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=-nelements&page=56",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=54",
"results": [
{
"id": "jvasp-46198",
"created_at": "2022-09-04T14:38:09.891836Z",
"updated_at": "2022-09-04T14:38:09.891853Z",
"structure_string": "Li4 Fe2 Ni2 P4 O16\n1.0\n0.000000 4.706110 -0.000691\n5.959381 0.000000 0.000000\n0.000000 -0.083885 -10.152907\nLi Fe Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.022280 0.750000 0.277880 Fe\n0.977719 0.250000 0.722120 Fe\n0.525165 0.250000 0.221665 Ni\n0.474834 0.750000 0.778335 Ni\n0.417178 0.250000 0.908290 P\n0.921433 0.750000 0.595589 P\n0.078566 0.250000 0.404411 P\n0.582821 0.750000 0.091710 P\n0.276615 0.044651 0.835640 O\n0.276615 0.455349 0.835640 O\n0.787674 0.541440 0.666254 O\n0.787674 0.958560 0.666254 O\n0.247323 0.750000 0.596553 O\n0.207847 0.250000 0.545983 O\n0.792152 0.750000 0.454017 O\n0.257204 0.750000 0.095567 O\n0.212325 0.041440 0.333746 O\n0.212325 0.458560 0.333746 O\n0.723384 0.544651 0.164360 O\n0.723384 0.955349 0.164360 O\n0.742795 0.250000 0.904433 O\n0.295417 0.250000 0.049818 O\n0.752676 0.250000 0.403447 O\n0.704582 0.750000 0.950182 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Li-Ni-O-P",
"density": 3.7131944251327096,
"density_atomic": 0.09833403728998996,
"volume": 284.7437242653546,
"volume_molar": 6.124167100187833,
"formula_full": "Li4 Fe2 Ni2 P4 O16",
"formula_reduced": "Li2FeNi(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.6007162071428573,
"spacegroup": 11
},
{
"id": "jvasp-8203",
"created_at": "2022-09-04T14:38:10.328735Z",
"updated_at": "2022-09-04T14:38:10.328762Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933326 -0.000000 -0.867737\n-0.191433 3.928664 -0.867737\n-0.004211 -0.004420 9.329369\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592247 0.592245 0.184491 Sr\n0.407755 0.407754 0.815509 Sr\n0.000000 0.000000 0.000000 Zn\n0.750001 0.250000 0.500000 Cu\n0.250001 0.749999 0.500000 Cu\n0.827658 0.827656 0.655313 S\n0.172344 0.172343 0.344686 S\n0.500001 -0.000000 -0.000000 O\n0.000000 0.499999 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Zn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr-Zn",
"density": 5.344154546292808,
"density_atomic": 0.06244193055655265,
"volume": 144.1339164209352,
"volume_molar": 9.64438592196608,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.4852578799999998,
"spacegroup": 139
},
{
"id": "jvasp-25636",
"created_at": "2022-09-04T14:38:14.792996Z",
"updated_at": "2022-09-04T14:38:14.793019Z",
"structure_string": "Li8 Al6 Ge6 I2 O24\n1.0\n8.774951 -0.000000 0.000000\n0.000000 8.774951 -0.000000\n-0.000000 -0.000000 8.774951\nLi Al Ge I O\n8 6 6 2 24\ndirect\n0.687863 0.312137 0.312137 Li\n0.812137 0.187863 0.812137 Li\n0.312137 0.312137 0.687863 Li\n0.687863 0.687863 0.687863 Li\n0.187863 0.812137 0.812137 Li\n0.187863 0.187863 0.187863 Li\n0.312137 0.687863 0.312137 Li\n0.812137 0.812137 0.187863 Li\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.750000 0.000000 0.500000 Ge\n0.250000 0.000000 0.500000 Ge\n0.000000 0.500000 0.750000 Ge\n0.500000 0.250000 0.000000 Ge\n0.500000 0.750000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n0.639564 0.360633 0.095583 O\n0.860436 0.595583 0.139367 O\n0.595583 0.139367 0.860436 O\n0.360633 0.095583 0.639564 O\n0.639367 0.904417 0.639564 O\n0.360436 0.639367 0.095583 O\n0.404417 0.139367 0.139564 O\n0.904417 0.639564 0.639367 O\n0.904417 0.360436 0.360633 O\n0.860633 0.139564 0.595583 O\n0.139367 0.139564 0.404417 O\n0.595583 0.860633 0.139564 O\n0.139564 0.404417 0.139367 O\n0.360633 0.904417 0.360436 O\n0.095583 0.639564 0.360633 O\n0.860436 0.404417 0.860633 O\n0.095583 0.360436 0.639367 O\n0.860633 0.860436 0.404417 O\n0.139367 0.860436 0.595583 O\n0.404417 0.860633 0.860436 O\n0.639367 0.095583 0.360436 O\n0.639564 0.639367 0.904417 O\n0.139564 0.595583 0.860633 O\n0.360436 0.360633 0.904417 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Li",
"Al",
"Ge",
"I",
"O"
],
"chemical_system": "Al-Ge-I-Li-O",
"density": 3.1729165895058427,
"density_atomic": 0.06808065597668876,
"volume": 675.669165346331,
"volume_molar": 8.845597436755044,
"formula_full": "Li8 Al6 Ge6 I2 O24",
"formula_reduced": "Li4Al3Ge3IO12",
"formula_anonymous": "AB3C3D4E12",
"energy_above_hull": 2.046762370652174,
"spacegroup": 218
},
{
"id": "jvasp-52430",
"created_at": "2022-09-04T14:38:15.155317Z",
"updated_at": "2022-09-04T14:38:15.155341Z",
"structure_string": "K4 Na2 Fe1 H3 F12\n1.0\n0.000000 5.751218 -0.007468\n5.915750 0.000000 0.000000\n0.000000 -0.572973 -8.351328\nK Na Fe H F\n4 2 1 3 12\ndirect\n0.946319 0.499294 0.244050 K\n0.515821 0.985164 0.731543 K\n0.053682 0.499294 0.755951 K\n0.484180 0.985164 0.268458 K\n0.000000 0.008296 0.000000 Na\n0.500000 0.486966 0.500000 Na\n0.000000 0.990162 0.500000 Fe\n0.631384 0.389656 0.874116 H\n0.368617 0.389656 0.125884 H\n0.500000 0.754547 0.000000 H\n0.700409 0.771739 0.011750 F\n0.299592 0.771739 0.988251 F\n0.469509 0.475799 0.236713 F\n0.530492 0.475799 0.763287 F\n0.744265 0.289340 0.963901 F\n0.230877 0.763085 0.504300 F\n0.230059 0.215211 0.504906 F\n0.011425 0.990726 0.725558 F\n0.988576 0.990726 0.274442 F\n0.769124 0.763085 0.495701 F\n0.255736 0.289340 0.036100 F\n0.769942 0.215211 0.495094 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Na",
"Fe",
"H",
"F"
],
"chemical_system": "F-Fe-H-K-Na",
"density": 2.8588512321528827,
"density_atomic": 0.07742100569941612,
"volume": 284.16060733457914,
"volume_molar": 7.778432617345109,
"formula_full": "K4 Na2 Fe1 H3 F12",
"formula_reduced": "K4Na2FeH3F12",
"formula_anonymous": "AB2C3D4E12",
"energy_above_hull": 0.1322440404545458,
"spacegroup": 3
},
{
"id": "jvasp-49240",
"created_at": "2022-09-04T14:38:15.931505Z",
"updated_at": "2022-09-04T14:38:15.931524Z",
"structure_string": "Sr3 Ta1 Ga3 Si2 O14\n1.0\n4.180746 -7.241265 -0.000000\n4.180746 7.241265 0.000000\n-0.000000 -0.000000 5.119142\nSr Ta Ga Si O\n3 1 3 2 14\ndirect\n0.428658 0.428658 0.000000 Sr\n0.000000 0.571343 0.000000 Sr\n0.571343 0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Ta\n0.746169 0.746169 0.500000 Ga\n0.253832 0.000000 0.500000 Ga\n0.000000 0.253832 0.500000 Ga\n0.333334 0.666667 0.463606 Si\n0.666667 0.333334 0.536393 Si\n0.692108 0.525716 0.672025 O\n0.666667 0.333334 0.221321 O\n0.333334 0.666667 0.778678 O\n0.307894 0.833608 0.327975 O\n0.166393 0.474285 0.327975 O\n0.525716 0.692108 0.327975 O\n0.093560 0.871360 0.769250 O\n0.871360 0.093560 0.230749 O\n0.222200 0.128640 0.230749 O\n0.833608 0.307894 0.672025 O\n0.128640 0.222200 0.769250 O\n0.777801 0.906441 0.769250 O\n0.906441 0.777801 0.230749 O\n0.474285 0.166393 0.672025 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Sr",
"Ta",
"Ga",
"Si",
"O"
],
"chemical_system": "Ga-O-Si-Sr-Ta",
"density": 4.999197165501719,
"density_atomic": 0.07420487531457903,
"volume": 309.9526803662884,
"volume_molar": 8.115559435239465,
"formula_full": "Sr3 Ta1 Ga3 Si2 O14",
"formula_reduced": "Sr3TaGa3(SiO7)2",
"formula_anonymous": "AB2C3D3E14",
"energy_above_hull": 2.295360926304348,
"spacegroup": 150
},
{
"id": "jvasp-52432",
"created_at": "2022-09-04T14:38:15.932884Z",
"updated_at": "2022-09-04T14:38:15.932911Z",
"structure_string": "K4 Mn2 H4 O2 F10\n1.0\n0.000000 5.889194 -0.038581\n8.223370 0.000000 0.000000\n0.000000 -0.692762 -6.043723\nK Mn H O F\n4 2 4 2 10\ndirect\n0.079505 0.750000 0.518370 K\n0.920494 0.250000 0.481630 K\n0.498558 0.750000 0.093650 K\n0.501441 0.250000 0.906350 K\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.624609 0.652861 0.619351 H\n0.375390 0.152860 0.380648 H\n0.375390 0.347140 0.380648 H\n0.624609 0.847140 0.619351 H\n0.443426 0.250000 0.457760 O\n0.556573 0.750000 0.542240 O\n0.207643 0.504185 0.264060 F\n0.792357 0.004185 0.735940 F\n0.792357 0.495815 0.735940 F\n0.207643 0.995815 0.264060 F\n0.243208 0.530876 0.831116 F\n0.756792 0.030876 0.168883 F\n0.756792 0.469124 0.168883 F\n0.243208 0.969124 0.831116 F\n0.958630 0.750000 0.028720 F\n0.041370 0.250000 0.971279 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-K-Mn-O",
"density": 2.790798430585365,
"density_atomic": 0.07510804136519816,
"volume": 292.91137939583996,
"volume_molar": 8.017970713306873,
"formula_full": "K4 Mn2 H4 O2 F10",
"formula_reduced": "K2MnH2OF5",
"formula_anonymous": "ABC2D2E5",
"energy_above_hull": 0.7987698321708465,
"spacegroup": 11
},
{
"id": "jvasp-42168",
"created_at": "2022-09-04T14:38:16.412983Z",
"updated_at": "2022-09-04T14:38:16.413008Z",
"structure_string": "Li4 Mn2 C2 S2 O14\n1.0\n0.000000 4.816383 -0.036498\n6.387049 0.000000 0.000000\n0.000000 -1.197119 -9.063637\nLi Mn C S O\n4 2 2 2 14\ndirect\n0.783249 0.483267 0.167661 Li\n0.783249 0.016733 0.167661 Li\n0.216751 0.983267 0.832340 Li\n0.216751 0.516733 0.832340 Li\n0.255951 0.250000 0.366196 Mn\n0.744049 0.750000 0.633804 Mn\n0.272606 0.250000 0.070967 C\n0.727393 0.750000 0.929034 C\n0.234101 0.750000 0.396643 S\n0.765898 0.250000 0.603357 S\n0.518788 0.750000 0.820228 O\n0.873913 0.063256 0.687940 O\n0.873913 0.436744 0.687940 O\n0.149881 0.750000 0.546567 O\n0.453301 0.250000 0.586722 O\n0.546698 0.750000 0.413278 O\n0.021577 0.250000 0.107482 O\n0.126086 0.563256 0.312060 O\n0.126086 0.936745 0.312060 O\n0.481212 0.250000 0.179773 O\n0.978422 0.750000 0.892519 O\n0.677366 0.750000 0.063334 O\n0.850118 0.250000 0.453434 O\n0.322633 0.250000 0.936666 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.6760485886052905,
"density_atomic": 0.08599100310373828,
"volume": 279.09896540044724,
"volume_molar": 7.003221898382764,
"formula_full": "Li4 Mn2 C2 S2 O14",
"formula_reduced": "Li2MnCSO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.950645145114943,
"spacegroup": 11
},
{
"id": "jvasp-28806",
"created_at": "2022-09-04T14:38:16.343535Z",
"updated_at": "2022-09-04T14:38:16.343551Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.312359 0.000000 0.000000\n-1.656179 2.868666 0.000095\n0.000000 0.001265 37.996146\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333322 0.666645 0.708020 Te\n0.333385 0.666770 0.606866 Te\n0.333313 0.666626 0.093945 Mo\n0.333315 0.666630 0.469668 Mo\n0.666690 0.333379 0.281805 Mo\n0.666680 0.333359 0.657541 W\n0.333338 0.666678 0.325906 Se\n0.333380 0.666762 0.237701 Se\n0.666659 0.333316 0.053855 S\n0.666657 0.333312 0.429496 S\n0.666628 0.333255 0.134136 S\n0.666634 0.333266 0.509809 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.659279435291089,
"density_atomic": 0.03323719096090119,
"volume": 361.04134113247676,
"volume_molar": 18.11868147065794,
"formula_full": "Te2 Mo3 W1 Se2 S4",
"formula_reduced": "Te2Mo3W(SeS2)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.824089997222223,
"spacegroup": 156
},
{
"id": "jvasp-117447",
"created_at": "2022-09-04T14:38:27.536538Z",
"updated_at": "2022-09-04T14:38:27.536556Z",
"structure_string": "Na6 Ni2 B2 P2 O14\n1.0\n6.691042 -0.000000 0.000000\n0.000000 5.069685 0.165885\n0.000000 0.033398 8.741283\nNa Ni B P O\n6 2 2 2 14\ndirect\n0.750000 0.227251 0.920685 Na\n0.990877 0.745873 0.733299 Na\n0.509122 0.745873 0.733299 Na\n0.490877 0.254128 0.266700 Na\n0.009122 0.254128 0.266700 Na\n0.250000 0.772751 0.079314 Na\n0.250000 0.217604 0.661495 Ni\n0.750000 0.782397 0.338504 Ni\n0.750000 0.724363 0.071110 B\n0.250000 0.275639 0.928890 B\n0.750000 0.279505 0.580373 P\n0.250000 0.720496 0.419626 P\n0.750000 0.523802 0.184912 O\n0.066865 0.786450 0.316464 O\n0.433135 0.786450 0.316464 O\n0.250000 0.416979 0.463874 O\n0.750000 0.127107 0.431282 O\n0.250000 0.872894 0.568717 O\n0.750000 0.694803 0.919975 O\n0.566865 0.213551 0.683535 O\n0.933135 0.213551 0.683535 O\n0.250000 0.476200 0.815087 O\n0.250000 0.034468 0.856556 O\n0.750000 0.965533 0.143443 O\n0.750000 0.583022 0.536125 O\n0.250000 0.305198 0.080025 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Ni",
"B",
"P",
"O"
],
"chemical_system": "B-Na-Ni-O-P",
"density": 3.1526397450216237,
"density_atomic": 0.08769558577712157,
"volume": 296.48014514754516,
"volume_molar": 6.867096794706723,
"formula_full": "Na6 Ni2 B2 P2 O14",
"formula_reduced": "Na3NiBPO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.0371255371794867,
"spacegroup": 11
},
{
"id": "jvasp-43394",
"created_at": "2022-09-04T14:38:28.603858Z",
"updated_at": "2022-09-04T14:38:28.603872Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n0.000000 5.002027 0.043131\n6.497842 0.000000 0.000000\n0.000000 -0.771247 -8.616011\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.843434 0.250000 0.896406 Li\n0.156566 0.750000 0.103594 Li\n0.783095 0.750000 0.677963 Sn\n0.216905 0.250000 0.322037 Sn\n0.742513 0.250000 0.584816 P\n0.257487 0.750000 0.415184 P\n0.618689 0.750000 0.949538 C\n0.381311 0.250000 0.050462 C\n0.536740 0.250000 0.182917 O\n0.179962 0.933752 0.305027 O\n0.179962 0.566248 0.305027 O\n0.886283 0.250000 0.437700 O\n0.562510 0.750000 0.465476 O\n0.437490 0.250000 0.534524 O\n0.463260 0.750000 0.817083 O\n0.820038 0.433752 0.694973 O\n0.820038 0.066248 0.694973 O\n0.534153 0.750000 0.079416 O\n0.465847 0.250000 0.920584 O\n0.882471 0.750000 0.927222 O\n0.113717 0.750000 0.562300 O\n0.117529 0.250000 0.072778 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Li",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-Sn",
"density": 3.3306504572187094,
"density_atomic": 0.07862064373614588,
"volume": 279.82472483732016,
"volume_molar": 7.659744914084591,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.796736518181818,
"spacegroup": 11
},
{
"id": "jvasp-26766",
"created_at": "2022-09-04T14:38:28.742849Z",
"updated_at": "2022-09-04T14:38:28.742876Z",
"structure_string": "Er12 Si4 Se8 O40 F4\n1.0\n5.853451 0.000000 0.000000\n0.000000 10.285168 0.000000\n0.000000 0.000000 15.393582\nEr Si Se O F\n12 4 8 40 4\ndirect\n0.928074 0.886561 0.652729 Er\n0.250000 0.125963 0.000000 Er\n0.571926 0.886561 0.347271 Er\n0.928074 0.613439 0.847271 Er\n0.750000 0.874037 0.000000 Er\n0.571926 0.613439 0.152729 Er\n0.071926 0.386561 0.152729 Er\n0.428074 0.113439 0.652729 Er\n0.750000 0.625963 0.500000 Er\n0.250000 0.374037 0.500000 Er\n0.071926 0.113439 0.347271 Er\n0.428074 0.386561 0.847271 Er\n0.750000 0.357346 0.000000 Si\n0.250000 0.857346 0.500000 Si\n0.750000 0.142654 0.500000 Si\n0.250000 0.642654 0.000000 Si\n0.035377 0.616302 0.324778 Se\n0.464623 0.883698 0.824778 Se\n0.535377 0.383698 0.324778 Se\n0.464623 0.616302 0.675222 Se\n0.964622 0.383698 0.675222 Se\n0.964622 0.116302 0.824778 Se\n0.035377 0.883698 0.175222 Se\n0.535377 0.116302 0.175222 Se\n0.321646 0.281199 0.361106 O\n0.769940 0.446669 0.911048 O\n0.269940 0.553331 0.911048 O\n0.321646 0.218801 0.138894 O\n0.521322 0.273607 0.972308 O\n0.178354 0.281199 0.638894 O\n0.479314 0.513500 0.586397 O\n0.021322 0.726393 0.972308 O\n0.821646 0.718801 0.361106 O\n0.678354 0.781199 0.861106 O\n0.520686 0.486500 0.413603 O\n0.269940 0.946669 0.588952 O\n0.120459 0.032984 0.745181 O\n0.678354 0.718801 0.638894 O\n0.020686 0.513500 0.413603 O\n0.978678 0.273607 0.027691 O\n0.620459 0.967016 0.745181 O\n0.521322 0.226393 0.527691 O\n0.620459 0.532984 0.754819 O\n0.379541 0.467016 0.245181 O\n0.978678 0.226393 0.472308 O\n0.230060 0.946669 0.411048 O\n0.479314 0.986500 0.913603 O\n0.979314 0.013500 0.913603 O\n0.230060 0.553331 0.088952 O\n0.021322 0.773607 0.527691 O\n0.379541 0.032984 0.254819 O\n0.730060 0.446669 0.088952 O\n0.020686 0.986500 0.086397 O\n0.120459 0.467016 0.754819 O\n0.478678 0.726393 0.027691 O\n0.730060 0.053331 0.411048 O\n0.478678 0.773607 0.472308 O\n0.879540 0.967016 0.254819 O\n0.520686 0.013500 0.086397 O\n0.821646 0.781199 0.138894 O\n0.979314 0.486500 0.586397 O\n0.178354 0.218801 0.861106 O\n0.879540 0.532984 0.245181 O\n0.769940 0.053331 0.588952 O\n0.436771 0.750000 0.250000 F\n0.936771 0.250000 0.250000 F\n0.563229 0.250000 0.750000 F\n0.063229 0.750000 0.750000 F\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Er",
"Si",
"Se",
"O",
"F"
],
"chemical_system": "Er-F-O-Se-Si",
"density": 6.212299001091217,
"density_atomic": 0.07337461679428368,
"volume": 926.7510069680882,
"volume_molar": 8.207389725637599,
"formula_full": "Er12 Si4 Se8 O40 F4",
"formula_reduced": "Er3SiSe2O10F",
"formula_anonymous": "ABC2D3E10",
"energy_above_hull": 2.338732977401961,
"spacegroup": 52
},
{
"id": "jvasp-21476",
"created_at": "2022-09-04T14:38:28.940451Z",
"updated_at": "2022-09-04T14:38:28.940484Z",
"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n4.474446 -0.000000 -0.000000\n-2.237222 3.612629 -1.401731\n-0.000000 -0.047962 7.015186\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004746 0.000000 0.000000 Rb\n0.809456 0.609068 0.413591 Be\n0.200387 0.390933 0.586409 Be\n0.504954 0.000000 0.500000 B\n0.813127 0.000000 0.500000 O\n0.196771 0.691780 0.499920 O\n0.504992 0.308221 0.500081 O\n0.730319 0.451063 0.176699 F\n0.279256 0.548938 0.823302 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Rb",
"Be",
"B",
"O",
"F"
],
"chemical_system": "B-Be-F-O-Rb",
"density": 2.9408838206241557,
"density_atomic": 0.07957823412775936,
"volume": 113.09625174078248,
"volume_molar": 7.567572749015412,
"formula_full": "Rb1 Be2 B1 O3 F2",
"formula_reduced": "RbBe2BO3F2",
"formula_anonymous": "ABC2D2E3",
"energy_above_hull": 1.5230173164814813,
"spacegroup": 155
}
]
}