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=4423",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4421",
"results": [
{
"id": "jvasp-48408",
"created_at": "2022-09-04T14:35:59.383045Z",
"updated_at": "2022-09-04T14:35:59.383069Z",
"structure_string": "Li5 Ti2 V3 O10\n1.0\n5.096644 -0.002556 -0.003528\n0.837148 4.954178 0.017052\n2.421296 2.056504 7.013964\nLi Ti V O\n5 2 3 10\ndirect\n0.497623 0.777955 0.414186 Li\n0.522506 0.597237 0.778239 Li\n0.996894 0.503586 0.501102 Li\n0.497138 0.220694 0.591165 Li\n0.473423 0.401137 0.228418 Li\n0.005002 0.895601 0.699912 Ti\n0.989866 0.109939 0.302946 Ti\n0.484408 -0.002668 0.006817 V\n0.998019 0.682054 0.095763 V\n0.996494 0.322336 0.910037 V\n0.223665 0.137990 0.456543 O\n0.237182 0.964119 0.853691 O\n0.768416 0.866042 0.548594 O\n0.732544 0.659936 0.945938 O\n0.231192 0.755705 0.248912 O\n0.237334 0.558786 0.664228 O\n0.752723 0.444141 0.343027 O\n0.758855 0.234944 0.767087 O\n0.261285 0.346322 0.056787 O\n0.754709 0.043433 0.147557 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.159093817297592,
"density_atomic": 0.11301172979799508,
"volume": 176.9727800445969,
"volume_molar": 5.328774960585408,
"formula_full": "Li5 Ti2 V3 O10",
"formula_reduced": "Li5Ti2V3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.922899713333333,
"spacegroup": 1
},
{
"id": "jvasp-88093",
"created_at": "2022-09-04T14:35:59.484172Z",
"updated_at": "2022-09-04T14:35:59.484206Z",
"structure_string": "Ba3 Ca3 C6 O18\n1.0\n8.747254 0.000000 -0.000000\n-4.373627 7.575344 0.000000\n-0.000000 0.000000 6.115398\nBa Ca C O\n3 3 6 18\ndirect\n-0.000000 0.687587 0.000000 Ba\n0.687587 -0.000000 0.000000 Ba\n0.312413 0.312413 0.000000 Ba\n0.361171 -0.000000 0.500000 Ca\n0.638828 0.638828 0.500000 Ca\n-0.000000 0.361171 0.500000 Ca\n0.333332 0.666667 0.356608 C\n0.333332 0.666667 0.818229 C\n0.666667 0.333333 0.181771 C\n0.000000 0.000000 0.266671 C\n0.666667 0.333333 0.643392 C\n0.000000 0.000000 0.733329 C\n0.653992 0.475148 0.179216 O\n0.513600 0.323558 0.639228 O\n0.145647 0.995203 0.740008 O\n0.178845 0.524852 0.820784 O\n0.346007 0.821154 0.820784 O\n0.676442 0.190042 0.639228 O\n0.323557 0.513600 0.360772 O\n0.854351 0.849556 0.259992 O\n0.821154 0.346007 0.179216 O\n0.809957 0.486399 0.639228 O\n0.150443 0.004796 0.259992 O\n0.849556 0.854352 0.740008 O\n0.190042 0.676442 0.360772 O\n0.524852 0.178846 0.179216 O\n0.995203 0.145648 0.259992 O\n0.004796 0.150443 0.740008 O\n0.475147 0.653993 0.820784 O\n0.486399 0.809957 0.360772 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"C",
"O"
],
"chemical_system": "Ba-C-Ca-O",
"density": 3.6563333723193554,
"density_atomic": 0.07403250269045253,
"volume": 405.2274191707002,
"volume_molar": 8.134455193524929,
"formula_full": "Ba3 Ca3 C6 O18",
"formula_reduced": "BaCa(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.856676739,
"spacegroup": 150
},
{
"id": "jvasp-90358",
"created_at": "2022-09-04T14:35:54.559877Z",
"updated_at": "2022-09-04T14:35:54.559899Z",
"structure_string": "Na5 Co1 S1 O2\n1.0\n4.583223 0.000000 0.000000\n0.000000 4.583225 0.000000\n-0.000000 0.000000 8.012286\nNa Co S O\n5 1 1 2\ndirect\n0.000000 0.500000 0.251368 Na\n0.500000 0.000000 0.251372 Na\n0.000000 0.500000 0.748626 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.748636 Na\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.781146 O\n0.000000 0.000000 0.218854 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"Co",
"S",
"O"
],
"chemical_system": "Co-Na-O-S",
"density": 2.347624355651496,
"density_atomic": 0.05347415117127984,
"volume": 168.30561687968904,
"volume_molar": 11.26177906164577,
"formula_full": "Na5 Co1 S1 O2",
"formula_reduced": "Na5CoSO2",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.7133547666666665,
"spacegroup": 123
},
{
"id": "jvasp-96166",
"created_at": "2022-09-04T14:36:03.642533Z",
"updated_at": "2022-09-04T14:36:03.642548Z",
"structure_string": "Rb4 P4 H16 O20\n1.0\n6.910096 0.000000 -1.793895\n0.000000 7.735656 0.000000\n0.089517 0.000000 9.440104\nRb P H O\n4 4 16 20\ndirect\n0.823325 0.221289 0.459504 Rb\n0.176676 0.721289 0.040496 Rb\n0.176676 0.778712 0.540496 Rb\n0.823325 0.278712 0.959504 Rb\n0.367445 0.209977 0.151148 P\n0.632555 0.709978 0.348852 P\n0.632556 0.790023 0.848852 P\n0.367446 0.290023 0.651148 P\n0.362395 0.175733 0.441294 H\n0.637606 0.675734 0.058706 H\n0.362395 0.324267 0.941294 H\n0.120745 0.409738 0.277110 H\n0.879256 0.909738 0.222890 H\n0.879256 0.590262 0.722890 H\n0.120745 0.090262 0.777110 H\n0.637606 0.824267 0.558706 H\n0.066813 0.016463 0.211559 H\n0.066813 0.483537 0.711559 H\n0.933188 0.983537 0.788441 H\n0.577715 0.509115 0.668353 H\n0.422287 0.009114 0.831647 H\n0.422286 0.490886 0.331647 H\n0.577714 0.990886 0.168353 H\n0.933188 0.516463 0.288442 H\n0.569834 0.378352 0.653319 O\n0.202242 0.086360 0.098049 O\n0.797759 0.586360 0.401951 O\n0.003350 0.034802 0.719006 O\n0.202242 0.413641 0.598049 O\n0.430168 0.878352 0.846681 O\n0.996651 0.534803 0.780994 O\n0.797759 0.913641 0.901951 O\n0.430167 0.621648 0.346681 O\n0.639464 0.868390 0.457410 O\n0.360537 0.131611 0.542590 O\n0.639464 0.631611 0.957410 O\n0.360537 0.368389 0.042590 O\n0.377391 0.208480 0.801299 O\n0.622610 0.708481 0.698701 O\n0.622610 0.791520 0.198702 O\n0.377391 0.291520 0.301299 O\n0.996651 0.965198 0.280994 O\n0.569833 0.121648 0.153320 O\n0.003350 0.465198 0.219007 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Rb",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Rb",
"density": 2.632287752960086,
"density_atomic": 0.08698149400932596,
"volume": 505.8547280790833,
"volume_molar": 6.923473583190374,
"formula_full": "Rb4 P4 H16 O20",
"formula_reduced": "RbPH4O5",
"formula_anonymous": "ABC4D5",
"energy_above_hull": 2.532437545454545,
"spacegroup": 14
},
{
"id": "jvasp-93515",
"created_at": "2022-09-04T14:35:49.913319Z",
"updated_at": "2022-09-04T14:35:49.913345Z",
"structure_string": "Te2 Mo1 W1 Se2\n1.0\n3.440995 0.000000 0.000000\n-1.720497 2.980176 0.000074\n0.000000 0.000562 13.923132\nTe Mo W Se\n2 1 1 2\ndirect\n0.334250 0.668503 0.684612 Te\n0.334293 0.668588 0.417274 Te\n0.667599 0.335200 0.550943 Mo\n0.332399 0.664799 0.050926 W\n0.665745 0.331492 0.932893 Se\n0.665710 0.331419 0.168957 Se\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 8.058547389767837,
"density_atomic": 0.0420231260375956,
"volume": 142.77852615324608,
"volume_molar": 14.330539700003152,
"formula_full": "Te2 Mo1 W1 Se2",
"formula_reduced": "Te2MoWSe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.373093027777778,
"spacegroup": 187
},
{
"id": "jvasp-98002",
"created_at": "2022-09-04T14:36:03.672632Z",
"updated_at": "2022-09-04T14:36:03.672658Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n5.380311 0.005261 0.000000\n-1.948399 6.283785 0.000000\n0.000000 0.000000 26.737467\nK Mn P O\n2 12 14 48\ndirect\n0.780765 0.376445 0.750000 K\n0.219235 0.623555 0.250000 K\n0.622870 0.278037 0.316655 Mn\n0.687627 0.684858 0.044670 Mn\n0.312373 0.315143 0.544670 Mn\n0.312373 0.315143 0.955331 Mn\n0.687627 0.684858 0.455331 Mn\n0.377130 0.721964 0.816655 Mn\n0.708679 0.086189 0.598061 Mn\n0.708679 0.086189 0.901939 Mn\n0.291321 0.913812 0.401939 Mn\n0.622870 0.278037 0.183345 Mn\n0.377130 0.721964 0.683346 Mn\n0.291321 0.913812 0.098061 Mn\n0.752067 0.806059 0.167840 P\n0.247933 0.193942 0.667840 P\n0.247933 0.193942 0.832160 P\n0.752067 0.806059 0.332160 P\n0.044816 0.092470 0.250000 P\n0.789977 0.204589 0.024437 P\n0.955184 0.907531 0.750000 P\n0.210022 0.795411 0.975563 P\n0.789977 0.204589 0.475563 P\n0.185769 0.383507 0.110068 P\n0.814231 0.616493 0.610068 P\n0.814231 0.616493 0.889932 P\n0.185769 0.383507 0.389932 P\n0.210022 0.795411 0.524437 P\n0.361272 0.606107 0.095925 O\n0.046280 0.292343 0.441928 O\n0.953720 0.707657 0.941928 O\n0.953720 0.707657 0.558072 O\n0.638728 0.393894 0.595926 O\n0.627562 0.995074 0.451958 O\n0.372438 0.004927 0.548042 O\n0.330108 0.217789 0.250000 O\n0.046280 0.292343 0.058072 O\n0.372438 0.004927 0.951958 O\n0.891503 0.794523 0.118562 O\n0.349423 0.232582 0.122524 O\n0.003082 0.937188 0.296865 O\n-0.003082 0.062812 0.796865 O\n-0.003082 0.062812 0.703136 O\n0.003082 0.937188 0.203136 O\n0.635873 0.596341 0.305440 O\n0.364127 0.403660 0.805440 O\n0.364127 0.403660 0.694560 O\n0.635873 0.596341 0.194560 O\n0.565143 0.943169 0.333760 O\n0.434857 0.056832 0.833760 O\n0.434857 0.056832 0.666241 O\n0.565143 0.943169 0.166241 O\n0.891503 0.794523 0.381438 O\n0.108497 0.205477 0.881438 O\n0.108497 0.205477 0.618562 O\n0.151536 0.782674 0.750000 O\n0.361272 0.606107 0.404075 O\n0.848464 0.217327 0.250000 O\n0.669892 0.782212 0.750000 O\n0.650576 0.767419 0.622524 O\n0.650576 0.767419 0.877477 O\n0.349423 0.232582 0.377476 O\n0.989719 0.386079 0.150150 O\n0.010281 0.613921 0.650150 O\n0.010281 0.613921 0.849850 O\n0.989719 0.386079 0.349850 O\n0.640373 0.369786 0.478157 O\n0.359627 0.630214 0.978157 O\n0.359627 0.630214 0.521843 O\n0.640373 0.369786 0.021843 O\n0.910816 0.173879 0.526083 O\n0.089184 0.826122 0.026083 O\n0.089184 0.826122 0.473917 O\n0.910816 0.173879 0.973918 O\n0.627562 0.995074 0.048042 O\n0.638728 0.393894 0.904075 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"K",
"Mn",
"P",
"O"
],
"chemical_system": "K-Mn-O-P",
"density": 3.5608941280948505,
"density_atomic": 0.08404908286984228,
"volume": 904.2335431273292,
"volume_molar": 7.16502852187672,
"formula_full": "K2 Mn12 P14 O48",
"formula_reduced": "KMn6P7O24",
"formula_anonymous": "AB6C7D24",
"energy_above_hull": 3.462903524954628,
"spacegroup": 11
},
{
"id": "jvasp-105636",
"created_at": "2022-09-04T14:36:03.545855Z",
"updated_at": "2022-09-04T14:36:03.545875Z",
"structure_string": "K2 In1 Au1 I6\n1.0\n7.205415 0.000000 4.160048\n2.401805 6.793330 4.160048\n0.000000 0.000000 8.320097\nK In Au I\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.500000 Au\n0.747093 0.252908 0.252908 I\n0.252908 0.252908 0.747092 I\n0.252909 0.747092 0.747092 I\n0.252909 0.747092 0.252908 I\n0.747093 0.252908 0.747092 I\n0.747093 0.747092 0.252908 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Au",
"I"
],
"chemical_system": "Au-I-In-K",
"density": 4.6947042153233305,
"density_atomic": 0.02455443239156881,
"volume": 407.2584468877266,
"volume_molar": 24.525676928568735,
"formula_full": "K2 In1 Au1 I6",
"formula_reduced": "K2InAuI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-87243",
"created_at": "2022-09-04T14:35:59.234541Z",
"updated_at": "2022-09-04T14:35:59.234560Z",
"structure_string": "Sr10 B6 Br2 O18\n1.0\n7.578758 0.000000 0.000000\n0.000000 8.217208 -2.901227\n-0.000000 0.033918 8.714269\nSr B Br O\n10 6 2 18\ndirect\n0.500000 0.757410 0.757409 Sr\n0.571114 0.266508 0.006657 Sr\n0.750000 0.363055 0.636945 Sr\n0.750000 0.635891 0.364109 Sr\n0.071114 0.733492 0.993343 Sr\n0.000000 0.242591 0.242590 Sr\n0.928886 0.993343 0.733492 Sr\n0.250000 0.636945 0.363055 Sr\n0.250000 0.364110 0.635891 Sr\n0.428886 0.006657 0.266508 Sr\n0.500000 0.372059 0.372059 B\n0.000000 0.627942 0.627941 B\n0.472277 0.593395 0.016180 B\n0.527724 0.016181 0.593395 B\n0.972277 0.406606 0.983820 B\n0.027723 0.983820 0.406605 B\n0.750000 0.938279 0.061721 Br\n0.250000 0.061722 0.938279 Br\n0.838990 0.694348 0.691486 O\n0.013425 0.516504 0.138191 O\n0.384490 0.735972 0.029409 O\n0.338990 0.305653 0.308514 O\n0.884490 0.264028 0.970591 O\n0.661011 0.308514 0.305652 O\n0.014026 0.442687 0.844475 O\n0.115511 0.970591 0.264028 O\n0.500000 0.510578 0.510578 O\n0.514026 0.557314 0.155524 O\n0.485974 0.155525 0.557314 O\n0.513425 0.483496 0.861809 O\n0.486575 0.861810 0.483496 O\n0.986576 0.138191 0.516504 O\n0.161011 0.691486 0.694348 O\n0.000000 0.489423 0.489422 O\n0.985974 0.844476 0.442686 O\n0.615511 0.029410 0.735972 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-O-Sr",
"density": 4.243838801148533,
"density_atomic": 0.06624495535309238,
"volume": 543.4376068051721,
"volume_molar": 9.090716006828558,
"formula_full": "Sr10 B6 Br2 O18",
"formula_reduced": "Sr5B3BrO9",
"formula_anonymous": "AB3C5D9",
"energy_above_hull": 2.082214161388889,
"spacegroup": 20
},
{
"id": "jvasp-98264",
"created_at": "2022-09-04T14:35:55.613615Z",
"updated_at": "2022-09-04T14:35:55.613625Z",
"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.392602268828433,
"density_atomic": 0.10256771885805954,
"volume": 662.9766241959929,
"volume_molar": 5.871380222791017,
"formula_full": "Sn4 H32 C16 O16",
"formula_reduced": "SnH8(CO)4",
"formula_anonymous": "AB4C4D8",
"energy_above_hull": 4.002217982352941,
"spacegroup": 62
},
{
"id": "jvasp-106042",
"created_at": "2022-09-04T14:36:05.674053Z",
"updated_at": "2022-09-04T14:36:05.674081Z",
"structure_string": "Li1 Bi3 I2 O4\n1.0\n7.232201 0.018566 0.000000\n-5.047930 5.179139 0.000000\n0.000000 0.000000 5.631735\nLi Bi I O\n1 3 2 4\ndirect\n0.296681 0.703320 0.500000 Li\n0.839959 0.160042 0.000000 Bi\n0.169964 0.830037 0.000000 Bi\n0.667474 0.332528 0.500000 Bi\n0.008745 0.991255 0.500000 I\n0.502195 0.497806 0.000000 I\n0.506021 -0.001472 0.751575 O\n0.001473 0.493980 0.248426 O\n0.001473 0.493980 0.751575 O\n0.506021 -0.001472 0.248426 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-Li-O",
"density": 7.472888017578366,
"density_atomic": 0.047287292209768364,
"volume": 211.4733056745899,
"volume_molar": 12.735220137548872,
"formula_full": "Li1 Bi3 I2 O4",
"formula_reduced": "LiBi3(IO2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 1.350994945,
"spacegroup": 38
},
{
"id": "jvasp-86095",
"created_at": "2022-09-04T14:35:53.815268Z",
"updated_at": "2022-09-04T14:35:53.815284Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368219 0.039202 1.932702\n2.754581 5.741780 1.932702\n-0.036506 -0.023132 9.833210\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397298 0.397299 0.829108 Rb\n0.602701 0.602701 0.170891 Rb\n0.866065 0.866065 0.400907 Hg\n0.133934 0.133935 0.599093 Hg\n0.000000 0.000000 0.000000 Pd\n0.085096 0.085097 0.305975 Cl\n0.106689 0.623952 0.134375 Cl\n0.647877 0.647877 0.503505 Cl\n0.376047 0.893311 0.865624 Cl\n0.352122 0.352123 0.496495 Cl\n0.623952 0.106689 0.134375 Cl\n0.893310 0.376048 0.865624 Cl\n0.914903 0.914904 0.694024 Cl\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Cl"
],
"chemical_system": "Cl-Hg-Pd-Rb",
"density": 4.44977681544209,
"density_atomic": 0.03620640177073382,
"volume": 359.0525256367258,
"volume_molar": 16.63280653552209,
"formula_full": "Rb2 Hg2 Pd1 Cl8",
"formula_reduced": "Rb2Hg2PdCl8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 4.615384615429263e-06,
"spacegroup": 12
},
{
"id": "jvasp-48424",
"created_at": "2022-09-04T14:35:49.896311Z",
"updated_at": "2022-09-04T14:35:49.896335Z",
"structure_string": "Li10 Co2 O6 F2\n1.0\n-1.829513 -4.537131 -4.249456\n-1.829513 4.537131 -4.249456\n3.709143 0.000000 -2.853797\nLi Co O F\n10 2 6 2\ndirect\n0.955718 0.555595 0.251813 Li\n0.465995 0.041112 0.742777 Li\n0.208889 0.784006 0.507225 Li\n0.784006 0.208889 0.507225 Li\n0.984513 0.984513 0.006456 Li\n0.041112 0.465995 0.742777 Li\n0.694406 0.294283 0.998190 Li\n0.555595 0.955718 0.251813 Li\n0.294283 0.694406 0.998190 Li\n0.265487 0.265487 0.243546 Li\n0.753631 0.753631 0.749092 Co\n0.496369 0.496369 0.500911 Co\n0.230386 0.523607 0.377825 O\n0.763624 0.486377 0.625001 O\n0.523607 0.230386 0.377825 O\n0.486377 0.763624 0.625001 O\n0.726393 0.019615 0.872176 O\n0.019615 0.726393 0.872176 O\n0.977132 0.272868 0.125001 F\n0.272868 0.977132 0.125001 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 2.8018309414201377,
"density_atomic": 0.1050396334409336,
"volume": 190.40432020592016,
"volume_molar": 5.733208087960817,
"formula_full": "Li10 Co2 O6 F2",
"formula_reduced": "Li5CoO3F",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 1.4570681682499995,
"spacegroup": 12
}
]
}