871 0.387332 0.103796 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"In",
"Te",
"Cl"
],
"chemical_system": "Cl-In-Te",
"density": 4.868585448295813,
"density_atomic": 0.03165422827339724,
"volume": 758.19254832916,
"volume_molar": 19.024759371755433,
"formula_full": "In8 Te8 Cl8",
"formula_reduced": "InTeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-29830",
"created_at": "2022-09-04T14:37:37.465092Z",
"updated_at": "2022-09-04T14:37:37.465123Z",
"structure_string": "U2 H4 O8\n1.0\n5.158740 0.000000 -2.098015\n0.000000 5.292975 0.000000\n-0.106189 0.000000 6.017375\nU H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.524033 0.305952 0.637867 H\n0.475967 0.805952 0.862135 H\n0.475967 0.694049 0.362135 H\n0.524033 0.194049 0.137867 H\n0.346219 0.312543 0.641915 O\n0.653780 0.812544 0.858087 O\n0.653780 0.687458 0.358086 O\n0.346219 0.187457 0.141915 O\n0.145198 0.773977 0.810880 O\n0.854802 0.273977 0.689122 O\n0.854802 0.226024 0.189121 O\n0.145198 0.726024 0.310880 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 6.190002167754843,
"density_atomic": 0.08582337831334921,
"volume": 163.12571557000103,
"volume_molar": 7.0169001481305,
"formula_full": "U2 H4 O8",
"formula_reduced": "U(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0701457142857143,
"spacegroup": 14
},
{
"id": "jvasp-27255",
"created_at": "2022-09-04T14:37:41.481125Z",
"updated_at": "2022-09-04T14:37:41.481140Z",
"structure_string": "Nd4 Ge4 B4 O20\n1.0\n0.000000 4.993074 0.002044\n7.659790 0.000000 0.000000\n0.000000 -0.346498 -10.144827\nNd Ge B O\n4 4 4 20\ndirect\n0.005702 0.108736 0.680218 Nd\n0.994296 0.608736 0.819783 Nd\n0.994297 0.891264 0.319783 Nd\n0.005702 0.391264 0.180218 Nd\n0.473706 0.766722 0.575158 Ge\n0.526293 0.266722 0.924843 Ge\n0.526293 0.233278 0.424843 Ge\n0.473706 0.733278 0.075158 Ge\n0.454016 0.404343 0.669055 B\n0.545983 0.904343 0.830946 B\n0.454016 0.095657 0.169054 B\n0.545983 0.595657 0.330946 B\n0.704826 0.840827 0.704277 O\n0.330134 0.579800 0.650169 O\n0.669865 0.079800 0.849832 O\n0.776679 0.413129 0.972950 O\n0.223320 0.913129 0.527051 O\n0.223320 0.586871 0.027051 O\n0.776679 0.086871 0.472950 O\n0.295173 0.340827 0.795724 O\n0.704826 0.659173 0.204277 O\n0.732954 0.396037 0.689022 O\n0.335980 0.286314 0.564664 O\n0.664019 0.786314 0.935336 O\n0.664019 0.713686 0.435336 O\n0.335980 0.213686 0.064664 O\n0.330134 0.920200 0.150169 O\n0.267045 0.896037 0.810979 O\n0.267045 0.603963 0.310979 O\n0.732954 0.103963 0.189022 O\n0.295173 0.159173 0.295724 O\n0.669865 0.420200 0.349832 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Nd",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ge-Nd-O",
"density": 5.26743313953822,
"density_atomic": 0.08247580050349392,
"volume": 387.99259667257655,
"volume_molar": 7.301706346875511,
"formula_full": "Nd4 Ge4 B4 O20",
"formula_reduced": "NdGeBO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.4238159416666667,
"spacegroup": 14
},
{
"id": "jvasp-22483",
"created_at": "2022-09-04T14:37:37.506477Z",
"updated_at": "2022-09-04T14:37:37.506493Z",
"structure_string": "Mg4 V4 Bi4 O20\n1.0\n0.000000 5.347766 0.010877\n11.652273 0.000000 0.000000\n0.000000 -3.078973 -7.294375\nMg V Bi O\n4 4 4 20\ndirect\n0.551926 0.078677 0.176164 Mg\n0.448076 0.921323 0.823836 Mg\n0.448075 0.578677 0.323836 Mg\n0.551926 0.421323 0.676164 Mg\n0.190596 0.350950 0.972582 V\n0.809405 0.649050 0.027418 V\n0.809406 0.850950 0.527418 V\n0.190595 0.149050 0.472582 V\n0.932999 0.402928 0.320985 Bi\n0.067003 0.597072 0.679015 Bi\n0.067002 0.902928 0.179015 Bi\n0.932999 0.097072 0.820985 Bi\n0.329931 0.285881 0.516210 O\n0.700546 0.930512 0.673536 O\n0.849070 0.175327 0.366252 O\n0.760464 0.027347 0.015963 O\n0.239538 0.972653 0.984037 O\n0.329931 0.214119 0.016209 O\n0.744654 0.572351 0.826538 O\n0.255348 0.072351 0.673463 O\n0.255348 0.427649 0.173462 O\n0.760464 0.472653 0.515963 O\n0.700545 0.569488 0.173536 O\n0.299456 0.430512 0.826464 O\n0.670070 0.785881 0.983791 O\n0.670070 0.714119 0.483791 O\n0.849070 0.324672 0.866253 O\n0.150931 0.824672 0.633748 O\n0.299456 0.069488 0.326464 O\n0.744653 0.927649 0.326538 O\n0.239537 0.527347 0.484037 O\n0.150931 0.675327 0.133747 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"V",
"Bi",
"O"
],
"chemical_system": "Bi-Mg-O-V",
"density": 5.326959685305169,
"density_atomic": 0.0704614959289362,
"volume": 454.1487457529078,
"volume_molar": 8.546711477817073,
"formula_full": "Mg4 V4 Bi4 O20",
"formula_reduced": "MgVBiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.10077813125,
"spacegroup": 14
},
{
"id": "jvasp-21030",
"created_at": "2022-09-04T14:37:38.073803Z",
"updated_at": "2022-09-04T14:37:38.073817Z",
"structure_string": "Si4 P8 O28\n1.0\n0.000000 4.765939 0.002752\n6.372252 0.000000 0.000000\n0.000000 -0.014337 -14.825911\nSi P O\n4 8 28\ndirect\n0.750379 0.919281 0.864501 Si\n0.249620 0.419281 0.635500 Si\n0.249621 0.080719 0.135500 Si\n0.750379 0.580718 0.364501 Si\n0.262176 0.892552 0.331923 P\n0.737823 0.392552 0.168077 P\n0.737823 0.107448 0.668077 P\n0.262176 0.607448 0.831923 P\n0.745276 0.693137 0.572452 P\n0.745277 0.806863 0.072452 P\n0.254723 0.306863 0.427548 P\n0.254723 0.193137 0.927548 P\n0.659692 0.833086 0.974708 O\n0.289738 0.061293 0.411444 O\n0.340308 0.166913 0.025292 O\n0.659692 0.666913 0.474708 O\n0.340308 0.333087 0.525292 O\n0.051397 0.637641 0.591145 O\n0.545889 0.584091 0.637507 O\n0.545890 0.915909 0.137507 O\n0.454110 0.415909 0.362493 O\n0.948602 0.137641 0.908855 O\n0.710262 0.561293 0.088556 O\n0.454110 0.084091 0.862493 O\n0.710262 0.938706 0.588556 O\n0.550196 0.705659 0.819779 O\n0.050140 0.761068 0.869197 O\n0.949860 0.261068 0.630803 O\n0.949860 0.238931 0.130803 O\n0.050140 0.738931 0.369197 O\n0.051397 0.862359 0.091145 O\n0.449803 0.205659 0.680221 O\n0.449804 0.294341 0.180221 O\n0.550196 0.794341 0.319779 O\n0.160578 0.494169 0.747827 O\n0.839421 0.994169 0.752173 O\n0.839422 0.505831 0.252173 O\n0.160578 0.005831 0.247828 O\n0.289738 0.438706 0.911444 O\n0.948603 0.362359 0.408855 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Si",
"P",
"O"
],
"chemical_system": "O-P-Si",
"density": 2.9802991346328467,
"density_atomic": 0.08883772397679036,
"volume": 450.2591715480053,
"volume_molar": 6.778810273857688,
"formula_full": "Si4 P8 O28",
"formula_reduced": "SiP2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 2.87077741,
"spacegroup": 14
},
{
"id": "jvasp-22007",
"created_at": "2022-09-04T14:37:38.083322Z",
"updated_at": "2022-09-04T14:37:38.083355Z",
"structure_string": "Sr8 In4 F28\n1.0\n0.000000 5.490570 0.002264\n12.380367 0.000000 0.000000\n0.000000 -0.089167 -8.358019\nSr In F\n8 4 28\ndirect\n0.763681 0.278498 0.554656 Sr\n0.236318 0.778498 0.945344 Sr\n0.236319 0.721503 0.445344 Sr\n0.763681 0.221503 0.054656 Sr\n0.236634 0.062342 0.324982 Sr\n0.763366 0.562343 0.175019 Sr\n0.763366 0.937658 0.675019 Sr\n0.236634 0.437658 0.824982 Sr\n0.279970 0.124546 0.788230 In\n0.720029 0.624546 0.711771 In\n0.279971 0.375454 0.288230 In\n0.720029 0.875454 0.211771 In\n0.988293 0.755265 0.692757 F\n0.495827 0.103945 0.573993 F\n0.011706 0.244735 0.307243 F\n0.988294 0.744735 0.192757 F\n0.011706 0.255265 0.807243 F\n0.201721 0.543181 0.286617 F\n0.986920 0.895920 0.411032 F\n0.986920 0.604080 0.911032 F\n0.013079 0.104080 0.588968 F\n0.798279 0.043181 0.213383 F\n0.504172 0.603945 0.926008 F\n0.013079 0.395920 0.088968 F\n0.504172 0.896056 0.426008 F\n0.364097 0.927546 0.124674 F\n0.495907 0.271289 0.798853 F\n0.504092 0.771289 0.701148 F\n0.504092 0.728712 0.201148 F\n0.495907 0.228712 0.298853 F\n0.201721 0.956819 0.786617 F\n0.635903 0.427546 0.375326 F\n0.635903 0.072455 0.875326 F\n0.364096 0.572455 0.624674 F\n0.791202 0.641803 0.463354 F\n0.208798 0.141802 0.036647 F\n0.208797 0.358198 0.536647 F\n0.791202 0.858198 0.963354 F\n0.495828 0.396055 0.073993 F\n0.798279 0.456819 0.713383 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"In",
"F"
],
"chemical_system": "F-In-Sr",
"density": 4.945897717098439,
"density_atomic": 0.07040566355811134,
"volume": 568.1361126152138,
"volume_molar": 8.553489102520075,
"formula_full": "Sr8 In4 F28",
"formula_reduced": "Sr2InF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-21028",
"created_at": "2022-09-04T14:37:38.123639Z",
"updated_at": "2022-09-04T14:37:38.123649Z",
"structure_string": "K8 Nb4 F28\n1.0\n0.000000 5.801227 -0.014159\n12.730041 0.000000 0.000000\n0.000000 -0.022170 -8.530491\nK Nb F\n8 4 28\ndirect\n0.763650 0.781937 0.944094 K\n0.236351 0.281937 0.555906 K\n0.236351 0.218063 0.055906 K\n0.763650 0.718063 0.444094 K\n0.237180 0.939813 0.679415 K\n0.762820 0.439813 0.820585 K\n0.762820 0.060187 0.320585 K\n0.237180 0.560187 0.179415 K\n0.274656 0.872285 0.219787 Nb\n0.725344 0.372285 0.280213 Nb\n0.274656 0.627715 0.719787 Nb\n0.725344 0.127715 0.780213 Nb\n0.533622 0.258478 0.794262 F\n0.041880 0.744326 0.696539 F\n0.466378 0.741522 0.205738 F\n0.533622 0.241522 0.294262 F\n0.466378 0.758478 0.705738 F\n0.529026 0.390513 0.088759 F\n0.958912 0.393198 0.108846 F\n0.958912 0.106802 0.608846 F\n0.041088 0.606802 0.891154 F\n0.470975 0.890512 0.411241 F\n0.958121 0.244326 0.803461 F\n0.041088 0.893198 0.391155 F\n0.958121 0.255674 0.303461 F\n0.189278 0.878282 0.995898 F\n0.213235 0.025583 0.212853 F\n0.786765 0.525583 0.287147 F\n0.786765 0.974417 0.787147 F\n0.213235 0.474417 0.712853 F\n0.529026 0.109487 0.588759 F\n0.810723 0.378282 0.504102 F\n0.810723 0.121718 0.004102 F\n0.189278 0.621718 0.495898 F\n0.570652 0.923976 0.127725 F\n0.429348 0.423976 0.372275 F\n0.429348 0.076024 0.872275 F\n0.570653 0.576024 0.627725 F\n0.041880 0.755674 0.196539 F\n0.470975 0.609487 0.911241 F\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Nb",
"F"
],
"chemical_system": "F-K-Nb",
"density": 3.206175976326497,
"density_atomic": 0.06349412540902168,
"volume": 629.9795412933828,
"volume_molar": 9.48456368397246,
"formula_full": "K8 Nb4 F28",
"formula_reduced": "K2NbF7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}