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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1559",
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"results": [
{
"id": "jvasp-54506",
"created_at": "2022-09-04T14:38:36.414972Z",
"updated_at": "2022-09-04T14:38:36.414997Z",
"structure_string": "Rb2 Cr6 S10\n1.0\n3.486907 -0.000000 0.572238\n1.286639 9.253839 3.069704\n0.007636 -0.040586 10.863240\nRb Cr S\n2 6 10\ndirect\n0.253525 0.658227 0.834725 Rb\n0.746477 0.341773 0.165274 Rb\n0.980669 0.266612 0.772054 Cr\n0.835380 0.940613 0.388630 Cr\n0.500000 0.000000 0.000000 Cr\n0.019333 0.733388 0.227946 Cr\n0.164622 0.059387 0.611370 Cr\n0.500001 0.500000 0.500000 Cr\n0.593637 0.732406 0.080322 S\n0.255789 0.104521 0.383902 S\n0.926388 0.995341 0.151885 S\n0.918799 0.512497 0.649909 S\n0.406366 0.267594 0.919678 S\n0.073615 0.004659 0.848114 S\n0.425940 0.757469 0.390655 S\n0.744214 0.895479 0.616098 S\n0.574062 0.242531 0.609345 S\n0.081204 0.487502 0.350091 S\n",
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"volume": 350.89126882583633,
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"formula_full": "Rb2 Cr6 S10",
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{
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"created_at": "2022-09-04T14:36:46.217050Z",
"updated_at": "2022-09-04T14:36:46.217066Z",
"structure_string": "Rb1 Cr2 S4\n1.0\n7.843326 -0.066077 1.395399\n7.116808 3.297449 1.395399\n-0.344361 -0.074382 5.560061\nRb Cr S\n1 2 4\ndirect\n0.500001 0.500000 0.500000 Rb\n0.752629 0.752628 0.205417 Cr\n0.247372 0.247372 0.794582 Cr\n0.347833 0.347833 0.055691 S\n0.652168 0.652167 0.944309 S\n0.824728 0.824727 0.565646 S\n0.175273 0.175273 0.434354 S\n",
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"elements": [
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"density": 3.5622224228884947,
"density_atomic": 0.047263450206261264,
"volume": 148.10598823089452,
"volume_molar": 12.741644407505003,
"formula_full": "Rb1 Cr2 S4",
"formula_reduced": "Rb(CrS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-86982",
"created_at": "2022-09-04T14:35:43.813154Z",
"updated_at": "2022-09-04T14:35:43.813179Z",
"structure_string": "Rb1 Cr5 S8\n1.0\n3.416918 -0.000000 -0.661352\n-0.408634 8.444596 -2.111237\n-0.040848 0.013315 8.946506\nRb Cr S\n1 5 8\ndirect\n0.500001 0.500000 0.000000 Rb\n0.295814 0.665256 0.591626 Cr\n0.704188 0.334745 0.408374 Cr\n0.345096 0.024567 0.690191 Cr\n0.654905 0.975434 0.309809 Cr\n0.000000 0.000000 0.000000 Cr\n0.237814 0.154263 0.475627 S\n0.762187 0.845738 0.524374 S\n0.170094 0.488411 0.340186 S\n0.829907 0.511590 0.659814 S\n0.086264 0.824221 0.172525 S\n0.913738 0.175780 0.827475 S\n0.426180 0.845100 0.852359 S\n0.573821 0.154901 0.147641 S\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cr-Rb-S",
"density": 3.8741107102641505,
"density_atomic": 0.05425969446420271,
"volume": 258.0184082908237,
"volume_molar": 11.098736952846368,
"formula_full": "Rb1 Cr5 S8",
"formula_reduced": "RbCr5S8",
"formula_anonymous": "AB5C8",
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"spacegroup": 12
},
{
"id": "jvasp-92760",
"created_at": "2022-09-04T14:35:41.678126Z",
"updated_at": "2022-09-04T14:35:41.678159Z",
"structure_string": "Rb1 Cr1 O3\n1.0\n3.838060 -0.000000 -0.000000\n0.000000 3.838060 -0.000000\n0.000000 0.000000 3.838060\nRb Cr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Rb",
"density": 5.447145692061788,
"density_atomic": 0.08843714729090171,
"volume": 56.537327957370614,
"volume_molar": 6.809514943071383,
"formula_full": "Rb1 Cr1 O3",
"formula_reduced": "RbCrO3",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-11749",
"created_at": "2022-09-04T14:37:07.188227Z",
"updated_at": "2022-09-04T14:37:07.188238Z",
"structure_string": "Rb1 Cr4 O8\n1.0\n2.970827 0.012738 0.001531\n-1.455407 -6.964912 -0.013589\n-1.481776 0.005957 -6.959797\nRb Cr O\n1 4 8\ndirect\n0.500008 0.999998 0.000003 Rb\n0.652633 0.815651 0.489604 Cr\n0.836976 0.489627 0.184337 Cr\n0.347357 0.184355 0.510396 Cr\n0.163033 0.510369 0.815655 Cr\n0.836992 0.297304 0.376716 O\n0.163008 0.702705 0.623293 O\n0.539718 0.376647 0.702769 O\n0.460276 0.623352 0.297227 O\n0.795922 0.640925 0.950928 O\n0.844966 0.049030 0.640929 O\n0.204077 0.359060 0.049072 O\n0.155024 0.950970 0.359072 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Cr-O-Rb",
"density": 4.864502515394582,
"density_atomic": 0.09036272272830496,
"volume": 143.8646336397732,
"volume_molar": 6.664408262804194,
"formula_full": "Rb1 Cr4 O8",
"formula_reduced": "RbCr4O8",
"formula_anonymous": "AB4C8",
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"spacegroup": 87
},
{
"id": "jvasp-104994",
"created_at": "2022-09-04T14:36:57.670423Z",
"updated_at": "2022-09-04T14:36:57.670451Z",
"structure_string": "Rb2 Cr2 O4\n1.0\n2.714370 -0.000050 1.567110\n0.904893 12.352329 1.567282\n0.000019 -0.000050 3.134268\nRb Cr O\n2 2 4\ndirect\n0.500001 0.500001 0.499998 Rb\n-0.000000 0.999999 -0.000002 Rb\n0.250000 0.250000 0.250001 Cr\n0.749999 0.750000 0.749999 Cr\n0.390135 0.829584 0.390136 O\n0.890135 0.329585 0.890137 O\n0.109863 0.670416 0.109864 O\n0.609863 0.170415 0.609865 O\n",
"nsites": 8,
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"elements": [
"Rb",
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],
"chemical_system": "Cr-O-Rb",
"density": 5.355493996436797,
"density_atomic": 0.0761265781721235,
"volume": 105.0881333706063,
"volume_molar": 7.910694142043056,
"formula_full": "Rb2 Cr2 O4",
"formula_reduced": "RbCrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6939936000000002,
"spacegroup": 166
},
{
"id": "jvasp-22714",
"created_at": "2022-09-04T14:36:13.212740Z",
"updated_at": "2022-09-04T14:36:13.212767Z",
"structure_string": "Rb1 Cr1 O2\n1.0\n1.525582 0.880796 6.234746\n-1.525582 0.880796 6.234746\n0.000000 -1.761590 6.234746\nRb Cr O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500001 0.500001 0.499999 Cr\n0.220947 0.220947 0.220946 O\n0.779055 0.779055 0.779051 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
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"density": 5.598125657059948,
"density_atomic": 0.07957550708358332,
"volume": 50.26672334991896,
"volume_molar": 7.567832088929768,
"formula_full": "Rb1 Cr1 O2",
"formula_reduced": "RbCrO2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-53108",
"created_at": "2022-09-04T14:38:15.839733Z",
"updated_at": "2022-09-04T14:38:15.839751Z",
"structure_string": "Rb2 Cr2 I6\n1.0\n6.813381 0.028361 0.651594\n0.305051 6.875743 3.933754\n-0.048283 0.010068 7.927225\nRb Cr I\n2 2 6\ndirect\n0.252681 0.661452 0.661453 Rb\n0.747319 0.338547 0.338547 Rb\n0.000000 0.000000 0.000000 Cr\n0.500000 -0.000000 -0.000000 Cr\n0.206977 0.167128 0.167128 I\n0.272232 0.163541 0.665669 I\n0.272232 0.665669 0.163541 I\n0.727768 0.334331 0.836459 I\n0.727768 0.836459 0.334331 I\n0.793024 0.832871 0.832872 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"I"
],
"chemical_system": "Cr-I-Rb",
"density": 4.635544716314268,
"density_atomic": 0.026936631778189907,
"volume": 371.24166385556845,
"volume_molar": 22.356695557148377,
"formula_full": "Rb2 Cr2 I6",
"formula_reduced": "RbCrI3",
"formula_anonymous": "ABC3",
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"spacegroup": 12
},
{
"id": "jvasp-57630",
"created_at": "2022-09-04T14:37:18.035291Z",
"updated_at": "2022-09-04T14:37:18.035309Z",
"structure_string": "Rb2 Cr1 F6\n1.0\n5.180506 -0.000000 2.990967\n1.726836 4.884229 2.990967\n-0.000000 -0.000000 5.981933\nRb Cr F\n2 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Cr\n0.218441 0.781560 0.781559 F\n0.218441 0.781560 0.218441 F\n0.781560 0.218441 0.781559 F\n0.781560 0.218441 0.218441 F\n0.781560 0.781560 0.218441 F\n0.218441 0.218441 0.781559 F\n",
"nsites": 9,
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"elements": [
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],
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"density": 3.6963141748830837,
"density_atomic": 0.05946107629676664,
"volume": 151.35952055562439,
"volume_molar": 10.127870423912038,
"formula_full": "Rb2 Cr1 F6",
"formula_reduced": "Rb2CrF6",
"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-97916",
"created_at": "2022-09-04T14:35:47.022072Z",
"updated_at": "2022-09-04T14:35:47.022098Z",
"structure_string": "Rb4 Cr4 F20\n1.0\n5.540073 0.000000 0.000000\n0.000000 7.794240 0.000000\n0.000000 0.000000 9.664776\nRb Cr F\n4 4 20\ndirect\n0.500000 0.877569 0.970450 Rb\n0.500000 0.122431 0.470450 Rb\n0.000000 0.351541 0.152836 Rb\n0.000000 0.648459 0.652836 Rb\n0.000000 0.862866 0.229647 Cr\n0.500000 0.577426 0.344778 Cr\n0.500000 0.422574 0.844778 Cr\n0.000000 0.137134 0.729647 Cr\n0.735387 0.471088 0.439746 F\n0.252787 0.685540 0.228537 F\n0.000000 0.850568 0.414164 F\n0.264612 0.471088 0.439746 F\n0.252787 0.314460 0.728537 F\n0.000000 0.149432 0.914165 F\n0.500000 0.403895 0.219385 F\n0.000000 0.165087 0.544403 F\n0.766905 0.024998 0.223103 F\n0.766905 0.975002 0.723103 F\n0.233095 0.975002 0.723103 F\n0.500000 0.596105 0.719385 F\n0.500000 0.763469 0.453078 F\n0.500000 0.236531 0.953078 F\n0.747212 0.314460 0.728537 F\n0.233095 0.024998 0.223103 F\n0.747212 0.685540 0.228537 F\n0.264612 0.528912 0.939746 F\n0.000000 0.834913 0.044403 F\n0.735387 0.528912 0.939746 F\n",
"nsites": 28,
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],
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"density": 3.699718128365134,
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"volume": 417.331392703539,
"volume_molar": 8.975815680098389,
"formula_full": "Rb4 Cr4 F20",
"formula_reduced": "RbCrF5",
"formula_anonymous": "ABC5",
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"spacegroup": 26
},
{
"id": "jvasp-90372",
"created_at": "2022-09-04T14:36:11.691628Z",
"updated_at": "2022-09-04T14:36:11.691642Z",
"structure_string": "Rb2 Cr1 F6\n1.0\n5.189063 -0.000000 2.995907\n1.729688 4.892296 2.995907\n-0.000000 0.000000 5.991814\nRb Cr F\n2 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Cr\n0.218105 0.781896 0.781895 F\n0.218105 0.781896 0.218105 F\n0.781895 0.218105 0.781895 F\n0.781895 0.218105 0.218105 F\n0.781895 0.781896 0.218105 F\n0.218105 0.218105 0.781895 F\n",
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],
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"volume": 152.1107796182373,
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"formula_full": "Rb2 Cr1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-57534",
"created_at": "2022-09-04T14:38:33.389366Z",
"updated_at": "2022-09-04T14:38:33.389389Z",
"structure_string": "Rb6 Cr2 F14\n1.0\n8.014313 0.000000 -0.000000\n-0.000000 8.014313 -0.000000\n0.000000 0.000000 5.922036\nRb Cr F\n6 2 14\ndirect\n0.188474 0.688474 0.500000 Rb\n0.688474 0.811526 0.500000 Rb\n0.311526 0.188474 0.500000 Rb\n0.811526 0.311526 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.337213 0.162787 0.000000 F\n0.837212 0.337213 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.613354 0.113354 0.223523 F\n0.113354 0.386646 0.223523 F\n0.113354 0.386646 0.776477 F\n0.386646 0.886646 0.223523 F\n0.886646 0.613354 0.776477 F\n0.662787 0.837212 0.000000 F\n0.613354 0.113354 0.776477 F\n0.386646 0.886646 0.776477 F\n0.886646 0.613354 0.223523 F\n0.162787 0.662787 0.000000 F\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.8538631541866835,
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"volume": 380.3677108202434,
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"formula_full": "Rb6 Cr2 F14",
"formula_reduced": "Rb3CrF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
}
]
}