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=-volume&page=591",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=589",
"results": [
{
"id": "jvasp-45078",
"created_at": "2022-09-04T14:38:08.433428Z",
"updated_at": "2022-09-04T14:38:08.433453Z",
"structure_string": "Na6 Mn2 P2 C2 O14\n1.0\n0.000000 5.282388 -0.002550\n6.621327 0.000000 0.000000\n0.000000 -0.077293 -9.002156\nNa Mn P C O\n6 2 2 2 14\ndirect\n-0.000040 0.513567 0.999952 Na\n0.560739 0.763701 0.836402 Na\n0.500109 0.513412 0.500065 Na\n0.499892 0.013412 0.499935 Na\n0.439262 0.263701 0.163599 Na\n0.000041 0.013567 0.000049 Na\n0.979963 0.263456 0.704567 Mn\n0.020038 0.763456 0.295433 Mn\n0.984093 0.263470 0.342675 P\n0.015908 0.763470 0.657325 P\n0.502719 0.263477 0.850410 C\n0.497282 0.763477 0.149590 C\n0.072620 0.450419 0.251038 O\n0.072867 0.076514 0.251129 O\n0.443192 0.763338 0.288982 O\n0.696382 0.263390 0.364561 O\n0.127414 0.263578 0.494837 O\n0.872587 0.763579 0.505164 O\n0.680849 0.263519 0.950776 O\n0.556809 0.263337 0.711019 O\n0.927134 0.576514 0.748871 O\n0.927381 0.950419 0.748962 O\n0.265802 0.263562 0.892937 O\n0.734199 0.763562 0.107063 O\n0.303619 0.763390 0.635439 O\n0.319152 0.763519 0.049225 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.9416070138756485,
"density_atomic": 0.08257520854334673,
"volume": 314.8644788023957,
"volume_molar": 7.292916198738705,
"formula_full": "Na6 Mn2 P2 C2 O14",
"formula_reduced": "Na3MnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.4899972493368714,
"spacegroup": 11
},
{
"id": "jvasp-33742",
"created_at": "2022-09-04T14:38:04.228616Z",
"updated_at": "2022-09-04T14:38:04.228628Z",
"structure_string": "Si1 H18 C2 N8 O2 F6\n1.0\n6.443847 -0.124837 -0.038382\n-0.038487 6.571076 -0.154353\n0.909571 2.389262 7.374557\nSi H C N O F\n1 18 2 8 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.773045 0.619757 0.943263 H\n0.887602 0.230931 0.300293 H\n0.737992 0.390963 0.918115 H\n0.839182 0.832109 0.385383 H\n0.775616 0.686562 0.614555 H\n0.707273 0.137148 0.679421 H\n0.540560 0.383990 0.254158 H\n0.451116 0.078812 0.791663 H\n0.885099 0.475722 0.322880 H\n0.459440 0.616010 0.745843 H\n0.292726 0.862852 0.320580 H\n0.224384 0.313438 0.385446 H\n0.160817 0.167890 0.614618 H\n0.262008 0.609037 0.081886 H\n0.112398 0.769069 0.699708 H\n0.226955 0.380242 0.056738 H\n0.114901 0.524278 0.677121 H\n0.548884 0.921187 0.208338 H\n0.474991 0.237705 0.522920 C\n0.525009 0.762294 0.477081 C\n0.823026 0.322815 0.376379 N\n0.730077 0.756520 0.490177 N\n0.606212 0.322053 0.371482 N\n0.550002 0.153041 0.678837 N\n0.393787 0.677947 0.628520 N\n0.269923 0.243480 0.509824 N\n0.176974 0.677185 0.623622 N\n0.449998 0.846958 0.321164 N\n0.277560 0.456656 0.137617 O\n0.722439 0.543344 0.862384 O\n0.874582 0.753007 0.087102 F\n0.046355 0.000372 0.212763 F\n0.125418 0.246992 0.912899 F\n0.234895 0.885871 0.970803 F\n0.765105 0.114128 0.029198 F\n0.953645 -0.000373 0.787237 F\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Si",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-N-O-Si",
"density": 1.7314233103518675,
"density_atomic": 0.1175153887112905,
"volume": 314.85238151150463,
"volume_molar": 5.12455502725271,
"formula_full": "Si1 H18 C2 N8 O2 F6",
"formula_reduced": "SiH18C2N8(OF3)2",
"formula_anonymous": "AB2C2D6E8F18",
"energy_above_hull": 3.70865576472973,
"spacegroup": 2
},
{
"id": "jvasp-28721",
"created_at": "2022-09-04T14:36:46.882284Z",
"updated_at": "2022-09-04T14:36:46.882310Z",
"structure_string": "Mo3 W1 Se4 S4\n1.0\n3.257817 0.000000 0.000000\n-1.628908 2.821337 0.000004\n0.000000 0.000027 34.248116\nMo W Se S\n3 1 4 4\ndirect\n0.333305 0.666612 0.094842 Mo\n0.333327 0.666653 0.469274 Mo\n0.666673 0.333346 0.282070 Mo\n0.666695 0.333389 0.656727 W\n0.333346 0.666695 0.331648 Se\n0.333367 0.666734 0.706567 Se\n0.333333 0.666666 0.232494 Se\n0.333352 0.666706 0.606834 Se\n0.666642 0.333282 0.049746 S\n0.666653 0.333304 0.424127 S\n0.666645 0.333289 0.139999 S\n0.666670 0.333337 0.514420 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.830726300051266,
"density_atomic": 0.03812087939459603,
"volume": 314.7881211182422,
"volume_molar": 15.797486457916527,
"formula_full": "Mo3 W1 Se4 S4",
"formula_reduced": "Mo3W(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.906194263888889,
"spacegroup": 156
},
{
"id": "jvasp-111859",
"created_at": "2022-09-04T14:38:42.151875Z",
"updated_at": "2022-09-04T14:38:42.151893Z",
"structure_string": "Lu3 Mg2 Ti1 S8\n1.0\n6.653428 0.000695 3.841269\n2.217445 6.158426 3.841352\n-0.000107 0.000046 7.682532\nLu Mg Ti S\n3 2 1 8\ndirect\n0.500001 0.500005 0.499993 Lu\n0.499999 0.499996 0.000000 Lu\n0.000000 0.499998 0.500003 Lu\n0.875698 0.872921 0.875692 Mg\n0.124304 0.127080 0.124308 Mg\n0.500003 -0.000001 0.500003 Ti\n0.735485 0.758694 0.735510 S\n0.264524 0.241298 0.729687 S\n0.255516 0.733398 0.255536 S\n0.729685 0.241270 0.264524 S\n0.744480 0.266602 0.744458 S\n0.270316 0.758732 0.735472 S\n0.264514 0.241300 0.264497 S\n0.735482 0.758704 0.270313 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Lu",
"Mg",
"Ti",
"S"
],
"chemical_system": "Lu-Mg-S-Ti",
"density": 4.631135786295927,
"density_atomic": 0.044475659166257855,
"volume": 314.7789209298851,
"volume_molar": 13.540306929433417,
"formula_full": "Lu3 Mg2 Ti1 S8",
"formula_reduced": "Lu3Mg2TiS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.7443516916666666,
"spacegroup": 166
},
{
"id": "jvasp-107629",
"created_at": "2022-09-04T14:36:53.517151Z",
"updated_at": "2022-09-04T14:36:53.517170Z",
"structure_string": "Rb2 Na1 Ce1 Cl6\n1.0\n6.612371 -0.000000 3.817654\n2.204124 6.234203 3.817654\n-0.000000 -0.000000 7.635308\nRb Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.747674 0.252326 0.252326 Cl\n0.252326 0.252326 0.747674 Cl\n0.252326 0.747674 0.747674 Cl\n0.252326 0.747674 0.252326 Cl\n0.747674 0.252326 0.747674 Cl\n0.747674 0.747674 0.252325 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ce",
"Cl"
],
"chemical_system": "Ce-Cl-Na-Rb",
"density": 2.8845669169043884,
"density_atomic": 0.03177132206095697,
"volume": 314.7492566036074,
"volume_molar": 18.954643273722837,
"formula_full": "Rb2 Na1 Ce1 Cl6",
"formula_reduced": "Rb2NaCeCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-24318",
"created_at": "2022-09-04T14:38:28.534167Z",
"updated_at": "2022-09-04T14:38:28.534185Z",
"structure_string": "Pr4 Zr4 O14\n1.0\n6.612214 0.000000 3.817563\n2.204071 6.234055 3.817563\n0.000000 0.000000 7.635127\nPr Zr O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 -0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 -0.000000 0.500000 Pr\n0.500000 -0.000000 -0.000000 Zr\n0.000000 0.000000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n0.000000 0.500000 -0.000000 Zr\n0.916487 0.333512 0.333512 O\n0.333512 0.333512 0.916488 O\n0.666487 0.666487 0.083512 O\n0.083512 0.666487 0.083512 O\n0.916487 0.333512 0.916488 O\n0.625000 0.625000 0.625000 O\n0.916487 0.916487 0.333512 O\n0.333512 0.916487 0.333513 O\n0.666487 0.083512 0.083512 O\n0.083512 0.083512 0.666488 O\n0.666487 0.083512 0.666488 O\n0.333512 0.916487 0.916488 O\n0.083512 0.666487 0.666488 O\n0.375000 0.375000 0.375000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pr",
"Zr",
"O"
],
"chemical_system": "O-Pr-Zr",
"density": 6.0808332476129126,
"density_atomic": 0.06990188466378171,
"volume": 314.7268504392539,
"volume_molar": 8.61513361043934,
"formula_full": "Pr4 Zr4 O14",
"formula_reduced": "Pr2Zr2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.8407948363636364,
"spacegroup": 227
},
{
"id": "jvasp-103790",
"created_at": "2022-09-04T14:36:39.746741Z",
"updated_at": "2022-09-04T14:36:39.746767Z",
"structure_string": "H16 C18 O2\n1.0\n4.434753 0.070803 -0.861560\n-0.443687 6.523251 -0.910659\n-0.128493 0.032788 10.885712\nH C O\n16 18 2\ndirect\n0.894418 0.251249 0.802505 H\n0.483257 0.937084 0.181114 H\n0.483258 0.437086 0.681114 H\n0.044398 0.256510 0.605540 H\n0.634581 0.437615 0.486248 H\n0.634581 0.937615 0.986249 H\n0.642952 0.919834 0.668436 H\n0.642952 0.419833 0.168436 H\n0.044396 0.756509 0.105541 H\n0.172431 0.406898 0.318532 H\n0.106655 0.693976 0.696109 H\n0.106655 0.193975 0.196109 H\n0.375974 0.103673 0.695619 H\n0.375973 0.603672 0.195619 H\n0.894417 0.751248 0.302506 H\n0.172432 0.906899 0.818533 H\n0.528148 0.697683 0.826755 C\n0.606310 0.004976 0.274966 C\n0.606311 0.504977 0.774966 C\n0.836451 0.902330 0.341165 C\n0.836452 0.402331 0.841165 C\n0.401040 0.942108 0.663464 C\n0.401040 0.442107 0.163464 C\n0.528148 0.197682 0.326755 C\n0.998946 0.989735 0.461533 C\n0.279496 0.807795 0.752972 C\n0.691087 0.286537 0.446288 C\n0.691087 0.786537 0.946288 C\n0.922549 0.183489 0.512920 C\n0.922548 0.683489 0.012920 C\n0.243925 0.872207 0.526977 C\n0.243925 0.372207 0.026977 C\n0.279496 0.307794 0.252972 C\n0.998946 0.489736 0.961533 C\n0.315756 0.209460 0.972271 O\n0.315754 0.709460 0.472271 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.3947593874586293,
"density_atomic": 0.11439979177327043,
"volume": 314.68588746515024,
"volume_molar": 5.2641186375018165,
"formula_full": "H16 C18 O2",
"formula_reduced": "H8C9O",
"formula_anonymous": "AB8C9",
"energy_above_hull": 5.391382416666666,
"spacegroup": 1
},
{
"id": "jvasp-12317",
"created_at": "2022-09-04T14:38:10.236390Z",
"updated_at": "2022-09-04T14:38:10.236419Z",
"structure_string": "Ba4 In4 O10\n1.0\n5.705268 0.000000 -1.910038\n-0.671025 5.809178 -2.004346\n0.006982 -0.011672 9.496671\nBa In O\n4 4 10\ndirect\n0.589293 0.123955 0.218491 Ba\n0.089292 0.594537 0.218490 Ba\n0.870801 0.405463 0.781509 Ba\n0.370800 0.876046 0.781509 Ba\n0.975304 -0.000000 -0.000000 In\n0.475303 0.500000 -0.000000 In\n0.255212 0.187755 0.500000 In\n0.755212 0.812246 0.499999 In\n0.737435 0.753828 0.016430 O\n0.100221 0.880931 0.500000 O\n0.237435 0.762604 0.016430 O\n0.089317 0.191417 0.274606 O\n0.814711 0.808583 0.725394 O\n0.589317 0.583189 0.274605 O\n0.314711 0.416812 0.725394 O\n0.600222 0.119070 0.500000 O\n0.221004 0.237397 0.983569 O\n0.721004 0.246173 0.983569 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"In",
"O"
],
"chemical_system": "Ba-In-O",
"density": 6.166533805546109,
"density_atomic": 0.05720161689720534,
"volume": 314.6764195904996,
"volume_molar": 10.527920514593392,
"formula_full": "Ba4 In4 O10",
"formula_reduced": "Ba2In2O5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.1421654866666668,
"spacegroup": 46
},
{
"id": "jvasp-120596",
"created_at": "2022-09-04T14:38:53.582537Z",
"updated_at": "2022-09-04T14:38:53.582563Z",
"structure_string": "Li4 Nb2 Ni3 Sn3 O16\n1.0\n6.089798 -0.007593 0.087547\n3.016841 5.290026 0.087547\n0.020723 0.012020 9.760862\nLi Nb Ni Sn O\n4 2 3 3 16\ndirect\n0.676621 0.676623 0.897674 Li\n0.982477 0.982479 0.985562 Li\n0.991359 0.991362 0.499656 Li\n0.332831 0.332832 0.406835 Li\n0.674843 0.674844 0.500135 Nb\n0.351551 0.351552 0.977979 Nb\n0.829266 0.829268 0.214456 Ni\n0.661198 0.171255 0.712460 Ni\n0.171254 0.661199 0.712460 Ni\n0.170410 0.170411 0.715924 Sn\n0.832895 0.337717 0.214177 Sn\n0.337715 0.832896 0.214177 Sn\n0.161261 0.161262 0.091437 O\n0.663498 0.169718 0.092833 O\n0.336747 0.336748 0.608772 O\n0.039044 0.480855 0.851042 O\n0.480854 0.039045 0.851042 O\n0.828939 0.828941 0.594272 O\n0.516619 0.960163 0.345937 O\n0.512761 0.512763 0.342321 O\n0.335195 0.834370 0.587976 O\n0.996069 0.996071 0.802791 O\n0.994862 0.994864 0.313906 O\n0.668014 0.668015 0.100155 O\n0.489516 0.489517 0.847098 O\n0.834369 0.335196 0.587976 O\n0.960162 0.516621 0.345937 O\n0.169717 0.663499 0.092833 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Sn",
"density": 5.2866489487428625,
"density_atomic": 0.08898528467573433,
"volume": 314.65876748085975,
"volume_molar": 6.7675692469208855,
"formula_full": "Li4 Nb2 Ni3 Sn3 O16",
"formula_reduced": "Li4Nb2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.5298552535714287,
"spacegroup": 8
},
{
"id": "jvasp-50625",
"created_at": "2022-09-04T14:36:59.925776Z",
"updated_at": "2022-09-04T14:36:59.925788Z",
"structure_string": "Sr2 Hf7 O16\n1.0\n6.386835 0.000000 0.000000\n-3.193417 1.843720 8.907016\n3.193417 -5.531161 -0.000000\nSr Hf O\n2 7 16\ndirect\n0.333739 0.001216 0.333739 Sr\n0.666261 0.998784 0.666261 Sr\n0.000000 0.000000 0.000000 Hf\n0.252303 0.654025 0.514618 Hf\n0.112897 0.345975 0.747697 Hf\n0.485382 0.345975 0.112897 Hf\n0.514618 0.654025 0.887103 Hf\n0.887102 0.654025 0.252303 Hf\n0.747696 0.345975 0.485382 Hf\n0.850680 0.590109 0.590558 O\n0.851127 0.409891 0.149320 O\n0.962430 0.872137 0.230438 O\n0.679268 0.872137 0.962431 O\n0.409442 0.409891 0.851127 O\n0.429923 0.289771 0.429923 O\n0.570076 0.710229 0.570077 O\n0.148873 0.590109 0.850680 O\n0.320731 0.127863 0.037569 O\n0.037570 0.127863 0.769562 O\n0.769561 0.127863 0.320732 O\n0.149320 0.409891 0.409442 O\n0.230438 0.872137 0.679268 O\n0.236048 0.708145 0.236049 O\n0.590558 0.590109 0.148873 O\n0.763951 0.291855 0.763951 O\n",
"nsites": 25,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 8.869412134347181,
"density_atomic": 0.07945217301179508,
"volume": 314.6547042368322,
"volume_molar": 7.579579678841487,
"formula_full": "Sr2 Hf7 O16",
"formula_reduced": "Sr2Hf7O16",
"formula_anonymous": "A2B7C16",
"energy_above_hull": 3.725097184800001,
"spacegroup": 148
},
{
"id": "jvasp-30980",
"created_at": "2022-09-04T14:38:32.690254Z",
"updated_at": "2022-09-04T14:38:32.690279Z",
"structure_string": "B12 H20 N2\n1.0\n6.611131 -0.000000 3.816938\n2.203710 6.233034 3.816938\n-0.000000 -0.000000 7.633876\nB H N\n12 20 2\ndirect\n0.215732 0.784268 0.948244 B\n0.215732 0.948242 0.051758 B\n0.051757 0.215732 0.948244 B\n0.948243 0.051757 0.215732 B\n0.784268 0.215732 0.051757 B\n0.948243 0.784268 0.051758 B\n0.784268 0.948242 0.215733 B\n0.051757 0.948242 0.784269 B\n0.215732 0.051757 0.784269 B\n0.051757 0.784268 0.215732 B\n0.784268 0.051757 0.948244 B\n0.948243 0.215732 0.784269 B\n0.909503 0.368649 0.631352 H\n0.194632 0.194632 0.194632 H\n0.416103 0.194632 0.194632 H\n0.194632 0.416102 0.194632 H\n0.909503 0.090497 0.368649 H\n0.805368 0.805367 0.805369 H\n0.631351 0.090497 0.909504 H\n0.583897 0.805367 0.805369 H\n0.194632 0.194632 0.416103 H\n0.090497 0.631351 0.368649 H\n0.805368 0.805367 0.583898 H\n0.368649 0.090497 0.631352 H\n0.090497 0.909502 0.631352 H\n0.631351 0.909502 0.368650 H\n0.909503 0.631351 0.090498 H\n0.631351 0.368649 0.090498 H\n0.805368 0.583897 0.805369 H\n0.090497 0.368649 0.909504 H\n0.368649 0.909502 0.090498 H\n0.368649 0.631351 0.909504 H\n0.750000 0.750000 0.750001 N\n0.250000 0.250000 0.250000 N\n",
"nsites": 34,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 0.939106699159531,
"density_atomic": 0.10808329028790228,
"volume": 314.5722147191665,
"volume_molar": 5.571759283011072,
"formula_full": "B12 H20 N2",
"formula_reduced": "B6H10N",
"formula_anonymous": "AB6C10",
"energy_above_hull": 4.240876397058823,
"spacegroup": 202
},
{
"id": "jvasp-32419",
"created_at": "2022-09-04T14:37:56.985594Z",
"updated_at": "2022-09-04T14:37:56.985611Z",
"structure_string": "H24 C10 N4 O2\n1.0\n5.399529 0.000000 0.000000\n0.000000 6.762062 0.000000\n0.000000 0.000000 8.615557\nH C N O\n24 10 4 2\ndirect\n0.785147 0.321854 0.044493 H\n0.443090 0.688502 0.432238 H\n0.214854 0.178146 0.544493 H\n0.233153 0.633058 0.072197 H\n0.214854 0.821854 0.544493 H\n0.556910 0.811498 0.932238 H\n0.754768 0.866069 0.288479 H\n0.754768 0.133931 0.288479 H\n0.233153 0.366941 0.072197 H\n0.797479 0.322554 0.834394 H\n0.797479 0.677445 0.834394 H\n0.556910 0.188502 0.932238 H\n0.443090 0.311498 0.432238 H\n0.513125 0.000000 0.189748 H\n0.766848 0.866941 0.572197 H\n0.531082 0.000000 0.677594 H\n0.245232 0.633931 0.788479 H\n0.245232 0.366069 0.788479 H\n0.486875 0.500000 0.689748 H\n0.202521 0.822554 0.334394 H\n0.468918 0.500000 0.177594 H\n0.785147 0.678145 0.044493 H\n0.202521 0.177445 0.334394 H\n0.766848 0.133059 0.572197 H\n0.359957 0.500000 0.789186 C\n0.640044 0.000000 0.289186 C\n0.676890 0.319352 0.936765 C\n0.323110 0.180648 0.436765 C\n0.349171 0.500000 0.074602 C\n0.875298 0.500000 0.438985 C\n0.650829 0.000000 0.574603 C\n0.676890 0.680648 0.936765 C\n0.323110 0.819352 0.436765 C\n0.124702 0.000000 0.938986 C\n0.485207 0.000000 0.434126 N\n0.142228 0.000000 0.800501 N\n0.857772 0.500000 0.300501 N\n0.514793 0.500000 0.934126 N\n0.109060 0.000000 0.081328 O\n0.890940 0.500000 0.581328 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.2263747980212558,
"density_atomic": 0.12715738991760975,
"volume": 314.57078527577175,
"volume_molar": 4.735973869786083,
"formula_full": "H24 C10 N4 O2",
"formula_reduced": "H12C5N2O",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 4.6528575,
"spacegroup": 31
}
]
}