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=4486",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4484",
"results": [
{
"id": "jvasp-97383",
"created_at": "2022-09-04T14:35:55.253892Z",
"updated_at": "2022-09-04T14:35:55.253918Z",
"structure_string": "Ba6 Ir6 O18\n1.0\n5.773806 0.010566 -0.079714\n-2.868772 5.010698 -0.079714\n-0.028128 -0.048618 14.601136\nBa Ir O\n6 6 18\ndirect\n0.655668 0.324239 0.404100 Ba\n0.675763 0.344333 0.095901 Ba\n0.344333 0.675762 0.595901 Ba\n0.324239 0.655667 0.904100 Ba\n0.002552 0.997449 0.250000 Ba\n0.997449 0.002552 0.750001 Ba\n0.675759 0.345168 0.653475 Ir\n0.324242 0.654833 0.346526 Ir\n0.345168 0.675759 0.153475 Ir\n-0.000000 -0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.654833 0.324242 0.846526 Ir\n0.040159 0.512351 0.241948 O\n0.487651 0.959842 0.258053 O\n0.959843 0.487650 0.758053 O\n0.110158 0.291776 0.407483 O\n0.513247 0.486754 0.750000 O\n0.814958 0.620797 0.946478 O\n0.379204 0.185043 0.553523 O\n0.185044 0.379204 0.053523 O\n0.620797 0.814958 0.446477 O\n0.899460 0.199936 0.592858 O\n0.800065 0.100542 0.907143 O\n0.100542 0.800065 0.407143 O\n0.199936 0.899459 0.092858 O\n0.291776 0.110158 0.907483 O\n0.889843 0.708224 0.592518 O\n0.708225 0.889843 0.092518 O\n0.486754 0.513247 0.250000 O\n0.512351 0.040159 0.741948 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O",
"density": 8.896310310721214,
"density_atomic": 0.07095211204776154,
"volume": 422.82039440637715,
"volume_molar": 8.487613104379733,
"formula_full": "Ba6 Ir6 O18",
"formula_reduced": "BaIrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.114001514,
"spacegroup": 15
},
{
"id": "jvasp-98990",
"created_at": "2022-09-04T14:35:56.248150Z",
"updated_at": "2022-09-04T14:35:56.248176Z",
"structure_string": "Ti8 Si14 Ni8\n1.0\n4.797573 -0.000007 1.336673\n2.398778 8.930420 0.668319\n0.001911 -0.000018 9.271093\nTi Si Ni\n8 14 8\ndirect\n0.310245 0.189756 0.189756 Ti\n0.500000 0.810242 0.189758 Ti\n0.865959 0.268086 -0.000001 Ti\n0.134041 0.731914 0.000001 Ti\n0.865959 -0.000001 0.268086 Ti\n0.689755 0.810244 0.810244 Ti\n0.500000 0.189757 0.810242 Ti\n0.134041 0.000001 0.731913 Ti\n0.714072 0.285935 0.285935 Si\n0.906413 0.593579 0.593580 Si\n0.500000 0.406420 0.593580 Si\n0.750857 -0.000000 -0.000000 Si\n0.093587 0.406420 0.406420 Si\n0.285928 0.714065 0.714065 Si\n0.500000 0.593580 0.406420 Si\n0.296222 0.407559 -0.000002 Si\n0.703778 0.592441 0.000001 Si\n0.703778 0.000001 0.592440 Si\n0.000000 0.285938 0.714062 Si\n0.000000 0.714062 0.285938 Si\n0.249143 -0.000000 -0.000000 Si\n0.296222 -0.000002 0.407559 Si\n0.398709 0.499992 0.202642 Ni\n0.101292 0.797358 0.500005 Ni\n0.398709 0.202642 0.499992 Ni\n0.601291 0.500007 0.797358 Ni\n0.101292 0.500005 0.797358 Ni\n0.898708 0.202641 0.499994 Ni\n0.601291 0.797358 0.500007 Ni\n0.898708 0.499994 0.202642 Ni\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Ti",
"density": 5.207820621888525,
"density_atomic": 0.07553037011108038,
"volume": 397.19122196647317,
"volume_molar": 7.973138157728351,
"formula_full": "Ti8 Si14 Ni8",
"formula_reduced": "Ti4Si7Ni4",
"formula_anonymous": "A4B4C7",
"energy_above_hull": 3.386093542222222,
"spacegroup": 139
},
{
"id": "jvasp-97932",
"created_at": "2022-09-04T14:36:01.145445Z",
"updated_at": "2022-09-04T14:36:01.145471Z",
"structure_string": "H8 S8 N12 O2\n1.0\n8.497819 3.106999 -2.489593\n-8.497819 3.106999 2.489593\n-0.186416 0.000000 7.022322\nH S N O\n8 8 12 2\ndirect\n0.794436 0.205565 0.084619 H\n0.205565 0.794436 0.915380 H\n0.001417 0.266018 0.255592 H\n0.733982 0.998584 0.255592 H\n0.998583 0.733983 0.744408 H\n0.266018 0.001417 0.744408 H\n0.886121 0.113880 0.060927 H\n0.113879 0.886121 0.939072 H\n0.319884 0.680117 0.460939 S\n0.670367 0.769416 0.708833 S\n0.230585 0.329633 0.708833 S\n0.680116 0.319884 0.539061 S\n0.769415 0.670367 0.291166 S\n0.353013 0.646988 0.868239 S\n0.646988 0.353013 0.131760 S\n0.329633 0.230585 0.291166 S\n0.145506 0.854495 0.838359 N\n0.854494 0.145506 0.161641 N\n0.285671 0.714329 0.656494 N\n0.714329 0.285671 0.343506 N\n0.588705 0.820043 0.491799 N\n0.179958 0.411296 0.491799 N\n0.820043 0.588705 0.508201 N\n0.616600 0.796496 0.891055 N\n0.203505 0.383400 0.891055 N\n0.383400 0.203505 0.108945 N\n0.796496 0.616600 0.108945 N\n0.411295 0.179958 0.508201 N\n0.684163 0.315837 0.974162 O\n0.315837 0.684164 0.025838 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 2.097096428216092,
"density_atomic": 0.08153662434361976,
"volume": 367.9328184298017,
"volume_molar": 7.385810742692628,
"formula_full": "H8 S8 N12 O2",
"formula_reduced": "H4S4N6O",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.248311533333333,
"spacegroup": 12
},
{
"id": "jvasp-99062",
"created_at": "2022-09-04T14:35:56.695854Z",
"updated_at": "2022-09-04T14:35:56.695882Z",
"structure_string": "Cu6 Bi2 Se4 Cl2 O16\n1.0\n6.390520 0.000000 0.000000\n-0.000000 7.214070 0.000000\n0.000000 0.000000 9.728592\nCu Bi Se Cl O\n6 2 4 2 16\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.750000 0.207424 0.750000 Cu\n0.250000 0.792576 0.250000 Cu\n0.750000 0.745169 0.750000 Bi\n0.250000 0.254831 0.250000 Bi\n0.250000 0.601184 0.941925 Se\n0.750000 0.398816 0.058075 Se\n0.750000 0.398816 0.441925 Se\n0.250000 0.601184 0.558075 Se\n0.750000 0.844259 0.250000 Cl\n0.250000 0.155741 0.750000 Cl\n0.038948 0.750124 0.583913 O\n0.250000 0.583611 0.118048 O\n0.750000 0.416389 0.881952 O\n0.961052 0.249876 0.083913 O\n0.461052 0.750124 0.916087 O\n0.538948 0.249876 0.416087 O\n0.038948 0.750124 0.916087 O\n0.750000 0.009501 0.886965 O\n0.461052 0.750124 0.583913 O\n0.961052 0.249876 0.416087 O\n0.250000 0.990499 0.386965 O\n0.750000 0.009501 0.613034 O\n0.250000 0.990499 0.113034 O\n0.750000 0.416389 0.618048 O\n0.538948 0.249876 0.083913 O\n0.250000 0.583611 0.381952 O\n",
"nsites": 30,
"nelements": 5,
"elements": [
"Cu",
"Bi",
"Se",
"Cl",
"O"
],
"chemical_system": "Bi-Cl-Cu-O-Se",
"density": 5.338751981284012,
"density_atomic": 0.06688900166479891,
"volume": 448.50422720224026,
"volume_molar": 9.00318529222304,
"formula_full": "Cu6 Bi2 Se4 Cl2 O16",
"formula_reduced": "Cu3BiSe2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 1.7461709633888889,
"spacegroup": 59
},
{
"id": "jvasp-91398",
"created_at": "2022-09-04T14:35:48.074464Z",
"updated_at": "2022-09-04T14:35:48.074488Z",
"structure_string": "Ba2 Ni18 As10\n1.0\n6.792735 -0.000000 0.000000\n-3.396368 5.882682 -0.000000\n0.000000 -0.000000 11.343678\nBa Ni As\n2 18 10\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.791301 0.208699 0.750000 Ni\n0.582600 0.791300 0.250000 Ni\n0.208699 0.417399 0.250000 Ni\n0.791301 0.582600 0.750000 Ni\n0.417400 0.208699 0.750000 Ni\n0.535343 0.070685 0.393605 Ni\n0.929315 0.464658 0.393605 Ni\n0.535342 0.464658 0.393605 Ni\n0.208699 0.791300 0.250000 Ni\n0.464658 0.535342 0.606395 Ni\n0.464658 0.929314 0.893605 Ni\n0.070685 0.535342 0.893605 Ni\n0.929315 0.464658 0.106395 Ni\n0.535343 0.070685 0.106395 Ni\n0.464658 0.929314 0.606395 Ni\n0.070685 0.535342 0.606395 Ni\n0.535342 0.464658 0.106395 Ni\n0.464658 0.535342 0.893605 Ni\n0.666667 0.333333 0.560407 As\n0.333333 0.666667 0.060407 As\n0.172323 0.827677 0.750000 As\n0.344647 0.172323 0.250000 As\n0.827677 0.172323 0.250000 As\n0.172323 0.344647 0.750000 As\n0.655353 0.827677 0.750000 As\n0.666667 0.333333 0.939593 As\n0.827677 0.655353 0.250000 As\n0.333333 0.666667 0.439593 As\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"As"
],
"chemical_system": "As-Ba-Ni",
"density": 7.6209975237352605,
"density_atomic": 0.06618313268750788,
"volume": 453.2877000798502,
"volume_molar": 9.099207782191737,
"formula_full": "Ba2 Ni18 As10",
"formula_reduced": "BaNi9As5",
"formula_anonymous": "AB5C9",
"energy_above_hull": 1.6838690879999998,
"spacegroup": 194
},
{
"id": "jvasp-88165",
"created_at": "2022-09-04T14:36:02.074773Z",
"updated_at": "2022-09-04T14:36:02.074798Z",
"structure_string": "Mg2 B24 C4\n1.0\n5.132388 -0.000000 2.281022\n2.025468 6.170701 2.357167\n0.002400 -0.000584 6.909145\nMg B C\n2 24 4\ndirect\n0.250000 0.111836 0.388164 Mg\n0.750001 0.888165 0.611836 Mg\n0.175252 0.137046 0.033051 B\n0.832885 0.146682 0.187550 B\n0.097180 0.903897 0.224760 B\n0.332885 0.687550 0.646682 B\n0.906355 0.275133 0.912158 B\n0.774164 0.903897 0.224760 B\n0.225836 0.096104 0.775240 B\n0.597180 0.724760 0.403897 B\n0.154652 0.533052 0.637047 B\n0.402820 0.275240 0.596103 B\n0.093646 0.724868 0.087842 B\n0.824749 0.862954 0.966949 B\n0.725837 0.275240 0.596103 B\n0.667116 0.312450 0.353319 B\n0.324749 0.466949 0.362954 B\n0.406355 0.412158 0.775133 B\n0.274164 0.724760 0.403897 B\n0.345348 0.862954 0.966949 B\n0.845349 0.466949 0.362954 B\n0.654652 0.137046 0.033051 B\n0.902821 0.096104 0.775240 B\n0.593646 0.587842 0.224868 B\n0.675252 0.533052 0.637047 B\n0.167116 0.853319 0.812451 B\n0.838282 0.532893 0.790544 C\n0.661719 0.709457 0.967108 C\n0.161718 0.467107 0.209456 C\n0.338282 0.290544 0.032893 C\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mg",
"B",
"C"
],
"chemical_system": "B-C-Mg",
"density": 2.7028481815124414,
"density_atomic": 0.1371201713112348,
"volume": 218.78619106962844,
"volume_molar": 4.391870796551858,
"formula_full": "Mg2 B24 C4",
"formula_reduced": "Mg(B6C)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 5.365965336666667,
"spacegroup": 74
},
{
"id": "jvasp-87240",
"created_at": "2022-09-04T14:35:51.489589Z",
"updated_at": "2022-09-04T14:35:51.489617Z",
"structure_string": "Rb6 Mg6 F18\n1.0\n6.854623 0.000000 -0.000000\n-3.427312 5.936278 0.000000\n-0.000000 -0.000000 14.191360\nRb Mg F\n6 6 18\ndirect\n0.333333 0.666667 0.139453 Rb\n0.333333 0.666667 0.360547 Rb\n0.666667 0.333333 0.860547 Rb\n0.666667 0.333333 0.639453 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.842112 Mg\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.157888 Mg\n0.333333 0.666667 0.657888 Mg\n0.666667 0.333333 0.342112 Mg\n0.543732 0.087465 0.250000 F\n0.912534 0.456267 0.250000 F\n0.456267 0.543733 0.750000 F\n0.087466 0.543733 0.750000 F\n0.865498 0.134502 0.915096 F\n0.134502 0.269005 0.084904 F\n0.269005 0.134502 0.584904 F\n0.134502 0.269005 0.415096 F\n0.730995 0.865498 0.415096 F\n0.456268 0.912535 0.750000 F\n0.865498 0.134502 0.584904 F\n0.134502 0.865498 0.084904 F\n0.269005 0.134502 0.915096 F\n0.865498 0.730995 0.915096 F\n0.730995 0.865498 0.084904 F\n0.543733 0.456267 0.250000 F\n0.134502 0.865498 0.415096 F\n0.865498 0.730995 0.584904 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 2.8773405829189023,
"density_atomic": 0.051951660430401225,
"volume": 577.4598877391128,
"volume_molar": 11.591815757395784,
"formula_full": "Rb6 Mg6 F18",
"formula_reduced": "RbMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.127516,
"spacegroup": 194
},
{
"id": "jvasp-91309",
"created_at": "2022-09-04T14:36:14.450983Z",
"updated_at": "2022-09-04T14:36:14.451020Z",
"structure_string": "Y6 Co16 Sn8\n1.0\n8.801532 0.000000 0.000000\n-4.400767 7.622351 0.000000\n-0.000000 0.000000 7.471612\nY Co Sn\n6 16 8\ndirect\n0.057264 0.528632 0.501297 Y\n0.471367 0.942735 0.501297 Y\n0.528632 0.057264 0.001297 Y\n0.942735 0.471368 0.001297 Y\n0.471367 0.528632 0.501297 Y\n0.528632 0.471368 0.001297 Y\n0.097158 0.194314 0.479675 Co\n0.805685 0.902842 0.479675 Co\n0.194314 0.097158 0.979675 Co\n0.097157 0.902842 0.479675 Co\n0.840138 0.159862 0.664225 Co\n0.902842 0.805686 0.979675 Co\n0.159862 0.319725 0.164226 Co\n0.000000 0.000000 0.223546 Co\n0.680275 0.840138 0.164226 Co\n0.666667 0.333333 0.288436 Co\n0.333333 0.666667 0.788436 Co\n0.000000 0.000000 0.723546 Co\n0.159861 0.840138 0.164226 Co\n0.319724 0.159862 0.664225 Co\n0.840138 0.680275 0.664225 Co\n0.902842 0.097158 0.979675 Co\n0.333333 0.666667 0.170918 Sn\n0.170299 0.829701 0.796935 Sn\n0.340598 0.170299 0.296935 Sn\n0.829700 0.659402 0.296935 Sn\n0.170299 0.340598 0.796935 Sn\n0.659402 0.829701 0.796935 Sn\n0.829700 0.170299 0.296935 Sn\n0.666667 0.333333 0.670918 Sn\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Y",
"density": 8.036864406311881,
"density_atomic": 0.059849389935245786,
"volume": 501.2582422721198,
"volume_molar": 10.062158973576294,
"formula_full": "Y6 Co16 Sn8",
"formula_reduced": "Y3(Co2Sn)4",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 3.01729869,
"spacegroup": 186
},
{
"id": "jvasp-95145",
"created_at": "2022-09-04T14:36:31.553091Z",
"updated_at": "2022-09-04T14:36:31.553114Z",
"structure_string": "Cd10 I20\n1.0\n4.286487 0.000000 -0.000000\n-2.143244 3.712207 0.000000\n-0.000000 -0.000000 68.783737\nCd I\n10 20\ndirect\n0.666668 0.333333 0.524992 Cd\n0.000000 0.000000 0.124988 Cd\n0.000000 0.000000 0.324988 Cd\n0.666668 0.333333 0.024994 Cd\n0.000000 0.000000 0.924979 Cd\n0.000000 0.000000 0.624983 Cd\n0.000000 0.000000 0.825001 Cd\n0.666668 0.333333 0.724991 Cd\n0.666668 0.333333 0.224988 Cd\n0.666668 0.333333 0.425008 Cd\n0.666668 0.333333 0.599789 I\n0.666668 0.333333 0.799800 I\n0.333334 0.666668 0.650208 I\n0.333334 0.666668 0.850218 I\n0.000000 0.000000 0.699797 I\n0.000000 0.000000 -0.000202 I\n0.333334 0.666668 0.250214 I\n0.333334 0.666668 0.150212 I\n0.333334 0.666668 0.550216 I\n0.666668 0.333333 0.899781 I\n0.333334 0.666668 0.050218 I\n0.000000 0.000000 0.399807 I\n0.333334 0.666668 0.350213 I\n0.333334 0.666668 0.750216 I\n0.666668 0.333333 0.099793 I\n0.333334 0.666668 0.950204 I\n0.333334 0.666668 0.450225 I\n0.000000 0.000000 0.199794 I\n0.666668 0.333333 0.299792 I\n0.000000 0.000000 0.499795 I\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.556120052868759,
"density_atomic": 0.027409542786826908,
"volume": 1094.509318645697,
"volume_molar": 21.970963933386933,
"formula_full": "Cd10 I20",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001466666666666,
"spacegroup": 156
},
{
"id": "jvasp-98586",
"created_at": "2022-09-04T14:36:19.680298Z",
"updated_at": "2022-09-04T14:36:19.680325Z",
"structure_string": "H16 Pt2 O12\n1.0\n4.059024 3.639168 -0.325230\n-4.080716 3.655979 0.194353\n-0.001727 -0.123622 7.416276\nH Pt O\n16 2 12\ndirect\n0.177961 0.613694 0.887457 H\n0.832539 0.834972 0.287699 H\n0.021679 0.046652 0.512424 H\n0.144125 0.151009 0.784381 H\n0.356726 0.782832 0.400274 H\n0.461549 0.829581 0.654594 H\n0.748164 0.395147 0.894717 H\n0.507560 0.463262 0.493201 H\n0.937601 0.964035 0.013685 H\n0.562371 0.214911 0.382763 H\n0.243470 0.111965 0.239558 H\n0.134538 0.515599 0.162366 H\n0.857634 0.377632 0.147904 H\n0.874956 0.737620 0.748270 H\n0.594881 0.106528 0.656586 H\n0.445843 0.520800 -0.010232 H\n0.985175 0.499634 0.492016 Pt\n0.484392 -0.001078 -0.008498 Pt\n0.132287 0.187548 0.570977 O\n0.160128 0.132814 0.921236 O\n0.335738 0.659539 0.502138 O\n0.646108 0.347305 -0.000198 O\n0.629244 0.328197 0.490163 O\n0.581545 0.951311 0.732193 O\n0.400743 0.037469 0.248631 O\n0.020714 0.396886 0.230893 O\n0.951143 0.582201 0.751269 O\n0.801913 0.856831 0.072391 O\n0.313622 0.644461 -0.006147 O\n0.845128 0.818252 0.424392 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"H",
"Pt",
"O"
],
"chemical_system": "H-O-Pt",
"density": 4.513351964544641,
"density_atomic": 0.13628911882599787,
"volume": 220.12028735985444,
"volume_molar": 4.418651182042307,
"formula_full": "H16 Pt2 O12",
"formula_reduced": "H8PtO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 3.059766826666667,
"spacegroup": 1
},
{
"id": "jvasp-98010",
"created_at": "2022-09-04T14:36:10.325165Z",
"updated_at": "2022-09-04T14:36:10.325183Z",
"structure_string": "Ba6 Li24\n1.0\n10.708719 0.000000 0.000000\n-5.354360 9.274023 0.000000\n0.000000 0.000000 8.756359\nBa Li\n6 24\ndirect\n0.471431 0.942863 0.250000 Ba\n0.942863 0.471431 0.750000 Ba\n0.057137 0.528568 0.250000 Ba\n0.471431 0.528568 0.250000 Ba\n0.528568 0.057137 0.750000 Ba\n0.528568 0.471431 0.750000 Ba\n0.836226 0.672451 0.433081 Li\n0.163774 0.836226 0.566919 Li\n0.672451 0.836226 0.566919 Li\n0.327548 0.163774 0.066919 Li\n0.836226 0.163774 0.066919 Li\n0.163774 0.327548 0.566919 Li\n0.900239 0.800477 0.750000 Li\n0.099761 0.900238 0.250000 Li\n0.800477 0.900238 0.250000 Li\n0.163774 0.836226 0.933081 Li\n0.099761 0.199523 0.250000 Li\n0.333333 0.666666 0.914635 Li\n0.666667 0.333333 0.414635 Li\n0.666667 0.333333 0.085365 Li\n0.333333 0.666666 0.585365 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.836226 0.163774 0.433081 Li\n0.836226 0.672451 0.066919 Li\n0.327548 0.163774 0.433081 Li\n0.672451 0.836226 0.933081 Li\n0.163774 0.327548 0.933081 Li\n0.900239 0.099761 0.750000 Li\n0.199523 0.099761 0.750000 Li\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Ba",
"Li"
],
"chemical_system": "Ba-Li",
"density": 1.8914483910710242,
"density_atomic": 0.034497848020914434,
"volume": 869.619460953402,
"volume_molar": 17.456569338322367,
"formula_full": "Ba6 Li24",
"formula_reduced": "BaLi4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.5304911940000001,
"spacegroup": 194
},
{
"id": "jvasp-96838",
"created_at": "2022-09-04T14:36:32.386291Z",
"updated_at": "2022-09-04T14:36:32.386323Z",
"structure_string": "Rb6 Mn6 Cl18\n1.0\n7.112998 0.000000 -0.000000\n-3.556499 6.160037 0.000000\n-0.000000 -0.000000 17.699645\nRb Mn Cl\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.414311 Rb\n0.666667 0.333333 0.585689 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.914311 Rb\n0.333333 0.666667 0.085689 Rb\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.338615 Mn\n0.000000 0.000000 0.000000 Mn\n0.666667 0.333333 0.161385 Mn\n0.333333 0.666667 0.661384 Mn\n0.333333 0.666667 0.838615 Mn\n0.991406 0.495703 0.250000 Cl\n0.165898 0.331796 0.917773 Cl\n0.495703 0.504298 0.750000 Cl\n0.668205 0.834103 0.917773 Cl\n0.834102 0.165898 0.417773 Cl\n0.834102 0.668205 0.082227 Cl\n0.495703 0.991406 0.750000 Cl\n0.331796 0.165898 0.417773 Cl\n0.834102 0.165898 0.082227 Cl\n0.834102 0.668205 0.417773 Cl\n0.504297 0.495703 0.250000 Cl\n0.668205 0.834103 0.582227 Cl\n0.008595 0.504298 0.750000 Cl\n0.165898 0.834103 0.582227 Cl\n0.165898 0.331796 0.582227 Cl\n0.165898 0.834103 0.917773 Cl\n0.331796 0.165898 0.082227 Cl\n0.504297 0.008595 0.250000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Cl"
],
"chemical_system": "Cl-Mn-Rb",
"density": 3.1701738064802467,
"density_atomic": 0.03868304843602534,
"volume": 775.5335014409346,
"volume_molar": 15.567906365909902,
"formula_full": "Rb6 Mn6 Cl18",
"formula_reduced": "RbMnCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.463479888775862,
"spacegroup": 194
}
]
}