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=-id&page=451",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=449",
"results": [
{
"id": "jvasp-89528",
"created_at": "2022-09-04T14:35:57.087192Z",
"updated_at": "2022-09-04T14:35:57.087209Z",
"structure_string": "Ho4 B16\n1.0\n4.008032 -0.000000 0.000000\n0.000000 7.077616 0.000000\n0.000000 0.000000 7.077616\nHo B\n4 16\ndirect\n0.000000 0.181426 0.318574 Ho\n0.000000 0.818574 0.681427 Ho\n0.000000 0.681427 0.181426 Ho\n0.000000 0.318574 0.818574 Ho\n0.500000 0.323680 0.538629 B\n0.500000 0.461371 0.323680 B\n0.500000 0.823680 0.961372 B\n0.500000 0.912974 0.412974 B\n0.500000 0.038629 0.823680 B\n0.797290 0.000000 0.000000 B\n0.202710 0.500000 0.500000 B\n0.500000 0.676320 0.461371 B\n0.500000 0.176320 0.038629 B\n0.500000 0.587027 0.912974 B\n0.500000 0.538629 0.676320 B\n0.500000 0.087027 0.587027 B\n0.500000 0.412974 0.087027 B\n0.797290 0.500000 0.500000 B\n0.202710 0.000000 0.000000 B\n0.500000 0.961372 0.176320 B\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ho",
"B"
],
"chemical_system": "B-Ho",
"density": 6.88701567001542,
"density_atomic": 0.09961501926724513,
"volume": 200.77293712451544,
"volume_molar": 6.0454144408123085,
"formula_full": "Ho4 B16",
"formula_reduced": "HoB4",
"formula_anonymous": "AB4",
"energy_above_hull": 3.98906918,
"spacegroup": 127
},
{
"id": "jvasp-89516",
"created_at": "2022-09-04T14:35:50.972868Z",
"updated_at": "2022-09-04T14:35:50.972899Z",
"structure_string": "Yb10 Al4 Sb12\n1.0\n4.423919 0.000000 0.000000\n0.000000 7.335839 -0.000000\n0.000000 -0.000000 22.916654\nYb Al Sb\n10 4 12\ndirect\n0.000000 0.449888 0.910774 Yb\n0.000000 0.266846 0.746958 Yb\n0.000000 0.766846 0.753041 Yb\n0.000000 0.550112 0.089226 Yb\n0.000000 0.949888 0.589226 Yb\n0.000000 0.000000 0.000000 Yb\n0.000000 0.733154 0.253042 Yb\n0.000000 0.050112 0.410774 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.233154 0.246958 Yb\n0.500000 0.315591 0.621405 Al\n0.500000 0.684409 0.378595 Al\n0.500000 0.815591 0.878595 Al\n0.500000 0.184409 0.121405 Al\n0.500000 0.299815 0.004372 Sb\n0.500000 0.799815 0.495628 Sb\n0.000000 0.471337 0.363780 Sb\n0.000000 0.971337 0.136220 Sb\n0.500000 0.511166 0.811865 Sb\n0.500000 0.488834 0.188135 Sb\n0.000000 0.028663 0.863780 Sb\n0.000000 0.528663 0.636220 Sb\n0.500000 0.988834 0.311865 Sb\n0.500000 0.200185 0.504372 Sb\n0.500000 0.011166 0.688135 Sb\n0.500000 0.700185 0.995628 Sb\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Sb"
],
"chemical_system": "Al-Sb-Yb",
"density": 7.366852544390418,
"density_atomic": 0.03495949756152138,
"volume": 743.7177823921942,
"volume_molar": 17.226050658772472,
"formula_full": "Yb10 Al4 Sb12",
"formula_reduced": "Yb5(AlSb3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 0.7969381307692307,
"spacegroup": 55
},
{
"id": "jvasp-895",
"created_at": "2022-09-04T14:37:44.762451Z",
"updated_at": "2022-09-04T14:37:44.762475Z",
"structure_string": "I4\n1.0\n4.346376 -0.102922 0.000000\n-1.833313 3.942149 0.000000\n0.000000 0.000000 9.731427\nI\n4\ndirect\n0.167973 0.167972 0.121776 I\n0.332028 0.332028 0.621776 I\n0.667974 0.667973 0.378224 I\n0.832029 0.832028 0.878224 I\n",
"nsites": 4,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.111617308009916,
"density_atomic": 0.024256733392232672,
"volume": 164.9026658008639,
"volume_molar": 24.826676628801014,
"formula_full": "I4",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy_above_hull": 2.627499999996452e-05,
"spacegroup": 64
},
{
"id": "jvasp-89494",
"created_at": "2022-09-04T14:35:45.835212Z",
"updated_at": "2022-09-04T14:35:45.835238Z",
"structure_string": "Tm6 Mn6 O18\n1.0\n6.077632 0.000000 0.000000\n-3.038817 5.263384 0.000000\n0.000000 0.000000 11.415452\nTm Mn O\n6 6 18\ndirect\n0.666666 0.333333 0.727558 Tm\n0.000000 0.000000 0.773282 Tm\n0.333332 0.666667 0.227558 Tm\n0.666666 0.333333 0.227558 Tm\n0.000000 0.000000 0.273282 Tm\n0.333332 0.666667 0.727558 Tm\n0.333502 0.333503 0.497198 Mn\n0.666497 -0.000000 0.497198 Mn\n0.333503 -0.000000 0.997198 Mn\n-0.000000 0.333503 0.997198 Mn\n0.666496 0.666497 0.997198 Mn\n-0.000001 0.666497 0.497198 Mn\n0.304821 0.304821 0.661983 O\n0.638631 -0.000000 0.332772 O\n-0.000001 0.695178 0.661983 O\n0.333332 0.666667 0.017925 O\n0.304822 -0.000000 0.161983 O\n0.000000 0.000000 0.972890 O\n0.695177 0.695178 0.161983 O\n-0.000001 0.638631 0.332772 O\n0.361368 -0.000000 0.832772 O\n-0.000000 0.304821 0.161983 O\n0.333332 0.666667 0.517924 O\n-0.000000 0.361368 0.832772 O\n0.695178 -0.000000 0.661983 O\n0.000000 0.000000 0.472890 O\n0.638631 0.638631 0.832772 O\n0.666666 0.333333 0.517924 O\n0.361368 0.361368 0.332772 O\n0.666666 0.333333 0.017925 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Tm",
"Mn",
"O"
],
"chemical_system": "Mn-O-Tm",
"density": 7.41770903200749,
"density_atomic": 0.08215399485558227,
"volume": 365.16787835742764,
"volume_molar": 7.330307881663289,
"formula_full": "Tm6 Mn6 O18",
"formula_reduced": "TmMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148274398275862,
"spacegroup": 185
},
{
"id": "jvasp-89420",
"created_at": "2022-09-04T14:36:20.048666Z",
"updated_at": "2022-09-04T14:36:20.048681Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"K",
"U",
"Si",
"O"
],
"chemical_system": "K-O-Si-U",
"density": 5.382741445801857,
"density_atomic": 0.062136038752758624,
"volume": 675.9362335136844,
"volume_molar": 9.691864626199134,
"formula_full": "K6 U6 Si4 O26",
"formula_reduced": "K3U3Si2O13",
"formula_anonymous": "A2B3C3D13",
"energy_above_hull": 3.035545461904762,
"spacegroup": 190
},
{
"id": "jvasp-89402",
"created_at": "2022-09-04T14:36:17.378446Z",
"updated_at": "2022-09-04T14:36:17.378458Z",
"structure_string": "Na10 P6 O20\n1.0\n5.353757 0.000000 0.000000\n-2.676878 4.812385 -0.591259\n0.000000 -0.029111 18.579581\nNa P O\n10 6 20\ndirect\n0.346837 0.652353 0.067013 Na\n0.889667 0.928296 0.824542 Na\n0.461372 0.071706 0.675458 Na\n0.194485 0.347648 0.432987 Na\n0.653164 0.347648 0.932987 Na\n0.538629 0.928295 0.324542 Na\n0.000000 0.000000 0.000000 Na\n0.110334 0.071706 0.175458 Na\n0.805516 0.652353 0.567013 Na\n0.500000 0.000000 0.500000 Na\n0.144688 0.336153 0.598714 P\n0.691465 0.336153 0.098714 P\n0.101108 0.500001 0.750000 P\n0.898893 0.500001 0.250000 P\n0.308535 0.663848 0.901285 P\n0.855313 0.663848 0.401286 P\n0.830845 0.248810 0.766643 O\n0.738697 0.584168 0.313811 O\n0.756948 0.594482 0.062883 O\n0.662466 0.405519 0.437117 O\n0.917966 0.248810 0.266644 O\n0.935224 0.267871 0.097115 O\n0.167352 0.732130 0.402885 O\n0.337535 0.594482 0.562883 O\n0.601859 0.909812 0.924894 O\n0.261304 0.415833 0.686189 O\n0.398142 0.090189 0.075106 O\n0.807955 0.909812 0.424894 O\n0.082035 0.751191 0.733356 O\n0.192046 0.090189 0.575106 O\n0.243053 0.405519 0.937117 O\n0.169155 0.751191 0.233356 O\n0.654530 0.415833 0.186189 O\n0.832649 0.267871 0.597115 O\n0.064777 0.732130 0.902884 O\n0.345471 0.584168 0.813811 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.552673172545533,
"density_atomic": 0.07521962719185532,
"volume": 478.59849010123827,
"volume_molar": 8.006076319203121,
"formula_full": "Na10 P6 O20",
"formula_reduced": "Na5P3O10",
"formula_anonymous": "A3B5C10",
"energy_above_hull": 1.929690916666667,
"spacegroup": 15
},
{
"id": "jvasp-89396",
"created_at": "2022-09-04T14:36:09.417841Z",
"updated_at": "2022-09-04T14:36:09.417871Z",
"structure_string": "Na4 Cd4 H12 C12 O24\n1.0\n6.389318 -0.000000 0.000000\n0.000000 7.191735 0.000000\n0.000000 0.000000 14.499252\nNa Cd H C O\n4 4 12 12 24\ndirect\n0.750000 0.500000 0.279898 Na\n0.250000 0.500000 0.220102 Na\n0.750000 0.500000 0.779898 Na\n0.250000 0.500000 0.720102 Na\n0.750000 0.000000 0.427894 Cd\n0.250000 0.000000 0.572105 Cd\n0.750000 0.000000 0.927894 Cd\n0.250000 0.000000 0.072106 Cd\n0.693908 0.328096 0.073436 H\n0.193907 0.328096 0.926564 H\n0.306093 0.671904 0.926564 H\n0.806093 0.671904 0.073436 H\n0.500000 0.055852 0.750000 H\n0.693908 0.671904 0.573436 H\n0.193907 0.671904 0.426564 H\n0.500000 0.944149 0.250000 H\n0.306093 0.328096 0.426564 H\n0.000000 0.055852 0.250000 H\n0.000000 0.944149 0.750000 H\n0.806093 0.328096 0.573436 H\n0.859386 0.706650 0.589205 C\n0.140614 0.706650 0.910795 C\n0.140614 0.293350 0.410795 C\n0.359386 0.706650 0.410795 C\n0.000000 0.901145 0.250000 C\n0.359386 0.293350 0.910795 C\n0.500000 0.098856 0.250000 C\n0.640614 0.293350 0.589205 C\n0.500000 0.901145 0.750000 C\n0.859386 0.293350 0.089205 C\n0.000000 0.098856 0.750000 C\n0.640614 0.706650 0.089205 C\n0.103645 0.817696 0.187779 O\n0.546412 0.380608 0.650628 O\n0.103645 0.182305 0.687778 O\n0.396355 0.182305 0.187779 O\n0.061628 0.839894 0.959020 O\n0.953588 0.380608 0.150628 O\n0.546412 0.619393 0.150628 O\n0.896355 0.817696 0.312221 O\n0.938372 0.160107 0.040980 O\n0.561628 0.160107 0.540980 O\n0.953588 0.619393 0.650628 O\n0.896355 0.182305 0.812221 O\n0.561628 0.839894 0.040980 O\n0.603645 0.817696 0.812221 O\n0.438372 0.839894 0.459020 O\n0.938372 0.839894 0.540980 O\n0.046412 0.619393 0.849371 O\n0.061628 0.160107 0.459020 O\n0.603645 0.182305 0.312221 O\n0.438372 0.160107 0.959020 O\n0.453588 0.380608 0.849371 O\n0.046412 0.380608 0.349371 O\n0.396355 0.817696 0.687778 O\n0.453588 0.619393 0.349371 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Na",
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-Na-O",
"density": 2.6962940750050692,
"density_atomic": 0.08405319938634272,
"volume": 666.2447165467338,
"volume_molar": 7.164677613662021,
"formula_full": "Na4 Cd4 H12 C12 O24",
"formula_reduced": "NaCdH3(CO2)3",
"formula_anonymous": "ABC3D3E6",
"energy_above_hull": 3.2447935535714283,
"spacegroup": 54
},
{
"id": "jvasp-89391",
"created_at": "2022-09-04T14:36:03.871328Z",
"updated_at": "2022-09-04T14:36:03.871356Z",
"structure_string": "La4 Ga4 O12\n1.0\n5.520754 -0.000000 0.000000\n0.000000 5.589182 0.000000\n0.000000 0.000000 7.821904\nLa Ga O\n4 4 12\ndirect\n0.999782 0.992601 0.750000 La\n0.500217 0.492601 0.250000 La\n0.000217 0.007398 0.250000 La\n0.499782 0.507398 0.750000 La\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.749500 0.749494 0.543256 O\n0.750499 0.249494 0.456744 O\n0.499744 0.921380 0.250000 O\n0.999743 0.578620 0.250000 O\n0.500256 0.078620 0.750000 O\n0.249501 0.750505 0.543256 O\n0.750499 0.249494 0.043256 O\n0.749500 0.749494 0.956744 O\n0.250499 0.250506 0.456744 O\n0.249501 0.750505 0.956744 O\n0.250499 0.250506 0.043256 O\n0.000256 0.421380 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"Ga",
"O"
],
"chemical_system": "Ga-La-O",
"density": 7.062390842948779,
"density_atomic": 0.08286494886340205,
"volume": 241.35657204071666,
"volume_molar": 7.267416250901381,
"formula_full": "La4 Ga4 O12",
"formula_reduced": "LaGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2650735649999998,
"spacegroup": 74
},
{
"id": "jvasp-89386",
"created_at": "2022-09-04T14:35:56.220147Z",
"updated_at": "2022-09-04T14:35:56.220164Z",
"structure_string": "C8 O8\n1.0\n6.891383 -0.092563 0.415311\n0.385444 6.881219 0.415311\n-0.099219 -0.092563 6.903174\nC O\n8 8\ndirect\n0.531734 0.531735 0.531734 C\n0.731914 0.036978 0.542484 C\n0.036977 0.542485 0.731915 C\n0.542484 0.731915 0.036978 C\n0.031735 0.031735 0.031735 C\n0.231915 0.042485 0.536977 C\n0.536977 0.231915 0.042484 C\n0.042484 0.536978 0.231915 C\n0.424966 0.302789 0.942376 O\n0.942376 0.424968 0.302789 O\n0.442376 0.802790 0.924966 O\n0.440554 0.440555 0.440554 O\n0.302788 0.942377 0.424967 O\n0.924966 0.442377 0.802788 O\n0.802788 0.924968 0.442376 O\n0.940553 0.940555 0.940554 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 1.1339518256909795,
"density_atomic": 0.04875967962791961,
"volume": 328.1399738901988,
"volume_molar": 12.350656948434386,
"formula_full": "C8 O8",
"formula_reduced": "CO",
"formula_anonymous": "AB",
"energy_above_hull": 2.6293667499999995,
"spacegroup": 161
},
{
"id": "jvasp-89379",
"created_at": "2022-09-04T14:35:49.463854Z",
"updated_at": "2022-09-04T14:35:49.463879Z",
"structure_string": "Rb2 Ni4 F12\n1.0\n6.189617 0.000000 3.519926\n2.160913 5.870080 3.402172\n0.047664 0.175646 7.118218\nRb Ni F\n2 4 12\ndirect\n0.374923 0.875077 0.375077 Rb\n0.625077 0.124924 0.624924 Rb\n-0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.926257 0.823767 0.926198 F\n0.676220 0.176234 0.073803 F\n0.926270 0.823730 0.323730 F\n0.926257 0.426197 0.323767 F\n0.323777 0.426223 0.926223 F\n0.323780 0.426197 0.323767 F\n0.073742 0.573803 0.676234 F\n0.323779 0.823767 0.926198 F\n0.073742 0.176234 0.073803 F\n0.676220 0.573803 0.676234 F\n0.676222 0.573778 0.073778 F\n0.073729 0.176270 0.676270 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 4.121971135794305,
"density_atomic": 0.07051012325741442,
"volume": 255.28249233498863,
"volume_molar": 8.540817235582903,
"formula_full": "Rb2 Ni4 F12",
"formula_reduced": "RbNi2F6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0955803608333333,
"spacegroup": 227
},
{
"id": "jvasp-89367",
"created_at": "2022-09-04T14:35:44.912648Z",
"updated_at": "2022-09-04T14:35:44.912675Z",
"structure_string": "Ba2 Li2 Zr4 F22\n1.0\n7.090006 0.008867 -3.946607\n-4.642118 6.651750 -0.221210\n0.006188 -0.008867 8.114422\nBa Li Zr F\n2 2 4 22\ndirect\n-0.000000 0.804910 0.804910 Ba\n-0.000000 0.195089 0.195089 Ba\n0.500000 0.750000 0.250000 Li\n0.500000 0.250000 0.750000 Li\n0.852751 0.214249 0.638502 Zr\n0.424254 0.638502 0.785751 Zr\n0.147249 0.785751 0.361498 Zr\n0.575746 0.361498 0.214249 Zr\n0.434612 0.489666 0.275153 F\n0.278657 0.811193 0.677563 F\n0.866370 0.467463 0.188806 F\n0.866370 0.677564 0.398907 F\n0.565388 0.840542 0.055055 F\n0.785488 0.944945 0.510334 F\n0.500000 0.500000 -0.000000 F\n0.071945 0.188958 0.882986 F\n0.721343 0.398907 0.532537 F\n0.500000 -0.000000 0.500000 F\n0.214512 0.724847 0.159458 F\n0.785488 0.275153 0.840541 F\n0.133630 0.532537 0.811193 F\n0.305972 0.117014 0.188958 F\n0.278657 0.601093 0.467463 F\n0.721343 0.188807 0.322437 F\n0.214513 0.055055 0.489666 F\n0.565389 0.510334 0.724846 F\n0.694029 0.882986 0.811042 F\n0.133630 0.322436 0.601093 F\n0.928056 0.811042 0.117013 F\n0.434612 0.159458 0.944945 F\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Li",
"Zr",
"F"
],
"chemical_system": "Ba-F-Li-Zr",
"density": 4.645112775110366,
"density_atomic": 0.07832818190988036,
"volume": 383.00391083398534,
"volume_molar": 7.688344875575829,
"formula_full": "Ba2 Li2 Zr4 F22",
"formula_reduced": "BaLiZr2F11",
"formula_anonymous": "ABC2D11",
"energy_above_hull": 0.3566632051666667,
"spacegroup": 87
},
{
"id": "jvasp-89349",
"created_at": "2022-09-04T14:35:41.903085Z",
"updated_at": "2022-09-04T14:35:41.903117Z",
"structure_string": "Ba2 Be4 B4 O12\n1.0\n5.686771 0.000000 2.748927\n2.843385 5.895914 1.374463\n-0.007822 0.000000 7.272826\nBa Be B O\n2 4 4 12\ndirect\n0.375000 0.250000 0.250000 Ba\n0.625001 0.749999 0.750000 Ba\n0.217195 0.749999 0.565611 Be\n0.782805 0.250000 0.434389 Be\n0.967195 0.250000 0.065611 Be\n0.032806 0.749999 0.934389 Be\n0.340172 0.319656 0.750000 B\n0.090173 0.819656 0.250000 B\n0.909829 0.180343 0.750001 B\n0.659829 0.680343 0.250000 B\n0.266488 0.203550 0.927429 O\n0.806084 0.296449 0.927430 O\n0.777100 0.445802 0.250000 O\n0.222901 0.554197 0.750000 O\n0.733514 0.796449 0.072571 O\n0.027101 0.945802 0.750000 O\n0.193917 0.703550 0.072571 O\n0.897467 0.296449 0.572572 O\n0.470039 0.796449 0.427429 O\n0.972901 0.054198 0.250000 O\n0.529963 0.203550 0.572571 O\n0.102534 0.703550 0.427429 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Be",
"B",
"O"
],
"chemical_system": "B-Ba-Be-O",
"density": 3.715761519843351,
"density_atomic": 0.09017307426731434,
"volume": 243.97526843525276,
"volume_molar": 6.67842458398126,
"formula_full": "Ba2 Be4 B4 O12",
"formula_reduced": "BaBe2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.684480394242424,
"spacegroup": 70
}
]
}