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=546",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=544",
"results": [
{
"id": "jvasp-52504",
"created_at": "2022-09-04T14:37:45.891976Z",
"updated_at": "2022-09-04T14:37:45.891991Z",
"structure_string": "Y2 Ta6 O18\n1.0\n0.000000 5.284980 -0.008941\n7.492368 0.000000 0.000000\n0.000000 -0.364092 -8.263391\nY Ta O\n2 6 18\ndirect\n0.966495 0.250000 0.564947 Y\n0.033505 0.750000 0.435053 Y\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.528205 0.492260 0.302217 Ta\n0.528205 0.007740 0.302217 Ta\n0.471795 0.992260 0.697783 Ta\n0.471795 0.507740 0.697783 Ta\n0.145682 0.065374 0.783648 O\n0.258362 0.456097 0.466469 O\n0.258362 0.043903 0.466469 O\n0.332051 0.750000 0.654084 O\n0.326987 0.442333 0.118445 O\n0.326987 0.057667 0.118445 O\n0.421958 0.750000 0.311674 O\n0.578043 0.250000 0.688325 O\n0.741638 0.543903 0.533531 O\n0.673013 0.942334 0.881554 O\n0.667950 0.250000 0.345916 O\n0.145682 0.434626 0.783648 O\n0.741638 0.956097 0.533531 O\n0.854319 0.565374 0.216352 O\n0.854319 0.934626 0.216352 O\n0.897610 0.250000 0.021843 O\n0.673013 0.557667 0.881554 O\n0.102391 0.750000 0.978157 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Y",
"Ta",
"O"
],
"chemical_system": "O-Ta-Y",
"density": 7.873076038396717,
"density_atomic": 0.07945481579360913,
"volume": 327.2300079020671,
"volume_molar": 7.579327571085232,
"formula_full": "Y2 Ta6 O18",
"formula_reduced": "YTa3O9",
"formula_anonymous": "AB3C9",
"energy_above_hull": 3.9784741961538463,
"spacegroup": 11
},
{
"id": "jvasp-59143",
"created_at": "2022-09-04T14:38:11.928139Z",
"updated_at": "2022-09-04T14:38:11.928169Z",
"structure_string": "Hg8 O2 F12\n1.0\n3.930702 -6.808176 -0.000000\n3.930702 6.808176 0.000000\n-0.000000 0.000000 6.113729\nHg O F\n8 2 12\ndirect\n0.666667 0.333333 0.475669 Hg\n0.333333 0.666667 0.975669 Hg\n0.364050 0.182024 0.001069 Hg\n0.182024 0.364050 0.501069 Hg\n0.182024 0.817975 0.501069 Hg\n0.817975 0.182024 0.001069 Hg\n0.817975 0.635950 0.001069 Hg\n0.635950 0.817975 0.501069 Hg\n0.666667 0.333333 0.126222 O\n0.333333 0.666667 0.626222 O\n0.923406 0.461702 0.725340 F\n0.076593 0.538297 0.225340 F\n0.461702 0.538297 0.225340 F\n0.538297 0.076593 0.725340 F\n0.746369 0.873184 0.896594 F\n0.253631 0.126816 0.396594 F\n0.873184 0.126815 0.396594 F\n0.126815 0.873184 0.896594 F\n0.126816 0.253631 0.896594 F\n0.538297 0.461702 0.725340 F\n0.873184 0.746369 0.396594 F\n0.461702 0.923406 0.225340 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O",
"density": 9.462827217120678,
"density_atomic": 0.06723348250704356,
"volume": 327.2179155333092,
"volume_molar": 8.957056120615357,
"formula_full": "Hg8 O2 F12",
"formula_reduced": "Hg4OF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-100473",
"created_at": "2022-09-04T14:36:39.065615Z",
"updated_at": "2022-09-04T14:36:39.065640Z",
"structure_string": "K2 Cu1 Bi1 Br6\n1.0\n6.698416 0.000000 3.867332\n2.232805 6.315327 3.867332\n0.000000 0.000000 7.734665\nK Cu Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Bi\n0.738815 0.261186 0.261185 Br\n0.261186 0.261186 0.738813 Br\n0.261186 0.738815 0.738813 Br\n0.261186 0.738815 0.261185 Br\n0.738815 0.261186 0.738813 Br\n0.738815 0.738815 0.261185 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Cu-K",
"density": 4.213030793721685,
"density_atomic": 0.03056261659052475,
"volume": 327.19711580913116,
"volume_molar": 19.70427087668609,
"formula_full": "K2 Cu1 Bi1 Br6",
"formula_reduced": "K2CuBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42082",
"created_at": "2022-09-04T14:37:39.515515Z",
"updated_at": "2022-09-04T14:37:39.515537Z",
"structure_string": "K2 P2 Au2 Se6\n1.0\n-6.069460 -3.638826 0.027270\n-6.069460 3.638826 0.027270\n3.434581 0.000000 -7.422577\nK P Au Se\n2 2 2 6\ndirect\n0.301709 0.301709 0.253322 K\n0.698291 0.698291 0.746678 K\n0.977405 0.977405 0.350039 P\n0.022595 0.022595 0.649961 P\n0.738850 0.261152 -0.000000 Au\n0.261152 0.738850 -0.000000 Au\n0.781941 0.781941 0.194774 Se\n0.824545 0.332477 0.328600 Se\n0.332477 0.824545 0.328600 Se\n0.667523 0.175455 0.671401 Se\n0.175455 0.667523 0.671401 Se\n0.218060 0.218060 0.805226 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"P",
"Au",
"Se"
],
"chemical_system": "Au-K-P-Se",
"density": 5.115019526931388,
"density_atomic": 0.03667659701033092,
"volume": 327.18411679851016,
"volume_molar": 16.419573381640905,
"formula_full": "K2 P2 Au2 Se6",
"formula_reduced": "KPAuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.150550195,
"spacegroup": 12
},
{
"id": "jvasp-24321",
"created_at": "2022-09-04T14:37:36.167222Z",
"updated_at": "2022-09-04T14:37:36.167240Z",
"structure_string": "Na2 P2 Pd2 S8\n1.0\n6.452113 -0.000000 -3.309230\n-1.697273 6.224871 -3.309230\n0.060092 0.078670 8.061726\nNa P Pd S\n2 2 2 8\ndirect\n0.750000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.500000 0.000000 -0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.706028 0.206028 0.717619 S\n0.988410 0.488410 0.282381 S\n0.206028 0.011590 0.717620 S\n0.511590 0.706028 0.717619 S\n0.293972 0.793972 0.282381 S\n0.793972 0.988410 0.282381 S\n0.488410 0.293972 0.282381 S\n0.011590 0.511590 0.717620 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"P",
"Pd",
"S"
],
"chemical_system": "Na-P-Pd-S",
"density": 2.9302033978003124,
"density_atomic": 0.04279419695075354,
"volume": 327.14716007197984,
"volume_molar": 14.072330337055101,
"formula_full": "Na2 P2 Pd2 S8",
"formula_reduced": "NaPPdS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.7916514571428572,
"spacegroup": 140
},
{
"id": "jvasp-105003",
"created_at": "2022-09-04T14:38:45.385016Z",
"updated_at": "2022-09-04T14:38:45.385041Z",
"structure_string": "K3 Tm1 Cl6\n1.0\n6.698045 -0.000000 3.867118\n2.232682 6.314978 3.867118\n-0.000000 -0.000000 7.734237\nK Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tm\n0.764383 0.235618 0.235617 Cl\n0.235617 0.235618 0.764383 Cl\n0.235617 0.764383 0.764383 Cl\n0.235617 0.764383 0.235618 Cl\n0.764383 0.235618 0.764383 Cl\n0.764383 0.764383 0.235618 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Tm",
"Cl"
],
"chemical_system": "Cl-K-Tm",
"density": 2.5325978276821335,
"density_atomic": 0.030567690054448215,
"volume": 327.1428093581052,
"volume_molar": 19.70100046576355,
"formula_full": "K3 Tm1 Cl6",
"formula_reduced": "K3TmCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-19084",
"created_at": "2022-09-04T14:36:56.194988Z",
"updated_at": "2022-09-04T14:36:56.195008Z",
"structure_string": "Sr6 U2 O12\n1.0\n0.000000 6.030706 0.006709\n6.269916 0.000000 0.000000\n0.000000 -0.060094 -8.649987\nSr U O\n6 2 12\ndirect\n0.749999 0.981823 0.249999 Sr\n0.250002 0.481822 0.750001 Sr\n0.765134 0.430466 0.494014 Sr\n0.234867 0.930466 0.505986 Sr\n0.265143 0.033180 0.994009 Sr\n0.734858 0.533181 0.005991 Sr\n0.750009 0.981820 0.750000 U\n0.249993 0.481820 0.250000 U\n0.630616 0.042956 0.524382 O\n0.369386 0.542957 0.475618 O\n0.923064 0.707262 0.674251 O\n0.076937 0.207261 0.325749 O\n0.869397 0.920682 0.975619 O\n0.423050 0.756383 0.174257 O\n0.967132 0.658416 0.301566 O\n0.032869 0.158416 0.698434 O\n0.467155 0.805216 0.801573 O\n0.576951 0.256383 0.825744 O\n0.130605 0.420682 0.024381 O\n0.532846 0.305216 0.198427 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"U",
"O"
],
"chemical_system": "O-Sr-U",
"density": 6.0607728296604,
"density_atomic": 0.06114881116308868,
"volume": 327.0709539496758,
"volume_molar": 9.848336615962127,
"formula_full": "Sr6 U2 O12",
"formula_reduced": "Sr3UO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.907695593,
"spacegroup": 14
},
{
"id": "jvasp-62061",
"created_at": "2022-09-04T14:36:03.679907Z",
"updated_at": "2022-09-04T14:36:03.679933Z",
"structure_string": "Ba3 Ge2 B6 O16\n1.0\n-5.142251 0.018122 -0.006274\n-0.218176 -7.680988 -0.021306\n1.910599 1.832360 8.287197\nBa Ge B O\n3 2 6 16\ndirect\n0.500000 0.500000 0.000000 Ba\n0.383006 0.919971 0.740943 Ba\n0.616994 0.080030 0.259057 Ba\n0.772316 0.669429 0.442539 Ge\n0.227685 0.330571 0.557461 Ge\n0.039597 0.193878 0.971793 B\n0.960403 0.806122 0.028207 B\n0.969570 0.591754 0.755137 B\n0.807112 0.254455 0.704607 B\n0.192888 0.745545 0.295393 B\n0.030430 0.408246 0.244863 B\n0.133120 0.562122 0.203337 O\n0.913942 0.274544 0.095808 O\n0.086059 0.725457 0.904192 O\n0.304987 0.176623 0.995018 O\n0.695014 0.823378 0.004982 O\n0.866881 0.437879 0.796664 O\n0.765752 0.675383 0.645767 O\n0.789881 0.453566 0.319666 O\n0.514732 0.215806 0.630002 O\n0.485269 0.784195 0.369999 O\n0.210119 0.546434 0.680335 O\n0.128423 0.868701 0.182200 O\n0.953473 0.202644 0.571335 O\n0.046527 0.797356 0.428665 O\n0.234248 0.324617 0.354234 O\n0.871577 0.131299 0.817801 O\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Ba",
"Ge",
"B",
"O"
],
"chemical_system": "B-Ba-Ge-O",
"density": 4.4582713327825845,
"density_atomic": 0.08255218642545165,
"volume": 327.0658376126987,
"volume_molar": 7.294950044040646,
"formula_full": "Ba3 Ge2 B6 O16",
"formula_reduced": "Ba3Ge2(B3O8)2",
"formula_anonymous": "A2B3C6D16",
"energy_above_hull": 3.049022270740741,
"spacegroup": 2
},
{
"id": "jvasp-25645",
"created_at": "2022-09-04T14:38:17.682051Z",
"updated_at": "2022-09-04T14:38:17.682078Z",
"structure_string": "Sr8 Rh2 O12\n1.0\n6.889432 0.017230 -0.017171\n-0.017257 6.889431 -0.017171\n0.017144 0.017230 6.889431\nSr Rh O\n8 2 12\ndirect\n0.617832 0.882167 0.250000 Sr\n0.382167 0.117833 0.750000 Sr\n0.882166 0.250000 0.617833 Sr\n0.249999 0.617833 0.882167 Sr\n0.749999 0.750000 0.750000 Sr\n0.750000 0.382167 0.117833 Sr\n0.250000 0.250000 0.250000 Sr\n0.117832 0.750000 0.382167 Sr\n0.000000 0.000000 0.000000 Rh\n0.499999 0.500000 0.500000 Rh\n0.058548 0.926769 0.715197 O\n0.941451 0.073230 0.284803 O\n0.926769 0.715197 0.058549 O\n0.441451 0.784803 0.573231 O\n0.715196 0.058549 0.926770 O\n0.573230 0.441452 0.784803 O\n0.426769 0.558548 0.215197 O\n0.284803 0.941451 0.073231 O\n0.784802 0.573230 0.441452 O\n0.215196 0.426770 0.558549 O\n0.558548 0.215197 0.426770 O\n0.073230 0.284803 0.941451 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 5.579498834849255,
"density_atomic": 0.06727666146602719,
"volume": 327.0079031955142,
"volume_molar": 8.951307375799274,
"formula_full": "Sr8 Rh2 O12",
"formula_reduced": "Sr4RhO6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 1.429984476363636,
"spacegroup": 167
},
{
"id": "jvasp-99127",
"created_at": "2022-09-04T14:36:12.932251Z",
"updated_at": "2022-09-04T14:36:12.932285Z",
"structure_string": "K4 Li8 B4 O12\n1.0\n6.377296 -0.000000 0.000000\n-0.000000 6.474720 0.000000\n0.000000 0.000000 7.919134\nK Li B O\n4 8 4 12\ndirect\n0.750000 0.393553 0.997019 K\n0.750000 0.106447 0.497020 K\n0.250000 0.893553 0.502980 K\n0.250000 0.606447 0.002980 K\n0.540401 0.964938 0.859997 Li\n0.459599 0.035062 0.140003 Li\n0.040401 0.464938 0.640003 Li\n0.959600 0.964938 0.859997 Li\n0.959600 0.535062 0.359997 Li\n0.459599 0.464938 0.640003 Li\n0.040401 0.035062 0.140003 Li\n0.540401 0.535062 0.359997 Li\n0.750000 0.670077 0.656845 B\n0.250000 0.329923 0.343155 B\n0.750000 0.829923 0.156845 B\n0.250000 0.170077 0.843155 B\n0.441794 0.240575 0.785462 O\n0.441794 0.259425 0.285462 O\n0.941794 0.740575 0.714537 O\n0.750000 0.509092 0.537505 O\n0.250000 0.490908 0.462495 O\n0.058207 0.240575 0.785462 O\n0.941794 0.759425 0.214538 O\n0.558207 0.759425 0.214538 O\n0.750000 0.990908 0.037505 O\n0.058207 0.259425 0.285462 O\n0.250000 0.009092 0.962494 O\n0.558207 0.740575 0.714537 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Li",
"B",
"O"
],
"chemical_system": "B-K-Li-O",
"density": 2.270778865958796,
"density_atomic": 0.08562937466626087,
"volume": 326.9905929960315,
"volume_molar": 7.032797779349899,
"formula_full": "K4 Li8 B4 O12",
"formula_reduced": "KLi2BO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.6468872976190476,
"spacegroup": 62
},
{
"id": "jvasp-32942",
"created_at": "2022-09-04T14:37:06.726202Z",
"updated_at": "2022-09-04T14:37:06.726226Z",
"structure_string": "Bi4 Se4 Cl4\n1.0\n4.233089 0.000000 0.000000\n0.000000 8.347894 0.000000\n0.000000 0.000000 9.252916\nBi Se Cl\n4 4 4\ndirect\n0.250000 0.187453 0.094334 Bi\n0.750000 0.312546 0.594335 Bi\n0.750000 0.812546 0.905666 Bi\n0.250000 0.687453 0.405666 Bi\n0.250000 0.530656 0.671818 Se\n0.250000 0.030656 0.828183 Se\n0.750000 0.469344 0.328183 Se\n0.750000 0.969343 0.171818 Se\n0.750000 0.350852 0.933977 Cl\n0.750000 0.850852 0.566023 Cl\n0.250000 0.649147 0.066023 Cl\n0.250000 0.149147 0.433977 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Se",
"Cl"
],
"chemical_system": "Bi-Cl-Se",
"density": 6.569424051717926,
"density_atomic": 0.03670018902542226,
"volume": 326.973792742255,
"volume_molar": 16.409018372707717,
"formula_full": "Bi4 Se4 Cl4",
"formula_reduced": "BiSeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4781605780555555,
"spacegroup": 62
},
{
"id": "jvasp-23540",
"created_at": "2022-09-04T14:37:39.567325Z",
"updated_at": "2022-09-04T14:37:39.567352Z",
"structure_string": "Pd8 Se8\n1.0\n6.826852 0.000000 0.000000\n-0.000000 6.826852 0.000000\n0.000000 0.000000 7.015141\nPd Se\n8 8\ndirect\n0.530557 0.737880 0.000000 Pd\n0.262120 0.530557 0.500000 Pd\n0.737880 0.469443 0.500000 Pd\n0.469443 0.262120 0.000000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.194280 0.307495 0.770728 Se\n0.692505 0.194280 0.270728 Se\n0.307495 0.805719 0.270728 Se\n0.805719 0.692505 0.770728 Se\n0.805719 0.692505 0.229272 Se\n0.307495 0.805719 0.729272 Se\n0.692505 0.194280 0.729272 Se\n0.194280 0.307495 0.229272 Se\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pd",
"Se"
],
"chemical_system": "Pd-Se",
"density": 7.532247502705355,
"density_atomic": 0.04893759274584708,
"volume": 326.94701766583694,
"volume_molar": 12.30575600903673,
"formula_full": "Pd8 Se8",
"formula_reduced": "PdSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.8663195333333336,
"spacegroup": 84
}
]
}