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=-elements&page=578",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=576",
"results": [
{
"id": "jvasp-85684",
"created_at": "2022-09-04T14:35:41.713703Z",
"updated_at": "2022-09-04T14:35:41.713736Z",
"structure_string": "Hg2 H4 N2 Cl2\n1.0\n6.841971 0.000000 0.000000\n0.000000 4.404313 0.000000\n0.000000 0.000000 5.095614\nHg H N Cl\n2 4 2 2\ndirect\n0.500000 0.000000 0.000000 Hg\n0.000000 0.000000 0.000000 Hg\n0.250000 0.811505 0.362282 H\n0.750000 0.811505 0.637717 H\n0.750000 0.188494 0.637717 H\n0.250000 0.188494 0.362282 H\n0.250000 0.000000 0.240176 N\n0.750000 0.000000 0.759823 N\n0.250000 0.500000 0.715735 Cl\n0.750000 0.500000 0.284264 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Hg",
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-Hg-N",
"density": 5.451759796814231,
"density_atomic": 0.06512445074307661,
"volume": 153.55215876524073,
"volume_molar": 9.247127140861476,
"formula_full": "Hg2 H4 N2 Cl2",
"formula_reduced": "HgH2NCl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.8043843835000004,
"spacegroup": 51
},
{
"id": "jvasp-32197",
"created_at": "2022-09-04T14:35:42.966709Z",
"updated_at": "2022-09-04T14:35:42.966739Z",
"structure_string": "Hg4 H4 Cl4 O16\n1.0\n4.726908 -0.000000 0.000000\n-0.000000 7.232356 0.000000\n0.000000 0.000000 11.391839\nHg H Cl O\n4 4 4 16\ndirect\n0.435811 0.000000 0.750000 Hg\n0.564189 0.000000 0.250000 Hg\n0.435811 0.500000 0.750000 Hg\n0.564189 0.500000 0.250000 Hg\n0.455497 0.750000 0.412721 H\n0.455497 0.250000 0.087279 H\n0.544504 0.250000 0.587279 H\n0.544504 0.750000 0.912721 H\n0.002370 0.750000 0.557079 Cl\n0.002370 0.250000 0.942921 Cl\n0.997631 0.250000 0.442921 Cl\n0.997631 0.750000 0.057079 Cl\n0.419978 0.250000 0.658989 O\n0.068930 0.582300 0.128598 O\n0.068930 0.417700 0.371402 O\n0.931070 0.082300 0.871402 O\n0.931070 0.917700 0.628598 O\n0.674055 0.750000 0.049029 O\n0.674055 0.250000 0.450971 O\n0.325945 0.750000 0.549029 O\n0.068930 0.082300 0.371402 O\n0.068930 0.917700 0.128598 O\n0.931070 0.582300 0.628598 O\n0.931070 0.417700 0.871402 O\n0.580022 0.750000 0.341011 O\n0.580022 0.250000 0.158989 O\n0.419978 0.750000 0.841012 O\n0.325945 0.250000 0.950971 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Hg-O",
"density": 5.134460659046946,
"density_atomic": 0.07189641703063553,
"volume": 389.4491708546341,
"volume_molar": 8.3761347348282,
"formula_full": "Hg4 H4 Cl4 O16",
"formula_reduced": "HgHClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6974446667857137,
"spacegroup": 57
},
{
"id": "jvasp-33034",
"created_at": "2022-09-04T14:37:31.442205Z",
"updated_at": "2022-09-04T14:37:31.442229Z",
"structure_string": "Hg1 H12 Cl2 O14\n1.0\n7.911743 -0.000027 -0.000004\n-3.955895 6.851701 -0.000054\n-0.000001 -0.000043 5.403399\nHg H Cl O\n1 12 2 14\ndirect\n0.000000 0.000000 0.000000 Hg\n0.356009 0.278529 0.265151 H\n0.922523 0.643988 0.265147 H\n0.721468 0.077485 0.265145 H\n0.356008 0.077478 0.265150 H\n0.721471 0.643984 0.265143 H\n0.922521 0.278537 0.265149 H\n0.643991 0.721471 0.734851 H\n0.077477 0.356012 0.734854 H\n0.278532 0.922514 0.734856 H\n0.643993 0.922522 0.734851 H\n0.278529 0.356016 0.734858 H\n0.077479 0.721463 0.734854 H\n0.333335 0.666667 0.188297 Cl\n0.666666 0.333332 0.811705 Cl\n0.666665 0.333333 0.080462 O\n0.272486 0.136242 0.273929 O\n0.863759 0.727514 0.273931 O\n0.863756 0.136246 0.273937 O\n0.727514 0.863757 0.726073 O\n0.136241 0.272486 0.726071 O\n0.136244 0.863754 0.726065 O\n0.867323 0.433662 0.720134 O\n0.566336 0.132674 0.720128 O\n0.566339 0.433661 0.720136 O\n0.132677 0.566337 0.279868 O\n0.433664 0.867325 0.279873 O\n0.433662 0.566337 0.279866 O\n0.333335 0.666667 0.919539 O\n",
"nsites": 29,
"nelements": 4,
"elements": [
"Hg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Hg-O",
"density": 2.8775263326206333,
"density_atomic": 0.09900593771552324,
"volume": 292.91172498488504,
"volume_molar": 6.082605648666851,
"formula_full": "Hg1 H12 Cl2 O14",
"formula_reduced": "HgH12(ClO7)2",
"formula_anonymous": "AB2C12D14",
"energy_above_hull": 2.777338680517241,
"spacegroup": 164
},
{
"id": "jvasp-97647",
"created_at": "2022-09-04T14:36:18.831379Z",
"updated_at": "2022-09-04T14:36:18.831407Z",
"structure_string": "Hg2 H32 Br12 N8\n1.0\n9.042498 0.000000 0.000000\n0.000000 9.040688 0.000000\n0.000000 0.000000 8.874063\nHg H Br N\n2 32 12 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.255193 0.858404 0.308425 H\n0.642241 0.244786 0.808272 H\n0.142241 0.255215 0.308273 H\n0.441928 0.857290 0.674071 H\n0.142595 0.441961 0.326031 H\n0.244807 0.358404 0.808425 H\n0.857406 0.558039 0.326031 H\n0.357405 0.941961 0.826031 H\n0.357759 0.755215 0.808272 H\n0.755194 0.641596 0.808425 H\n0.857759 0.744786 0.691727 H\n0.857759 0.744786 0.308273 H\n0.558073 0.142711 0.325929 H\n0.941928 0.642711 0.174071 H\n0.142595 0.441961 0.673968 H\n0.558073 0.142711 0.674071 H\n0.744807 0.141596 0.691574 H\n0.941928 0.642711 0.825929 H\n0.357759 0.755215 0.191727 H\n0.744807 0.141596 0.308425 H\n0.755194 0.641596 0.191574 H\n0.255193 0.858404 0.691574 H\n0.142241 0.255215 0.691727 H\n0.642595 0.058039 0.826031 H\n0.244807 0.358404 0.191574 H\n0.642241 0.244786 0.191727 H\n0.441928 0.857290 0.325929 H\n0.857406 0.558039 0.673968 H\n0.642595 0.058039 0.173968 H\n0.357405 0.941961 0.173968 H\n0.058073 0.357290 0.825929 H\n0.058073 0.357290 0.174071 H\n0.823631 0.368170 0.500000 Br\n0.368215 0.176350 0.500000 Br\n0.000000 0.000000 0.705191 Br\n0.000000 0.000000 0.294808 Br\n0.676370 0.868170 0.000000 Br\n0.131785 0.676350 0.000000 Br\n0.631786 0.823650 0.500000 Br\n0.500000 0.500000 0.205191 Br\n0.868215 0.323650 0.000000 Br\n0.500000 0.500000 0.794808 Br\n0.176369 0.631830 0.500000 Br\n0.323631 0.131830 0.000000 Br\n0.853868 0.646003 0.750014 N\n0.353868 0.853997 0.749985 N\n0.146132 0.353997 0.750014 N\n0.146132 0.353997 0.249985 N\n0.646132 0.146003 0.749985 N\n0.353868 0.853997 0.250015 N\n0.853868 0.646003 0.249985 N\n0.646132 0.146003 0.250015 N\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Hg",
"H",
"Br",
"N"
],
"chemical_system": "Br-H-Hg-N",
"density": 3.4433521736103287,
"density_atomic": 0.07443571238545424,
"volume": 725.4582279050283,
"volume_molar": 8.090391785081925,
"formula_full": "Hg2 H32 Br12 N8",
"formula_reduced": "HgH16(Br3N2)2",
"formula_anonymous": "AB4C6D16",
"energy_above_hull": 2.809894527037037,
"spacegroup": 128
},
{
"id": "jvasp-86297",
"created_at": "2022-09-04T14:35:59.077028Z",
"updated_at": "2022-09-04T14:35:59.077059Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249415 0.000036 -0.000045\n0.000036 6.165178 -0.229561\n-0.000142 -0.002242 11.542277\nHg C Se N\n2 4 4 4\ndirect\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214667 0.449073 0.628488 C\n0.785333 0.550928 0.371512 C\n0.644723 0.837252 0.842996 C\n0.855291 0.837260 0.342992 C\n0.355277 0.162749 0.157004 Se\n0.144710 0.162741 0.657008 Se\n0.285329 0.449090 0.128488 Se\n0.714671 0.550912 0.871512 Se\n0.749942 0.364706 0.883148 N\n0.250058 0.635295 0.116852 N\n0.750060 0.364724 0.383150 N\n0.249940 0.635278 0.616850 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Hg-N-Se",
"density": 4.508961538784856,
"density_atomic": 0.04629828645780099,
"volume": 302.38700114226543,
"volume_molar": 13.007264891950024,
"formula_full": "Hg2 C4 Se4 N4",
"formula_reduced": "HgC2(SeN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8878439761904753,
"spacegroup": 1
},
{
"id": "jvasp-86900",
"created_at": "2022-09-04T14:35:53.960443Z",
"updated_at": "2022-09-04T14:35:53.960475Z",
"structure_string": "Hg2 C4 Se4 N4\n1.0\n4.249572 -0.000047 0.000034\n-0.000094 6.165831 -0.230376\n0.000083 0.001405 11.541648\nHg C Se N\n2 4 4 4\ndirect\n0.499999 -0.000001 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.214779 0.449010 0.628474 C\n0.785221 0.550988 0.371526 C\n0.644708 0.837264 0.843009 C\n0.855287 0.837292 0.343005 C\n0.355292 0.162735 0.156991 Se\n0.144713 0.162707 0.656995 Se\n0.285218 0.449029 0.128473 Se\n0.714782 0.550970 0.871527 Se\n0.750152 0.364796 0.883174 N\n0.249848 0.635202 0.116825 N\n0.749848 0.364814 0.383180 N\n0.250152 0.635185 0.616819 N\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Hg",
"C",
"Se",
"N"
],
"chemical_system": "C-Hg-N-Se",
"density": 4.50851002681331,
"density_atomic": 0.046293650305902614,
"volume": 302.41728417374225,
"volume_molar": 13.008567525365685,
"formula_full": "Hg2 C4 Se4 N4",
"formula_reduced": "HgC2(SeN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.8878196904761895,
"spacegroup": 1
},
{
"id": "jvasp-29750",
"created_at": "2022-09-04T14:37:13.087629Z",
"updated_at": "2022-09-04T14:37:13.087655Z",
"structure_string": "Hg1 C2 S2 N2\n1.0\n3.973256 -0.000332 -0.000016\n-1.987033 5.445417 -0.434872\n0.000029 0.074281 6.383516\nHg C S N\n1 2 2 2\ndirect\n0.002176 0.998920 -0.000555 Hg\n0.740306 0.474940 0.773638 C\n0.264436 0.522900 0.225238 C\n0.873898 0.742522 0.668476 S\n0.130876 0.255321 0.330403 S\n0.643251 0.280609 0.843183 N\n0.361456 0.717231 0.155694 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Hg-N-S",
"density": 3.8049108659988615,
"density_atomic": 0.050637263193965776,
"volume": 138.2381186990011,
"volume_molar": 11.892705845756753,
"formula_full": "Hg1 C2 S2 N2",
"formula_reduced": "HgC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.036558728571428,
"spacegroup": 12
},
{
"id": "jvasp-52006",
"created_at": "2022-09-04T14:37:39.043175Z",
"updated_at": "2022-09-04T14:37:39.043185Z",
"structure_string": "Hg1 C2 S2 N2\n1.0\n3.972399 -0.003105 0.002189\n-1.987214 5.464954 0.021550\n-0.000770 -0.455082 6.366037\nHg C S N\n1 2 2 2\ndirect\n0.995188 -0.000440 0.000303 Hg\n0.733281 0.475819 0.774503 C\n0.256915 0.523290 0.226086 C\n0.866238 0.743449 0.669298 S\n0.123926 0.255663 0.331298 S\n0.636600 0.281462 0.844078 N\n0.353618 0.717641 0.156493 N\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Hg-N-S",
"density": 3.8059101748760757,
"density_atomic": 0.05065056239292462,
"volume": 138.20182184152472,
"volume_molar": 11.88958320597292,
"formula_full": "Hg1 C2 S2 N2",
"formula_reduced": "HgC2(SN)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 4.036555871428572,
"spacegroup": 12
},
{
"id": "jvasp-97465",
"created_at": "2022-09-04T14:35:51.571330Z",
"updated_at": "2022-09-04T14:35:51.571352Z",
"structure_string": "Hg8 C4 N8 Cl8\n1.0\n7.820753 -0.026848 0.000000\n-2.299422 7.976796 0.000000\n0.000000 0.000000 9.036940\nHg C N Cl\n8 4 8 8\ndirect\n0.500000 0.500000 0.500000 Hg\n0.769011 0.891842 0.180223 Hg\n0.230989 0.108158 0.819777 Hg\n0.000000 0.500000 0.000000 Hg\n0.269011 0.891842 0.319777 Hg\n0.730989 0.108158 0.680223 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.931383 0.137462 0.408862 C\n0.068617 0.862538 0.591138 C\n0.431383 0.137462 0.091138 C\n0.568617 0.862538 0.908862 C\n0.401960 0.233414 0.993443 N\n0.098040 0.766586 0.493443 N\n0.465063 0.038526 0.176844 N\n0.534937 0.961475 0.823156 N\n0.965063 0.038526 0.323156 N\n0.034937 0.961475 0.676844 N\n0.901959 0.233414 0.506557 N\n0.598040 0.766586 0.006557 N\n0.920217 0.196744 0.981141 Cl\n0.748152 0.511763 0.247826 Cl\n0.079783 0.803256 0.018859 Cl\n0.579783 0.803256 0.481141 Cl\n0.248152 0.511763 0.252174 Cl\n0.420217 0.196744 0.518859 Cl\n0.251848 0.488238 0.752174 Cl\n0.751848 0.488238 0.747826 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-Hg-N",
"density": 6.039541367937392,
"density_atomic": 0.04971524244355202,
"volume": 563.2075521263308,
"volume_molar": 12.113268414285006,
"formula_full": "Hg8 C4 N8 Cl8",
"formula_reduced": "Hg2C(NCl)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 2.1549691192857137,
"spacegroup": 14
},
{
"id": "jvasp-98566",
"created_at": "2022-09-04T14:37:41.385096Z",
"updated_at": "2022-09-04T14:37:41.385129Z",
"structure_string": "Hg24 Bi4 Sb16 Br28\n1.0\n13.267156 0.000000 0.000000\n-0.000000 13.267156 -0.000000\n-0.000000 -0.000000 13.267156\nHg Bi Sb Br\n24 4 16 28\ndirect\n0.182630 0.299895 0.445272 Hg\n0.200105 0.945272 0.182630 Hg\n0.700105 0.945272 0.317370 Hg\n0.317370 0.799895 0.445272 Hg\n0.554728 0.682630 0.200105 Hg\n0.445272 0.317370 0.799895 Hg\n0.054728 0.817370 0.799895 Hg\n0.299895 0.054728 0.682630 Hg\n0.182630 0.200105 0.945272 Hg\n0.799895 0.445272 0.317370 Hg\n0.682630 0.299895 0.054728 Hg\n0.817370 0.799895 0.054728 Hg\n0.700105 0.554728 0.817370 Hg\n0.682630 0.200105 0.554728 Hg\n0.054728 0.682630 0.299895 Hg\n0.817370 0.700105 0.554728 Hg\n0.299895 0.445272 0.182630 Hg\n0.945272 0.182630 0.200105 Hg\n0.554728 0.817370 0.700105 Hg\n0.445272 0.182630 0.299895 Hg\n0.799895 0.054728 0.817370 Hg\n0.200105 0.554728 0.682630 Hg\n0.317370 0.700105 0.945272 Hg\n0.945272 0.317370 0.700105 Hg\n0.500000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.500000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.740161 0.759839 0.240161 Sb\n0.259839 0.259839 0.259839 Sb\n0.759839 0.259839 0.240161 Sb\n0.133969 0.133969 0.133969 Sb\n0.866032 0.866032 0.866032 Sb\n0.759839 0.240161 0.740161 Sb\n0.240161 0.740161 0.759839 Sb\n0.366032 0.633969 0.133969 Sb\n0.633969 0.133969 0.366032 Sb\n0.366032 0.866032 0.633969 Sb\n0.633969 0.366032 0.866032 Sb\n0.133969 0.366032 0.633969 Sb\n0.740161 0.740161 0.740161 Sb\n0.240161 0.759839 0.259839 Sb\n0.866032 0.633969 0.366032 Sb\n0.259839 0.240161 0.759839 Sb\n0.044555 0.055739 0.707534 Br\n0.292467 0.544555 0.444261 Br\n0.207534 0.044555 0.444261 Br\n0.207534 0.455445 0.944262 Br\n0.944262 0.292467 0.955445 Br\n0.955445 0.555739 0.792467 Br\n0.044555 0.444261 0.207534 Br\n0.555739 0.707534 0.455445 Br\n0.055739 0.792467 0.544555 Br\n0.792467 0.955445 0.555739 Br\n0.555739 0.792467 0.955445 Br\n0.792467 0.544555 0.055739 Br\n0.000000 0.500000 0.500000 Br\n0.055739 0.707534 0.044555 Br\n0.500000 0.000000 0.500000 Br\n0.944262 0.207534 0.455445 Br\n0.955445 0.944262 0.292467 Br\n0.292467 0.955445 0.944262 Br\n0.707534 0.044555 0.055739 Br\n0.455445 0.944262 0.207534 Br\n0.000000 0.000000 0.000000 Br\n0.544555 0.444261 0.292467 Br\n0.444261 0.207534 0.044555 Br\n0.544555 0.055739 0.792467 Br\n0.455445 0.555739 0.707534 Br\n0.707534 0.455445 0.555739 Br\n0.444261 0.292467 0.544555 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Hg",
"Bi",
"Sb",
"Br"
],
"chemical_system": "Bi-Br-Hg-Sb",
"density": 6.993819178326699,
"density_atomic": 0.030831807739451156,
"volume": 2335.2506803508527,
"volume_molar": 19.532233759664724,
"formula_full": "Hg24 Bi4 Sb16 Br28",
"formula_reduced": "Hg6BiSb4Br7",
"formula_anonymous": "AB4C6D7",
"energy_above_hull": 0.0,
"spacegroup": 205
},
{
"id": "jvasp-29547",
"created_at": "2022-09-04T14:37:02.551838Z",
"updated_at": "2022-09-04T14:37:02.551863Z",
"structure_string": "Hg1 B2 C8 N8\n1.0\n7.830922 0.000000 0.000000\n-3.915461 6.781778 -0.000000\n-0.000000 0.000000 5.907559\nHg B C N\n1 2 8 8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.391018 B\n0.333333 0.666667 0.608982 B\n0.223226 0.776775 0.699977 C\n0.666667 0.333333 0.659115 C\n0.776774 0.223226 0.300023 C\n0.446451 0.223226 0.300023 C\n0.333333 0.666667 0.340885 C\n0.553549 0.776775 0.699977 C\n0.776774 0.553549 0.300023 C\n0.223226 0.446452 0.699977 C\n0.666667 0.333333 0.855709 N\n0.142339 0.284678 0.762653 N\n0.142339 0.857661 0.762653 N\n0.284678 0.142339 0.237347 N\n0.857661 0.715322 0.237347 N\n0.715322 0.857661 0.762653 N\n0.333333 0.666667 0.144291 N\n0.857661 0.142339 0.237347 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hg",
"B",
"C",
"N"
],
"chemical_system": "B-C-Hg-N",
"density": 2.2777580003285642,
"density_atomic": 0.06056044614230555,
"volume": 313.7361299379071,
"volume_molar": 9.944016505177508,
"formula_full": "Hg1 B2 C8 N8",
"formula_reduced": "HgB2(CN)8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 6.440733987719298,
"spacegroup": 164
},
{
"id": "jvasp-29609",
"created_at": "2022-09-04T14:38:03.178355Z",
"updated_at": "2022-09-04T14:38:03.178374Z",
"structure_string": "Hg6 As2 Se8 I2\n1.0\n7.865318 -0.000000 0.000000\n-3.932659 6.811565 0.000000\n0.000000 -0.000000 9.991272\nHg As Se I\n6 2 8 2\ndirect\n0.496737 0.993475 0.242917 Hg\n0.503264 0.006526 0.742917 Hg\n0.006526 0.503264 0.242917 Hg\n0.993474 0.496737 0.742917 Hg\n0.496737 0.503264 0.242917 Hg\n0.503264 0.496737 0.742917 Hg\n0.000000 0.000000 0.231451 As\n0.000000 0.000000 0.731451 As\n0.698866 0.849434 0.866563 Se\n0.666667 0.333333 0.603023 Se\n0.150567 0.849434 0.866563 Se\n0.333333 0.666667 0.103023 Se\n0.301134 0.150567 0.366563 Se\n0.849434 0.150567 0.366563 Se\n0.849434 0.698866 0.366563 Se\n0.150567 0.301134 0.866563 Se\n0.333333 0.666667 0.521705 I\n0.666667 0.333333 0.021705 I\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Hg",
"As",
"Se",
"I"
],
"chemical_system": "As-Hg-I-Se",
"density": 6.945354473130187,
"density_atomic": 0.03362703155684967,
"volume": 535.2836443374224,
"volume_molar": 17.908630292920748,
"formula_full": "Hg6 As2 Se8 I2",
"formula_reduced": "Hg3AsSe4I",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.3195939212962961,
"spacegroup": 186
}
]
}