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=structure_string&page=907",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=905",
"results": [
{
"id": "jvasp-9127",
"created_at": "2022-09-04T14:36:51.992718Z",
"updated_at": "2022-09-04T14:36:51.992735Z",
"structure_string": "Ca8 Si4\n1.0\n4.814795 0.000000 0.000000\n-0.000000 7.533483 0.000000\n0.000000 0.000000 8.988871\nCa Si\n8 4\ndirect\n0.750001 0.343888 0.074816 Ca\n0.250000 0.656112 0.925183 Ca\n0.750001 0.843888 0.425183 Ca\n0.250000 0.156112 0.574816 Ca\n0.250000 0.019505 0.180392 Ca\n0.750001 0.980495 0.819608 Ca\n0.250000 0.519505 0.319608 Ca\n0.750001 0.480495 0.680392 Ca\n0.250000 0.752023 0.604119 Si\n0.750001 0.247977 0.395881 Si\n0.250000 0.252023 0.895881 Si\n0.750001 0.747977 0.104119 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.2050788793455234,
"density_atomic": 0.03680463242724141,
"volume": 326.0459134790339,
"volume_molar": 16.36245320994603,
"formula_full": "Ca8 Si4",
"formula_reduced": "Ca2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.484929813333333,
"spacegroup": 62
},
{
"id": "jvasp-19103",
"created_at": "2022-09-04T14:37:05.304838Z",
"updated_at": "2022-09-04T14:37:05.304855Z",
"structure_string": "Ca8 Si4 O16\n1.0\n0.000000 5.541381 -0.021710\n6.780353 0.000000 0.000000\n0.000000 -4.761668 -9.268723\nCa Si O\n8 4 16\ndirect\n0.484536 0.502097 0.202322 Ca\n0.515463 0.002097 0.297678 Ca\n0.515463 0.497903 0.797678 Ca\n0.484536 0.997902 0.702321 Ca\n0.206527 0.156201 0.931509 Ca\n0.793472 0.656201 0.568490 Ca\n0.793472 0.843799 0.068491 Ca\n0.206527 0.343799 0.431509 Ca\n0.149373 0.781669 0.418159 Si\n0.850626 0.281669 0.081841 Si\n0.850626 0.218331 0.581841 Si\n0.149373 0.718330 0.918159 Si\n0.774582 0.514402 0.057579 O\n0.225417 0.014402 0.442420 O\n0.826623 0.751254 0.305182 O\n0.173376 0.251255 0.194817 O\n0.173376 0.248745 0.694817 O\n0.826623 0.748745 0.805182 O\n0.350659 0.666720 0.362944 O\n0.777721 0.330604 0.426519 O\n0.649340 0.333279 0.637055 O\n0.350659 0.833279 0.862944 O\n0.222278 0.669396 0.573480 O\n0.777721 0.169396 0.926519 O\n0.774582 0.985597 0.557579 O\n0.222278 0.830604 0.073480 O\n0.649340 0.166721 0.137056 O\n0.225417 0.485598 0.942420 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 3.2785166001582406,
"density_atomic": 0.08024067659364681,
"volume": 348.9501981868501,
"volume_molar": 7.50509718468253,
"formula_full": "Ca8 Si4 O16",
"formula_reduced": "Ca2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4707133485714283,
"spacegroup": 14
},
{
"id": "jvasp-4429",
"created_at": "2022-09-04T14:37:09.355717Z",
"updated_at": "2022-09-04T14:37:09.355748Z",
"structure_string": "Ca8 Si8 O24\n1.0\n7.170113 0.000000 0.000000\n0.000000 7.170113 -0.000000\n0.000000 -0.000000 7.261941\nCa Si O\n8 8 24\ndirect\n0.500000 0.000000 0.999967 Ca\n0.000000 0.500000 0.500032 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.499967 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000032 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.750000 0.250000 0.250000 Si\n0.750000 0.750000 0.250000 Si\n0.250000 0.750000 0.750000 Si\n0.250000 0.750000 0.250000 Si\n0.250000 0.250000 0.750000 Si\n0.750000 0.750000 0.750000 Si\n0.750047 0.750047 0.000000 O\n0.500000 0.723792 0.750044 O\n0.723791 0.000000 0.749957 O\n0.000000 0.223792 0.749956 O\n0.500000 0.223792 0.249957 O\n0.776208 0.500000 0.750042 O\n0.500000 0.776208 0.249957 O\n0.750047 0.249953 0.000000 O\n0.250047 0.749952 0.500000 O\n0.723792 0.500000 0.249956 O\n0.500000 0.276208 0.750044 O\n0.000000 0.723791 0.250043 O\n0.749952 0.250047 0.500000 O\n0.000000 0.776208 0.749956 O\n0.276208 0.000000 0.749957 O\n0.249953 0.750047 0.000000 O\n0.749952 0.749952 0.500000 O\n0.000000 0.276208 0.250043 O\n0.249953 0.249953 0.000000 O\n0.223792 0.500000 0.750042 O\n0.776208 0.000000 0.250044 O\n0.250047 0.250047 0.500000 O\n0.276208 0.500000 0.249956 O\n0.223792 0.000000 0.250044 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.133303799065376,
"density_atomic": 0.10714089622662361,
"volume": 373.3401661620629,
"volume_molar": 5.62076757997433,
"formula_full": "Ca8 Si8 O24",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506373904,
"spacegroup": 140
},
{
"id": "jvasp-13958",
"created_at": "2022-09-04T14:37:58.650478Z",
"updated_at": "2022-09-04T14:37:58.650505Z",
"structure_string": "Ca8 Si8 O24\n1.0\n7.170172 0.000000 0.000000\n0.000000 7.170172 -0.000000\n0.000000 -0.000000 7.261999\nCa Si O\n8 8 24\ndirect\n0.500000 0.000000 -0.000044 Ca\n0.000000 0.500000 0.500044 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.499956 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000044 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.750000 0.250000 0.250000 Si\n0.750000 0.750000 0.250000 Si\n0.250000 0.750000 0.750000 Si\n0.250000 0.750000 0.250000 Si\n0.250000 0.250000 0.750000 Si\n0.750000 0.750000 0.750000 Si\n0.750047 0.750047 0.000000 O\n0.500000 0.723775 0.750042 O\n0.723771 0.000000 0.749956 O\n0.000000 0.223775 0.749958 O\n0.500000 0.223771 0.249956 O\n0.776228 0.500000 0.750044 O\n0.500000 0.776228 0.249956 O\n0.750047 0.249952 0.000000 O\n0.250048 0.749952 0.500000 O\n0.723775 0.500000 0.249958 O\n0.500000 0.276225 0.750042 O\n0.000000 0.723771 0.250044 O\n0.749952 0.250048 0.500000 O\n0.000000 0.776225 0.749958 O\n0.276229 0.000000 0.749956 O\n0.249952 0.750047 0.000000 O\n0.749952 0.749952 0.500000 O\n0.000000 0.276229 0.250044 O\n0.249952 0.249952 0.000000 O\n0.223771 0.500000 0.750044 O\n0.776225 0.000000 0.250042 O\n0.250048 0.250048 0.500000 O\n0.276225 0.500000 0.249958 O\n0.223775 0.000000 0.250042 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.133202766036805,
"density_atomic": 0.1071382773121291,
"volume": 373.3492921812325,
"volume_molar": 5.620904975404374,
"formula_full": "Ca8 Si8 O24",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506371904,
"spacegroup": 140
},
{
"id": "jvasp-40208",
"created_at": "2022-09-04T14:38:36.246256Z",
"updated_at": "2022-09-04T14:38:36.246277Z",
"structure_string": "Ca8 Sn2 S12\n1.0\n-0.000578 -6.495785 4.514746\n5.626901 3.247399 4.513375\n-5.624680 3.249346 4.514755\nCa Sn S\n8 2 12\ndirect\n0.750007 0.750001 0.750266 Ca\n0.250010 0.250000 0.250263 Ca\n0.250008 0.636324 0.863937 Ca\n0.636334 0.863677 0.250263 Ca\n0.863683 0.250001 0.636588 Ca\n0.363685 0.136326 0.750262 Ca\n0.136333 0.750000 0.363938 Ca\n0.750010 0.363674 0.136588 Ca\n0.500009 0.499995 0.500271 Sn\n0.000005 0.000003 0.000269 Sn\n0.686904 0.051394 0.935057 S\n0.186903 0.434791 0.551656 S\n0.551402 0.186895 0.435056 S\n0.434800 0.551394 0.187154 S\n0.065219 0.313107 0.948871 S\n0.565216 0.448608 0.813368 S\n0.313118 0.948604 0.065473 S\n0.813116 0.565211 0.448873 S\n0.448613 0.813109 0.565474 S\n0.051401 0.934789 0.687154 S\n0.948618 0.065209 0.313368 S\n0.934799 0.686893 0.051658 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.163240493835212,
"density_atomic": 0.04445034803952746,
"volume": 494.93425744240534,
"volume_molar": 13.548017114837467,
"formula_full": "Ca8 Sn2 S12",
"formula_reduced": "Ca4SnS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.9480503072727272,
"spacegroup": 167
},
{
"id": "jvasp-40138",
"created_at": "2022-09-04T14:37:28.338542Z",
"updated_at": "2022-09-04T14:37:28.338563Z",
"structure_string": "Ca8 Sn2 S12\n1.0\n3.830069 -6.255610 0.000000\n-3.153956 -6.231352 2.327709\n-3.182210 -6.248650 -11.344364\nCa Sn S\n8 2 12\ndirect\n0.675505 0.542313 0.846965 Ca\n0.935217 0.042313 0.346965 Ca\n0.193262 0.216347 0.046129 Ca\n0.544262 0.716347 0.546129 Ca\n0.018731 0.831215 0.885574 Ca\n0.264480 0.331215 0.385574 Ca\n0.333542 0.249715 0.704257 Ca\n0.712485 0.749715 0.204257 Ca\n0.340826 0.663075 0.110247 Sn\n0.885854 0.163074 0.610247 Sn\n0.364752 0.854856 0.743194 S\n0.037198 0.354856 0.243194 S\n0.986644 0.941404 0.083795 S\n-0.011842 0.441404 0.583795 S\n0.124038 0.858372 0.523421 S\n0.613605 0.952570 0.367967 S\n0.586736 0.331746 0.514532 S\n0.566987 0.831746 0.014532 S\n0.065858 0.452570 0.867967 S\n0.697664 0.164793 0.789717 S\n0.494168 0.358372 0.023421 S\n0.347826 0.664793 0.289718 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.6241129857426713,
"density_atomic": 0.03687444433599925,
"volume": 596.6191598586927,
"volume_molar": 16.331475276281765,
"formula_full": "Ca8 Sn2 S12",
"formula_reduced": "Ca4SnS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.9520248527272728,
"spacegroup": 9
},
{
"id": "jvasp-12448",
"created_at": "2022-09-04T14:37:20.121611Z",
"updated_at": "2022-09-04T14:37:20.121636Z",
"structure_string": "Ca8 Sn4\n1.0\n5.095738 0.000000 0.000000\n0.000000 7.703334 0.000000\n0.000000 0.000000 9.496933\nCa Sn\n8 4\ndirect\n0.750000 0.334518 0.072296 Ca\n0.250000 0.665481 0.927704 Ca\n0.750000 0.834518 0.427704 Ca\n0.250000 0.165481 0.572296 Ca\n0.750000 0.479295 0.691277 Ca\n0.250000 0.520705 0.308723 Ca\n0.750000 0.979294 0.808723 Ca\n0.250000 0.020705 0.191277 Ca\n0.750000 0.753025 0.104977 Sn\n0.250000 0.246975 0.895023 Sn\n0.750000 0.253025 0.395023 Sn\n0.250000 0.746974 0.604977 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 3.5432388922379,
"density_atomic": 0.03218933859393314,
"volume": 372.7942394647926,
"volume_molar": 18.708494871451066,
"formula_full": "Ca8 Sn4",
"formula_reduced": "Ca2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-40210",
"created_at": "2022-09-04T14:38:31.231827Z",
"updated_at": "2022-09-04T14:38:31.231844Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n6.837899 0.000000 0.000000\n0.000000 7.388111 0.000000\n0.000000 0.000000 13.324179\nCa Sn S\n8 4 16\ndirect\n0.492931 0.897648 0.855655 Ca\n0.992932 0.602352 0.144345 Ca\n0.507069 0.397648 0.644345 Ca\n0.007069 0.102352 0.355655 Ca\n0.507060 0.102350 0.144343 Ca\n0.007060 0.397650 0.855657 Ca\n0.492940 0.602350 0.355657 Ca\n0.992940 0.897650 0.644343 Ca\n-0.000010 -0.000001 -0.000002 Sn\n0.499990 0.500001 0.000002 Sn\n0.000010 0.499999 0.500002 Sn\n0.500010 0.000001 0.499998 Sn\n0.875033 0.542400 0.674873 S\n0.375033 0.957600 0.325127 S\n0.875026 0.957603 0.174874 S\n0.375026 0.542397 0.825126 S\n0.124974 0.457603 0.325126 S\n0.624974 0.042397 0.674874 S\n0.814244 0.694577 0.944902 S\n0.814255 0.805423 0.444901 S\n0.185756 0.194577 0.555098 S\n0.685756 0.305422 0.444902 S\n0.185745 0.305423 0.055099 S\n0.685745 0.194577 0.944901 S\n0.624967 0.457600 0.174873 S\n0.314255 0.694577 0.555099 S\n0.314244 0.805422 0.055098 S\n0.124967 0.042400 0.825127 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2279559546295724,
"density_atomic": 0.0415969491657773,
"volume": 673.1262883826153,
"volume_molar": 14.477361635344508,
"formula_full": "Ca8 Sn4 S16",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9527946485714286,
"spacegroup": 61
},
{
"id": "jvasp-40200",
"created_at": "2022-09-04T14:38:02.073834Z",
"updated_at": "2022-09-04T14:38:02.073856Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n6.998026 -0.000000 0.000000\n-0.000000 8.450825 0.000000\n0.000000 0.000000 12.699088\nCa Sn S\n8 4 16\ndirect\n0.750000 0.093316 0.345008 Ca\n0.750000 0.593316 0.154992 Ca\n0.250000 0.906684 0.654992 Ca\n0.250000 0.406684 0.845008 Ca\n0.750000 0.379717 0.573591 Ca\n0.750000 0.879717 0.926409 Ca\n0.250000 0.620284 0.426409 Ca\n0.250000 0.120284 0.073591 Ca\n0.250000 0.219248 0.467275 Sn\n0.250000 0.719248 0.032725 Sn\n0.750000 0.780753 0.532725 Sn\n0.750000 0.280753 0.967275 Sn\n0.750000 0.763831 0.344822 S\n0.750000 0.263831 0.155178 S\n0.250000 0.446614 0.079719 S\n0.250000 0.946614 0.420281 S\n0.750000 0.553387 0.920282 S\n0.750000 0.053386 0.579719 S\n0.513206 0.861607 0.109854 S\n0.986794 0.861607 0.109854 S\n0.013206 0.138394 0.890147 S\n0.486794 0.638394 0.609854 S\n0.486794 0.138394 0.890147 S\n0.013206 0.638394 0.609854 S\n0.250000 0.736170 0.844822 S\n0.513206 0.361606 0.390147 S\n0.986794 0.361606 0.390147 S\n0.250000 0.236170 0.655178 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.8931900259653984,
"density_atomic": 0.03728299894068016,
"volume": 751.0125471545339,
"volume_molar": 16.1525116838955,
"formula_full": "Ca8 Sn4 S16",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9715175057142856,
"spacegroup": 62
},
{
"id": "jvasp-40139",
"created_at": "2022-09-04T14:37:42.501602Z",
"updated_at": "2022-09-04T14:37:42.501618Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n7.094817 -0.000000 0.000000\n0.000000 7.946385 0.000000\n0.000000 0.000000 11.389802\nCa Sn S\n8 4 16\ndirect\n0.094313 -0.000020 0.684443 Ca\n0.405687 0.500019 0.184443 Ca\n0.905687 0.499980 0.315556 Ca\n0.594313 0.000020 0.815556 Ca\n0.905687 0.000020 0.315556 Ca\n0.594313 0.499980 0.815556 Ca\n0.094313 0.500019 0.684443 Ca\n0.405687 -0.000020 0.184443 Ca\n0.499968 0.250000 0.499988 Sn\n0.000032 0.250000 -0.000012 Sn\n0.500032 0.750000 0.500012 Sn\n-0.000032 0.750000 0.000012 Sn\n0.738267 0.499998 0.551660 S\n0.761733 0.000002 0.051660 S\n0.738267 0.000002 0.551660 S\n0.761733 0.499998 0.051660 S\n0.261733 0.500001 0.448339 S\n0.238267 -0.000002 0.948339 S\n0.625903 0.250000 0.294121 S\n0.625944 0.750000 0.294136 S\n0.374097 0.750000 0.705879 S\n0.125903 0.750000 0.205879 S\n0.374056 0.250000 0.705863 S\n0.125944 0.250000 0.205863 S\n0.238267 0.500001 0.948339 S\n0.874056 0.750000 0.794136 S\n0.874097 0.250000 0.794121 S\n0.261733 -0.000002 0.448339 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.3837414937599157,
"density_atomic": 0.04360447443658346,
"volume": 642.135935859565,
"volume_molar": 13.810832117145114,
"formula_full": "Ca8 Sn4 S16",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9428375057142856,
"spacegroup": 55
},
{
"id": "jvasp-40216",
"created_at": "2022-09-04T14:37:58.455101Z",
"updated_at": "2022-09-04T14:37:58.455118Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n8.619524 -0.000000 0.000000\n0.000000 8.619524 0.000000\n-0.000000 -0.000000 9.064868\nCa Sn S\n8 4 16\ndirect\n0.260647 0.000000 0.250000 Ca\n0.739353 0.000000 0.750000 Ca\n0.000000 0.260647 0.500000 Ca\n0.000000 0.739353 0.000000 Ca\n0.239810 0.239810 0.875000 Ca\n0.760189 0.760189 0.375000 Ca\n0.760189 0.239810 0.125000 Ca\n0.239810 0.760189 0.625000 Ca\n0.500000 0.748874 0.000000 Sn\n0.500000 0.251126 0.500000 Sn\n0.748874 0.500000 0.750000 Sn\n0.251126 0.500000 0.250000 Sn\n0.456926 0.729099 0.276563 S\n0.543073 0.270901 0.776563 S\n0.270901 0.543073 -0.026563 S\n0.729099 0.456926 0.473437 S\n0.543073 0.729099 0.723437 S\n0.456926 0.270901 0.223437 S\n0.733417 0.933775 0.050332 S\n0.933775 0.733417 0.699668 S\n0.066225 0.733417 0.300332 S\n0.933775 0.266583 0.800332 S\n0.266583 0.933775 -0.050332 S\n0.733417 0.066225 0.449668 S\n0.270901 0.456926 0.526563 S\n0.066225 0.266583 0.199668 S\n0.266583 0.066225 0.550332 S\n0.729099 0.543073 0.026563 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2262357637227668,
"density_atomic": 0.04157478198174147,
"volume": 673.4851913907053,
"volume_molar": 14.485080794037026,
"formula_full": "Ca8 Sn4 S16",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9545403628571428,
"spacegroup": 91
},
{
"id": "jvasp-86114",
"created_at": "2022-09-04T14:36:13.440743Z",
"updated_at": "2022-09-04T14:36:13.440757Z",
"structure_string": "Ca8 Ti2 N8\n1.0\n5.883254 0.013980 1.098138\n1.930044 5.374745 1.898731\n0.011736 -0.004373 8.975774\nCa Ti N\n8 2 8\ndirect\n0.234418 0.955109 0.607549 Ca\n0.772969 0.579394 0.176816 Ca\n0.738373 0.229742 0.980497 Ca\n0.271056 0.519741 0.426942 Ca\n0.765582 0.044891 0.392451 Ca\n0.227031 0.420606 0.823184 Ca\n0.728944 0.480258 0.573058 Ca\n0.261626 0.770257 0.019503 Ca\n0.284869 0.151703 0.243558 Ti\n0.715130 0.848297 0.756442 Ti\n0.970646 0.708412 0.609434 N\n0.511017 0.177259 0.635742 N\n0.029354 0.291588 0.390566 N\n0.516832 0.634184 0.804185 N\n0.116448 0.167885 0.072204 N\n0.488983 0.822740 0.364258 N\n0.483167 0.365816 0.195815 N\n0.883551 0.832115 0.927796 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"N"
],
"chemical_system": "Ca-N-Ti",
"density": 3.0944950886082245,
"density_atomic": 0.0634805765431746,
"volume": 283.55129994381485,
"volume_molar": 9.48658800523685,
"formula_full": "Ca8 Ti2 N8",
"formula_reduced": "Ca4TiN4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.8314003348148145,
"spacegroup": 2
}
]
}