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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1550",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1548",
"results": [
{
"id": "jvasp-91359",
"created_at": "2022-09-04T14:35:59.198502Z",
"updated_at": "2022-09-04T14:35:59.198519Z",
"structure_string": "Hg8 C8 N16\n1.0\n6.635792 0.000000 0.000000\n-0.000000 6.997311 0.000000\n0.000000 0.000000 10.676588\nHg C N\n8 8 16\ndirect\n0.654173 0.293637 0.871281 Hg\n0.345827 0.793637 0.628720 Hg\n0.845827 0.706363 0.371281 Hg\n0.345827 0.706363 0.128719 Hg\n0.845827 0.793637 0.871281 Hg\n0.654173 0.206363 0.371281 Hg\n0.154173 0.293637 0.628720 Hg\n0.154173 0.206363 0.128719 Hg\n0.665209 0.399975 0.614399 C\n0.334791 0.600025 0.385601 C\n0.834791 0.899975 0.614399 C\n0.665209 0.100025 0.114399 C\n0.165209 0.399975 0.885602 C\n0.165209 0.100025 0.385601 C\n0.834791 0.600025 0.114399 C\n0.334791 0.899975 0.885602 C\n0.425520 0.944161 0.789030 N\n0.238650 0.625871 0.482946 N\n0.738650 0.874129 0.517054 N\n0.761350 0.125871 0.017054 N\n0.261350 0.374129 0.982946 N\n0.761350 0.374129 0.517054 N\n0.261350 0.125871 0.482946 N\n0.238650 0.874129 0.982946 N\n0.738650 0.625871 0.017054 N\n0.574480 0.055839 0.210971 N\n0.074480 0.444161 0.789030 N\n0.574480 0.444161 0.710971 N\n0.425520 0.555839 0.289030 N\n0.074480 0.055839 0.289030 N\n0.925520 0.555839 0.210971 N\n0.925520 0.944161 0.710971 N\n",
"nsites": 32,
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"elements": [
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-N",
"density": 6.447683820236264,
"density_atomic": 0.0645495996366892,
"volume": 495.7428114211199,
"volume_molar": 9.329478097300374,
"formula_full": "Hg8 C8 N16",
"formula_reduced": "HgCN2",
"formula_anonymous": "ABC2",
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"spacegroup": 61
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{
"id": "jvasp-29643",
"created_at": "2022-09-04T14:37:17.536181Z",
"updated_at": "2022-09-04T14:37:17.536206Z",
"structure_string": "Hg4 C4 N8\n1.0\n5.596945 0.037465 0.000000\n-2.686015 6.370689 0.000000\n0.000000 0.000000 7.065834\nHg C N\n4 4 8\ndirect\n0.007296 0.255700 0.886144 Hg\n0.992706 0.744300 0.113855 Hg\n0.992706 0.244300 0.386145 Hg\n0.007296 0.755700 0.613855 Hg\n0.431429 0.776077 0.361224 C\n0.431429 0.276077 0.138776 C\n0.568573 0.223924 0.638776 C\n0.568573 0.723924 0.861223 C\n0.816598 0.284677 0.638373 N\n0.339812 0.674220 0.863144 N\n0.660190 0.825780 0.363145 N\n0.183404 0.715324 0.361627 N\n0.660190 0.325780 0.136855 N\n0.816599 0.784677 0.861627 N\n0.183404 0.215324 0.138373 N\n0.339812 0.174220 0.636855 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-N",
"density": 6.325652402640799,
"density_atomic": 0.06332790834901121,
"volume": 252.65322062780274,
"volume_molar": 9.509457863049773,
"formula_full": "Hg4 C4 N8",
"formula_reduced": "HgCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.792100275,
"spacegroup": 14
},
{
"id": "jvasp-9589",
"created_at": "2022-09-04T14:38:11.241498Z",
"updated_at": "2022-09-04T14:38:11.241524Z",
"structure_string": "Hg2 C4 O8\n1.0\n0.000000 5.110022 -0.066384\n5.277735 0.000000 0.000000\n0.000000 -2.088297 -6.110578\nHg C O\n2 4 8\ndirect\n0.500000 0.242713 0.250000 Hg\n0.499999 0.742714 0.750000 Hg\n0.948749 0.871328 0.282077 C\n0.051250 0.371328 0.717923 C\n0.948747 0.114103 0.782082 C\n0.051252 0.614103 0.217917 C\n0.892163 0.513510 0.583654 O\n0.107836 0.013509 0.416346 O\n0.107834 0.971922 0.916349 O\n0.892165 0.471921 0.083651 O\n0.690703 0.073952 0.680825 O\n0.309296 0.573952 0.319174 O\n0.309298 0.411476 0.819175 O\n0.690701 0.911476 0.180824 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"C",
"O"
],
"chemical_system": "C-Hg-O",
"density": 5.7904519837585156,
"density_atomic": 0.08457685604255571,
"volume": 165.52991746294938,
"volume_molar": 7.1203175925218805,
"formula_full": "Hg2 C4 O8",
"formula_reduced": "Hg(CO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.1358898,
"spacegroup": 14
},
{
"id": "jvasp-86554",
"created_at": "2022-09-04T14:36:05.409346Z",
"updated_at": "2022-09-04T14:36:05.409376Z",
"structure_string": "Hg2 C2 S2 O6 F6\n1.0\n5.064907 -0.026199 -0.647031\n-0.398761 5.217588 -0.397606\n-0.082654 0.334347 9.885966\nHg C S O F\n2 2 2 6 6\ndirect\n0.168093 0.133114 0.587221 Hg\n0.831909 0.866887 0.412779 Hg\n0.335437 0.238775 0.126898 C\n0.664565 0.761226 0.873102 C\n0.355334 0.434288 0.290232 S\n0.644668 0.565712 0.709768 S\n0.083196 0.476414 0.304748 O\n0.916805 0.523587 0.695252 O\n0.507758 0.719841 0.607670 O\n0.515613 0.669031 0.262307 O\n0.484389 0.330969 0.737693 O\n0.492243 0.280160 0.392331 O\n0.169277 0.028676 0.132815 F\n0.579289 0.167214 0.112272 F\n0.243435 0.370958 0.019435 F\n0.830725 -0.028676 0.867186 F\n0.756567 0.629043 0.980565 F\n0.420713 0.832787 0.887728 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Hg",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-Hg-O-S",
"density": 4.438521151104537,
"density_atomic": 0.06879974973397138,
"volume": 261.6288586746429,
"volume_molar": 8.753143410093593,
"formula_full": "Hg2 C2 S2 O6 F6",
"formula_reduced": "HgCS(OF)3",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 1.5789406608333336,
"spacegroup": 2
},
{
"id": "jvasp-85955",
"created_at": "2022-09-04T14:36:07.218237Z",
"updated_at": "2022-09-04T14:36:07.218254Z",
"structure_string": "Hg2 C2 S2 O6 F6\n1.0\n5.063436 -0.023830 -0.648383\n-0.398868 5.220199 -0.398288\n-0.083572 0.333487 9.881507\nHg C S O F\n2 2 2 6 6\ndirect\n0.168195 0.133207 0.587181 Hg\n0.831805 0.866794 0.412820 Hg\n0.335397 0.238912 0.126831 C\n0.664604 0.761088 0.873169 C\n0.355123 0.434359 0.290239 S\n0.644877 0.565642 0.709761 S\n0.082863 0.476359 0.304729 O\n0.917137 0.523642 0.695271 O\n0.507774 0.719654 0.607604 O\n0.515222 0.669029 0.262339 O\n0.484779 0.330971 0.737661 O\n0.492227 0.280347 0.392397 O\n0.169301 0.028930 0.132711 F\n0.579382 0.167386 0.112291 F\n0.243357 0.370949 0.019268 F\n0.830700 -0.028929 0.867289 F\n0.756643 0.629052 0.980733 F\n0.420618 0.832615 0.887710 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Hg",
"C",
"S",
"O",
"F"
],
"chemical_system": "C-F-Hg-O-S",
"density": 4.439509380027439,
"density_atomic": 0.0688150678771684,
"volume": 261.57062043634306,
"volume_molar": 8.751194971934392,
"formula_full": "Hg2 C2 S2 O6 F6",
"formula_reduced": "HgCS(OF)3",
"formula_anonymous": "ABCD3E3",
"energy_above_hull": 1.5789406608333336,
"spacegroup": 2
},
{
"id": "jvasp-1261",
"created_at": "2022-09-04T14:37:00.595311Z",
"updated_at": "2022-09-04T14:37:00.595349Z",
"structure_string": "Hg2 F2\n1.0\n3.537319 0.000000 -1.128650\n-0.360118 3.518940 -1.128650\n0.003019 0.003343 6.116970\nHg F\n2 2\ndirect\n0.884000 0.884000 0.768001 Hg\n0.116000 0.115999 0.231999 Hg\n0.686501 0.686501 0.373004 F\n0.313499 0.313498 0.626996 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"F"
],
"chemical_system": "F-Hg",
"density": 9.574449543525985,
"density_atomic": 0.052515234894295944,
"volume": 76.16837300740073,
"volume_molar": 11.467416592768794,
"formula_full": "Hg2 F2",
"formula_reduced": "HgF",
"formula_anonymous": "AB",
"energy_above_hull": 0.01374,
"spacegroup": 139
},
{
"id": "jvasp-1591",
"created_at": "2022-09-04T14:37:03.734786Z",
"updated_at": "2022-09-04T14:37:03.734804Z",
"structure_string": "Hg1 F2\n1.0\n3.434297 -0.000000 1.982792\n1.144766 3.237886 1.982792\n0.000000 0.000000 3.965584\nHg F\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750001 0.750001 0.749997 F\n0.250000 0.250000 0.249999 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
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],
"chemical_system": "F-Hg",
"density": 8.984397603286757,
"density_atomic": 0.06803222841097192,
"volume": 44.0967475279139,
"volume_molar": 8.851894022375985,
"formula_full": "Hg1 F2",
"formula_reduced": "HgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38158",
"created_at": "2022-09-04T14:38:32.330450Z",
"updated_at": "2022-09-04T14:38:32.330481Z",
"structure_string": "Hg2 F4\n1.0\n4.976550 0.000000 0.000000\n-0.000000 4.976550 0.000000\n0.000000 0.000000 4.186861\nHg F\n2 4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.297859 0.297859 0.000000 F\n0.702141 0.702141 0.000000 F\n0.202141 0.797859 0.500000 F\n0.797859 0.202141 0.500000 F\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "F-Hg",
"density": 7.641528381662821,
"density_atomic": 0.057863668464541884,
"volume": 103.69200846083105,
"volume_molar": 10.40746451063726,
"formula_full": "Hg2 F4",
"formula_reduced": "HgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0175599999999999,
"spacegroup": 136
},
{
"id": "jvasp-110428",
"created_at": "2022-09-04T14:38:40.337326Z",
"updated_at": "2022-09-04T14:38:40.337348Z",
"structure_string": "Hg1 F3\n1.0\n3.503593 -0.000000 2.022801\n1.167865 3.303219 2.022801\n-0.000000 -0.000000 4.045600\nHg F\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.249999 0.250000 0.250000 F\n0.749998 0.750000 0.750000 F\n0.499999 0.500000 0.500000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "F-Hg",
"density": 9.13557866079669,
"density_atomic": 0.08543307393124831,
"volume": 46.82027481791154,
"volume_molar": 7.0489571343836674,
"formula_full": "Hg1 F3",
"formula_reduced": "HgF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0415725706249999,
"spacegroup": 225
},
{
"id": "jvasp-36641",
"created_at": "2022-09-04T14:37:19.265159Z",
"updated_at": "2022-09-04T14:37:19.265176Z",
"structure_string": "Hg1 Ge1 O3\n1.0\n3.814894 -0.000000 0.000000\n0.000000 3.814894 0.000000\n-0.000000 0.000000 3.814894\nHg Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Ge\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
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"elements": [
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"Ge",
"O"
],
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"density": 9.607609345706393,
"density_atomic": 0.0900580582074208,
"volume": 55.51974026004482,
"volume_molar": 6.686953816092577,
"formula_full": "Hg1 Ge1 O3",
"formula_reduced": "HgGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1812502099999995,
"spacegroup": 221
},
{
"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
}
]
}