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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=583",
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"results": [
{
"id": "jvasp-62144",
"created_at": "2022-09-04T14:35:49.200090Z",
"updated_at": "2022-09-04T14:35:49.200109Z",
"structure_string": "P4 Au4 Cl32\n1.0\n-5.663533 6.046486 7.976217\n5.663533 -6.046486 7.976217\n5.663533 6.046486 -7.976217\nP Au Cl\n4 4 32\ndirect\n0.749860 0.749860 -0.000000 P\n0.250141 0.250141 -0.000000 P\n0.249859 0.749859 0.500000 P\n0.750141 0.250141 0.500000 P\n0.250000 0.325616 0.575617 Au\n0.750000 0.674383 0.424383 Au\n0.250000 0.835338 0.085338 Au\n0.750001 0.164662 0.914662 Au\n0.223093 0.414148 0.992523 Cl\n0.441957 0.323537 0.765494 Cl\n0.558043 0.676463 0.234506 Cl\n0.941957 0.676463 0.618420 Cl\n0.105163 0.690752 0.085589 Cl\n0.394837 0.980426 0.085589 Cl\n0.894837 0.309247 0.914411 Cl\n0.605164 0.019574 0.914411 Cl\n0.250000 0.629876 0.879876 Cl\n0.750000 0.370124 0.120124 Cl\n0.250000 0.039605 0.289605 Cl\n0.750000 0.960395 0.710395 Cl\n0.058043 0.323537 0.381580 Cl\n0.604983 0.529466 0.424484 Cl\n0.895018 0.819502 0.424484 Cl\n0.395018 0.470534 0.575516 Cl\n0.421626 0.230570 0.007477 Cl\n0.078374 0.585852 0.308944 Cl\n0.723093 0.230570 0.308945 Cl\n0.776907 0.585852 0.007477 Cl\n0.578374 0.769430 0.992523 Cl\n0.921627 0.414148 0.691056 Cl\n0.276907 0.769430 0.691055 Cl\n0.238438 0.931384 0.526653 Cl\n0.095269 0.068615 0.807054 Cl\n0.404731 0.711784 0.473346 Cl\n0.761562 0.068616 0.473347 Cl\n0.738439 0.711784 0.807054 Cl\n0.904731 0.931385 0.192946 Cl\n0.104983 0.180497 0.575516 Cl\n0.261562 0.288215 0.192946 Cl\n0.595270 0.288215 0.526654 Cl\n",
"nsites": 40,
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"elements": [
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"Au",
"Cl"
],
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"density": 3.110010856960812,
"density_atomic": 0.03661108098683789,
"volume": 1092.565390636252,
"volume_molar": 16.44895642978974,
"formula_full": "P4 Au4 Cl32",
"formula_reduced": "PAuCl8",
"formula_anonymous": "ABC8",
"energy_above_hull": 0.454181561,
"spacegroup": 74
},
{
"id": "jvasp-107867",
"created_at": "2022-09-04T14:36:37.239448Z",
"updated_at": "2022-09-04T14:36:37.239467Z",
"structure_string": "Rb3 Au1 Cl6\n1.0\n6.721061 -0.000000 3.880406\n2.240354 6.336677 3.880406\n-0.000000 -0.000000 7.760813\nRb Au Cl\n3 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.772271 0.227729 0.227730 Cl\n0.227729 0.227729 0.772271 Cl\n0.227729 0.772271 0.772271 Cl\n0.227729 0.772271 0.227730 Cl\n0.772271 0.227729 0.772271 Cl\n0.772270 0.772271 0.227730 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb",
"density": 3.346370787890309,
"density_atomic": 0.030254736408235224,
"volume": 330.5267600109726,
"volume_molar": 19.904786737328163,
"formula_full": "Rb3 Au1 Cl6",
"formula_reduced": "Rb3AuCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56217",
"created_at": "2022-09-04T14:37:30.026601Z",
"updated_at": "2022-09-04T14:37:30.026622Z",
"structure_string": "Rb2 Au2 Cl8\n1.0\n5.786774 0.000000 0.000000\n-2.893387 5.965298 -1.282038\n0.000000 0.135601 9.905870\nRb Au Cl\n2 2 8\ndirect\n0.734594 0.500000 0.250000 Rb\n0.265405 0.500000 0.750000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 -0.000000 0.500000 Au\n0.817699 0.615600 0.928863 Cl\n0.322230 0.036886 0.852150 Cl\n0.702099 0.384400 0.571136 Cl\n0.182300 0.384400 0.071136 Cl\n0.677769 0.963115 0.147850 Cl\n0.785344 0.963115 0.647850 Cl\n0.214655 0.036886 0.352150 Cl\n0.297900 0.615600 0.428863 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb",
"density": 4.108280891871561,
"density_atomic": 0.034990016597198574,
"volume": 342.95496735948285,
"volume_molar": 17.211025731500094,
"formula_full": "Rb2 Au2 Cl8",
"formula_reduced": "RbAuCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0263523445833332,
"spacegroup": 15
},
{
"id": "jvasp-100671",
"created_at": "2022-09-04T14:36:47.282504Z",
"updated_at": "2022-09-04T14:36:47.282529Z",
"structure_string": "Rb1 Au1 Cl3\n1.0\n5.107179 -0.000000 0.000000\n0.000000 5.107179 0.000000\n0.000000 0.000000 5.107179\nRb Au Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Cl\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb",
"density": 4.846460840771618,
"density_atomic": 0.03753416558531984,
"volume": 133.2119662720189,
"volume_molar": 16.044424236129405,
"formula_full": "Rb1 Au1 Cl3",
"formula_reduced": "RbAuCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-99715",
"created_at": "2022-09-04T14:36:20.758556Z",
"updated_at": "2022-09-04T14:36:20.758592Z",
"structure_string": "Rb2 Sb1 Au1 Cl6\n1.0\n6.504546 -0.000000 3.755401\n2.168182 6.132545 3.755401\n0.000000 0.000000 7.510802\nRb Sb Au Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.750145 0.249855 0.249855 Cl\n0.249855 0.249855 0.750145 Cl\n0.249855 0.750144 0.750145 Cl\n0.249855 0.750144 0.249855 Cl\n0.750145 0.249855 0.750145 Cl\n0.750145 0.750144 0.249855 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Sb",
"density": 3.8929362546053596,
"density_atomic": 0.03337766517015994,
"volume": 299.60154339795247,
"volume_molar": 18.042426662557183,
"formula_full": "Rb2 Sb1 Au1 Cl6",
"formula_reduced": "Rb2SbAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106922",
"created_at": "2022-09-04T14:36:56.187553Z",
"updated_at": "2022-09-04T14:36:56.187569Z",
"structure_string": "Rb2 Sc1 Au1 Cl6\n1.0\n6.346269 -0.000000 3.664020\n2.115423 5.983320 3.664020\n-0.000000 -0.000000 7.328041\nRb Sc Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.760314 0.239686 0.239686 Cl\n0.239686 0.239686 0.760314 Cl\n0.239686 0.760314 0.760314 Cl\n0.239686 0.760314 0.239686 Cl\n0.760314 0.239686 0.760314 Cl\n0.760314 0.760314 0.239686 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Sc",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Sc",
"density": 3.7331946514784815,
"density_atomic": 0.03593779296598745,
"volume": 278.2586011740978,
"volume_molar": 16.757124639511186,
"formula_full": "Rb2 Sc1 Au1 Cl6",
"formula_reduced": "Rb2ScAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0376227224999999,
"spacegroup": 225
},
{
"id": "jvasp-109478",
"created_at": "2022-09-04T14:38:27.492017Z",
"updated_at": "2022-09-04T14:38:27.492044Z",
"structure_string": "Rb2 Tb1 Au1 Cl6\n1.0\n6.529613 -0.000000 3.769874\n2.176538 6.156178 3.769874\n-0.000000 -0.000000 7.539747\nTb Rb Au Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Au\n0.753687 0.246312 0.246312 Cl\n0.246312 0.246312 0.753688 Cl\n0.246312 0.753688 0.753687 Cl\n0.246312 0.753688 0.246312 Cl\n0.753687 0.246312 0.753688 Cl\n0.753688 0.753688 0.246312 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tb",
"Rb",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Tb",
"density": 4.051899114846733,
"density_atomic": 0.032994732841264,
"volume": 303.0786776819651,
"volume_molar": 18.25182458355464,
"formula_full": "Rb2 Tb1 Au1 Cl6",
"formula_reduced": "Rb2TbAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101512",
"created_at": "2022-09-04T14:36:37.533366Z",
"updated_at": "2022-09-04T14:36:37.533392Z",
"structure_string": "Rb2 Tm1 Au1 Cl6\n1.0\n6.474698 -0.000000 3.738169\n2.158233 6.104404 3.738169\n-0.000000 -0.000000 7.476337\nRb Tm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Au\n0.755967 0.244033 0.244033 Cl\n0.244033 0.244033 0.755967 Cl\n0.244033 0.755967 0.755968 Cl\n0.244033 0.755967 0.244034 Cl\n0.755967 0.244033 0.755967 Cl\n0.755967 0.755967 0.244034 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tm",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Rb-Tm",
"density": 4.212118583283494,
"density_atomic": 0.03384140193931268,
"volume": 295.4960322841489,
"volume_molar": 17.795187004366486,
"formula_full": "Rb2 Tm1 Au1 Cl6",
"formula_reduced": "Rb2TmAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5470",
"created_at": "2022-09-04T14:38:08.716787Z",
"updated_at": "2022-09-04T14:38:08.716819Z",
"structure_string": "Au4 S4 Cl20\n1.0\n0.000000 8.023561 -0.072071\n8.070099 0.000000 0.000000\n0.000000 -5.711018 -11.565242\nAu S Cl\n4 4 20\ndirect\n0.910597 0.677447 0.341492 Au\n0.089402 0.177447 0.158508 Au\n0.089402 0.322553 0.658508 Au\n0.910597 0.822553 0.841491 Au\n0.762686 0.773645 0.963066 S\n0.762686 0.726355 0.463066 S\n0.237314 0.226355 0.036934 S\n0.237313 0.273645 0.536933 S\n0.076947 0.629241 0.235109 Cl\n0.643429 0.784737 0.675549 Cl\n0.356570 0.284737 0.824451 Cl\n0.248325 0.022022 0.544566 Cl\n0.643429 0.715263 0.175549 Cl\n0.751674 0.522022 0.955433 Cl\n0.923052 0.129241 0.264890 Cl\n0.356570 0.215263 0.324451 Cl\n0.923052 0.370759 0.764890 Cl\n0.820455 0.349871 0.485873 Cl\n0.179544 0.650129 0.514127 Cl\n0.820455 0.150129 0.985873 Cl\n0.248325 0.477978 0.044566 Cl\n0.179544 0.849871 0.014127 Cl\n0.508374 0.167132 0.123666 Cl\n0.508374 0.332868 0.623666 Cl\n0.491625 0.832868 0.876334 Cl\n0.491626 0.667132 0.376334 Cl\n0.076947 0.870759 0.735109 Cl\n0.751675 0.977978 0.455433 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
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"density": 3.5878097163401836,
"density_atomic": 0.03722504138978849,
"volume": 752.181836597794,
"volume_molar": 16.177660346811553,
"formula_full": "Au4 S4 Cl20",
"formula_reduced": "AuSCl5",
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"spacegroup": 14
},
{
"id": "jvasp-5506",
"created_at": "2022-09-04T14:36:02.120132Z",
"updated_at": "2022-09-04T14:36:02.120158Z",
"structure_string": "Au4 Se4 Cl28\n1.0\n0.000000 8.376473 0.032525\n9.991076 0.000000 0.000000\n0.000000 -3.859421 -11.602832\nAu Se Cl\n4 4 28\ndirect\n0.776453 0.079684 0.945292 Au\n0.223546 0.579685 0.554707 Au\n0.223546 0.920316 0.054707 Au\n0.776453 0.420316 0.445293 Au\n0.757104 0.705430 0.003014 Se\n0.242895 0.205430 0.496986 Se\n0.242895 0.294570 0.996986 Se\n0.757104 0.794570 0.503014 Se\n0.937541 0.252152 0.053253 Cl\n0.731796 0.299572 0.278188 Cl\n0.268204 0.799572 0.221811 Cl\n0.268204 0.700428 0.721811 Cl\n0.731796 0.200428 0.778188 Cl\n0.717076 0.950344 0.368755 Cl\n0.282924 0.049657 0.631244 Cl\n0.282924 0.450344 0.131244 Cl\n0.062459 0.752153 0.446746 Cl\n0.894393 0.911602 0.656592 Cl\n0.105607 0.411602 0.843407 Cl\n0.717076 0.549657 0.868755 Cl\n0.062459 0.747848 0.946746 Cl\n0.184595 0.040725 0.883445 Cl\n0.815405 0.959276 0.116555 Cl\n0.184595 0.459276 0.383445 Cl\n0.105607 0.088399 0.343408 Cl\n0.815405 0.540725 0.616554 Cl\n0.613753 0.907855 0.838330 Cl\n0.386247 0.407855 0.661669 Cl\n0.386246 0.092145 0.161670 Cl\n0.613753 0.592146 0.338330 Cl\n0.507794 0.810299 0.528872 Cl\n0.492205 0.310299 0.971127 Cl\n0.492205 0.189702 0.471127 Cl\n0.507794 0.689702 0.028872 Cl\n0.937541 0.247848 0.553253 Cl\n0.894393 0.588399 0.156592 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Se",
"Cl"
],
"chemical_system": "Au-Cl-Se",
"density": 3.5895917135696482,
"density_atomic": 0.037121568712647025,
"volume": 969.7866024647575,
"volume_molar": 16.22275396445815,
"formula_full": "Au4 Se4 Cl28",
"formula_reduced": "AuSeCl7",
"formula_anonymous": "ABC7",
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"spacegroup": 14
},
{
"id": "jvasp-14342",
"created_at": "2022-09-04T14:36:57.544958Z",
"updated_at": "2022-09-04T14:36:57.544966Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 -0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
},
{
"id": "jvasp-18444",
"created_at": "2022-09-04T14:35:57.478487Z",
"updated_at": "2022-09-04T14:35:57.478524Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
}
]
}