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=energy_above_hull&page=3461",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3459",
"results": [
{
"id": "jvasp-4603",
"created_at": "2022-09-04T14:35:59.287184Z",
"updated_at": "2022-09-04T14:35:59.287200Z",
"structure_string": "Mn2 P2 S6\n1.0\n5.995433 0.000510 -0.900892\n-3.201087 5.069346 -0.900892\n0.001377 0.002498 6.767986\nMn P S\n2 2 6\ndirect\n0.332534 0.667466 0.000000 Mn\n0.667465 0.332535 0.000000 Mn\n0.057123 0.057123 0.171705 P\n0.942877 0.942878 0.828296 P\n0.410172 0.082898 0.251297 S\n0.917102 0.589829 0.748704 S\n0.245247 0.245248 0.751010 S\n0.754753 0.754754 0.248991 S\n0.589828 0.917103 0.748704 S\n0.082898 0.410172 0.251297 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"P",
"S"
],
"chemical_system": "Mn-P-S",
"density": 2.9396324997715637,
"density_atomic": 0.04860576327169572,
"volume": 205.73691938756645,
"volume_molar": 12.389766880806981,
"formula_full": "Mn2 P2 S6",
"formula_reduced": "MnPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.668412548275862,
"spacegroup": 12
},
{
"id": "jvasp-44392",
"created_at": "2022-09-04T14:38:12.384043Z",
"updated_at": "2022-09-04T14:38:12.384077Z",
"structure_string": "Na4 Mn2 C2 S2 O14\n1.0\n0.000000 5.233973 -0.005974\n6.771147 0.000000 0.000000\n0.000000 -0.029287 -8.991181\nNa Mn C S O\n4 2 2 2 14\ndirect\n0.774094 0.495650 0.209150 Na\n0.774094 0.004351 0.209150 Na\n0.225905 0.504351 0.790850 Na\n0.225905 0.995650 0.790850 Na\n0.230720 0.250000 0.363144 Mn\n0.769279 0.750000 0.636856 Mn\n0.285722 0.250000 0.077694 C\n0.714277 0.750000 0.922305 C\n0.278262 0.750000 0.419908 S\n0.721737 0.250000 0.580091 S\n0.527330 0.750000 0.823324 O\n0.813517 0.072148 0.659010 O\n0.813517 0.427853 0.659010 O\n0.179955 0.750000 0.575700 O\n0.434574 0.250000 0.573733 O\n0.565425 0.750000 0.426266 O\n0.056533 0.250000 0.134701 O\n0.186482 0.572148 0.340990 O\n0.186482 0.927853 0.340990 O\n0.472668 0.250000 0.176675 O\n0.943465 0.750000 0.865299 O\n0.670967 0.750000 0.060621 O\n0.820044 0.250000 0.424300 O\n0.329031 0.250000 0.939379 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Mn-Na-O-S",
"density": 2.678438589280907,
"density_atomic": 0.07531806713559662,
"volume": 318.6486445117122,
"volume_molar": 7.995612459303051,
"formula_full": "Na4 Mn2 C2 S2 O14",
"formula_reduced": "Na2MnCSO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.6684416451149424,
"spacegroup": 11
},
{
"id": "jvasp-100255",
"created_at": "2022-09-04T14:36:58.352499Z",
"updated_at": "2022-09-04T14:36:58.352526Z",
"structure_string": "U2 Sb6\n1.0\n6.439898 0.000000 -0.000000\n-3.219949 5.577116 0.000000\n-0.000000 0.000000 5.854461\nU Sb\n2 6\ndirect\n0.333333 0.666668 0.750000 U\n0.666667 0.333333 0.250000 U\n0.173327 0.346653 0.250000 Sb\n0.653347 0.826674 0.250000 Sb\n0.173327 0.826674 0.250000 Sb\n0.826673 0.653348 0.750000 Sb\n0.346653 0.173327 0.750000 Sb\n0.826673 0.173327 0.750000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Sb"
],
"chemical_system": "Sb-U",
"density": 9.528910520664734,
"density_atomic": 0.03804647305123921,
"volume": 210.26916185439777,
"volume_molar": 15.828381127180075,
"formula_full": "U2 Sb6",
"formula_reduced": "USb3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.668498575,
"spacegroup": 194
},
{
"id": "jvasp-99925",
"created_at": "2022-09-04T14:36:49.402158Z",
"updated_at": "2022-09-04T14:36:49.402190Z",
"structure_string": "Tc1 Pt1\n1.0\n2.639521 0.000808 4.041684\n1.203466 2.349200 4.041684\n0.001322 0.000808 4.827244\nTc Pt\n1 1\ndirect\n0.500000 0.500001 0.499998 Tc\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"Pt"
],
"chemical_system": "Pt-Tc",
"density": 16.271034421591732,
"density_atomic": 0.06686578566656154,
"volume": 29.910663279623535,
"volume_molar": 9.00631122474281,
"formula_full": "Tc1 Pt1",
"formula_reduced": "TcPt",
"formula_anonymous": "AB",
"energy_above_hull": 2.6685364499999995,
"spacegroup": 166
},
{
"id": "jvasp-23902",
"created_at": "2022-09-04T14:37:41.750043Z",
"updated_at": "2022-09-04T14:37:41.750084Z",
"structure_string": "Si6 Bi8 O24\n1.0\n8.450712 -0.000000 -2.987778\n-4.225356 7.318531 -2.987778\n0.000000 0.000000 8.963334\nSi Bi O\n6 8 24\ndirect\n0.250000 0.625000 0.375000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.250000 0.625000 Si\n0.749999 0.875000 0.124999 Si\n0.125000 0.750000 0.874999 Si\n0.875000 0.125000 0.749999 Si\n0.161348 0.161348 0.161348 Bi\n0.500000 -0.000000 0.338651 Bi\n0.500000 -0.000000 0.838651 Bi\n0.838651 0.500000 -0.000000 Bi\n-0.000000 0.838652 0.499999 Bi\n-0.000000 0.338652 0.500000 Bi\n0.338651 0.500000 -0.000000 Bi\n0.661348 0.661348 0.661348 Bi\n0.429764 0.771087 0.580718 O\n0.309631 0.658678 0.228912 O\n0.658678 0.228913 0.309631 O\n0.809631 0.728913 0.158678 O\n0.349046 0.190369 0.419281 O\n0.150954 0.570236 0.841321 O\n0.341322 0.070236 0.650954 O\n0.070235 0.650954 0.341321 O\n0.580718 0.429764 0.771087 O\n0.728913 0.158678 0.809631 O\n0.228913 0.309631 0.658678 O\n0.271087 0.929764 0.080718 O\n0.650954 0.341322 0.070235 O\n0.841322 0.150954 0.570235 O\n0.158678 0.809631 0.728912 O\n0.771087 0.580718 0.429764 O\n0.919281 0.690369 0.849045 O\n0.190368 0.419282 0.349046 O\n0.690368 0.849046 0.919281 O\n0.929764 0.080718 0.271087 O\n0.849045 0.919281 0.690368 O\n0.419281 0.349046 0.190368 O\n0.080718 0.271087 0.929764 O\n0.570235 0.841322 0.150954 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 6.662908095622086,
"density_atomic": 0.0685483173760683,
"volume": 554.3535050105638,
"volume_molar": 8.785249573613108,
"formula_full": "Si6 Bi8 O24",
"formula_reduced": "Si3(BiO3)4",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.668661315789473,
"spacegroup": 220
},
{
"id": "jvasp-117275",
"created_at": "2022-09-04T14:38:48.980526Z",
"updated_at": "2022-09-04T14:38:48.980554Z",
"structure_string": "Co4 P4 O16\n1.0\n4.878097 0.000000 0.000000\n-0.000000 7.450238 1.981592\n-0.000000 0.412030 8.121771\nCo P O\n4 4 16\ndirect\n0.070595 0.006446 0.162795 Co\n0.180749 0.539934 0.252435 Co\n-0.070595 0.006446 0.662794 Co\n0.819251 0.539934 0.752435 Co\n0.690537 0.755004 0.017476 P\n0.679746 0.256044 0.307766 P\n0.309463 0.755004 0.517476 P\n0.320255 0.256044 0.807766 P\n0.613398 0.323187 0.755074 O\n0.145736 0.417305 0.822365 O\n0.111320 0.785546 0.658936 O\n0.198033 0.171604 0.672975 O\n0.599778 0.718782 0.593648 O\n0.296280 0.927341 0.358812 O\n0.212798 0.586858 0.468348 O\n0.888680 0.785546 0.158936 O\n0.386602 0.323187 0.255074 O\n-0.145736 0.417305 0.322365 O\n0.787203 0.586858 0.968348 O\n0.801967 0.171604 0.172975 O\n0.400222 0.718782 0.093648 O\n0.313206 0.108034 -0.013351 O\n0.686795 0.108034 0.486649 O\n0.703720 0.927341 0.858812 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.510663994221732,
"density_atomic": 0.08242139084253323,
"volume": 291.1865445931652,
"volume_molar": 7.306526495658573,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6687000666666667,
"spacegroup": 7
},
{
"id": "jvasp-46470",
"created_at": "2022-09-04T14:38:07.736977Z",
"updated_at": "2022-09-04T14:38:07.736999Z",
"structure_string": "Li4 Cr3 Ga1 O8\n1.0\n0.000000 5.088090 0.000637\n5.875472 0.000000 0.000000\n0.000000 -1.694841 -4.773775\nLi Cr Ga O\n4 3 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.748376 -0.000000 Li\n0.500000 0.251624 -0.000000 Li\n-0.000000 0.750041 0.500000 Cr\n-0.000000 0.249959 0.500000 Cr\n0.500000 0.500000 0.499999 Cr\n0.500000 0.000000 0.499999 Ga\n0.759340 0.000000 0.272827 O\n0.758110 0.500000 0.275888 O\n0.742807 0.748787 0.726892 O\n0.257193 0.748787 0.273106 O\n0.742807 0.251213 0.726892 O\n0.240659 0.000000 0.727171 O\n0.257193 0.251213 0.273106 O\n0.241890 0.500000 0.724111 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-Li-O",
"density": 4.438843859729441,
"density_atomic": 0.11211914963464874,
"volume": 142.70532778867457,
"volume_molar": 5.371197319658361,
"formula_full": "Li4 Cr3 Ga1 O8",
"formula_reduced": "Li4Cr3GaO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.6687039078125,
"spacegroup": 10
},
{
"id": "jvasp-46243",
"created_at": "2022-09-04T14:38:05.620429Z",
"updated_at": "2022-09-04T14:38:05.620461Z",
"structure_string": "Li4 Cr3 Ga1 O8\n1.0\n4.406586 2.544133 0.000681\n2.938214 -1.695679 4.774038\n2.937664 -5.088162 -0.000069\nLi Cr Ga O\n4 3 1 8\ndirect\n0.995576 0.001558 0.999220 Li\n0.004422 0.998442 0.500780 Li\n0.500000 -0.000000 0.250000 Li\n0.500000 -0.000000 0.750000 Li\n-0.000001 0.500000 -0.000018 Cr\n-0.000000 0.500000 0.500017 Cr\n0.499999 0.500000 0.750000 Cr\n0.500000 0.500000 0.250000 Ga\n0.240982 0.272810 0.363586 O\n0.241747 0.275980 0.862001 O\n0.742865 0.273137 0.112349 O\n0.257133 0.726864 0.387651 O\n0.257131 0.726866 0.885498 O\n0.759019 0.727190 0.136414 O\n0.742868 0.273134 0.614501 O\n0.758252 0.724019 0.638000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-Li-O",
"density": 4.438536396745435,
"density_atomic": 0.1121113835384759,
"volume": 142.71521316574336,
"volume_molar": 5.371569389234449,
"formula_full": "Li4 Cr3 Ga1 O8",
"formula_reduced": "Li4Cr3GaO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.6687045328125003,
"spacegroup": 12
},
{
"id": "jvasp-101753",
"created_at": "2022-09-04T14:36:36.821153Z",
"updated_at": "2022-09-04T14:36:36.821164Z",
"structure_string": "Cr2 Ag1 S4\n1.0\n6.464654 -0.020542 2.838335\n5.541618 3.329061 2.838335\n0.025751 0.007096 5.918457\nCr Ag S\n2 1 4\ndirect\n0.757579 0.757580 0.225188 Cr\n0.242419 0.242421 0.774814 Cr\n0.499999 0.500001 0.500001 Ag\n0.363421 0.363424 0.973902 S\n0.636577 0.636578 0.026100 S\n0.849117 0.849120 0.489341 S\n0.150881 0.150882 0.510661 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S",
"density": 4.419869513726404,
"density_atomic": 0.054780464368453095,
"volume": 127.78277951274818,
"volume_molar": 10.993226927568768,
"formula_full": "Cr2 Ag1 S4",
"formula_reduced": "Cr2AgS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.668838865714286,
"spacegroup": 12
},
{
"id": "jvasp-102156",
"created_at": "2022-09-04T14:36:34.798225Z",
"updated_at": "2022-09-04T14:36:34.798251Z",
"structure_string": "Rb1 As2 Ir2\n1.0\n3.886760 -0.032132 -6.415713\n-0.330579 3.872810 -6.415713\n0.029752 0.032132 7.501159\nRb As Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.352084 0.352085 0.000000 As\n0.647915 0.647916 0.000001 As\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"As",
"Ir"
],
"chemical_system": "As-Ir-Rb",
"density": 8.991976748589158,
"density_atomic": 0.043688089221667344,
"volume": 114.44766958405273,
"volume_molar": 13.784399517782724,
"formula_full": "Rb1 As2 Ir2",
"formula_reduced": "Rb(AsIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.66888314,
"spacegroup": 139
},
{
"id": "jvasp-112846",
"created_at": "2022-09-04T14:38:44.823157Z",
"updated_at": "2022-09-04T14:38:44.823194Z",
"structure_string": "Li4 Fe1 Ni3 P4 O16\n1.0\n5.913129 -0.000000 0.000000\n0.000000 4.693996 0.007303\n-0.000000 0.010344 10.079190\nLi Fe Ni P O\n4 1 3 4 16\ndirect\n0.250924 -0.001089 0.996546 Li\n0.749076 -0.001089 0.996546 Li\n0.746857 0.500956 0.505390 Li\n0.253143 0.500956 0.505390 Li\n-0.000000 0.977999 0.278322 Fe\n0.500000 0.016889 0.725473 Ni\n0.500000 0.478176 0.222608 Ni\n-0.000000 0.519560 0.775502 Ni\n0.500000 0.923581 0.406681 P\n0.500000 0.579235 0.905827 P\n-0.000000 0.416034 0.091141 P\n-0.000000 0.082375 0.595933 P\n0.708646 0.786030 0.333808 O\n-0.000000 0.755627 0.596667 O\n-0.000000 0.742263 0.095488 O\n0.291737 0.721365 0.834266 O\n0.708263 0.721365 0.834266 O\n0.500000 0.702143 0.049010 O\n-0.000000 0.292086 0.948637 O\n0.209234 0.222474 0.666032 O\n0.206764 0.274687 0.164347 O\n0.500000 0.252500 0.903104 O\n0.500000 0.249899 0.403950 O\n0.790766 0.222474 0.666032 O\n0.291354 0.786030 0.333808 O\n-0.000000 0.207296 0.452150 O\n0.793236 0.274687 0.164347 O\n0.500000 0.795488 0.548728 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"P",
"O"
],
"chemical_system": "Fe-Li-Ni-O-P",
"density": 3.7962545946020216,
"density_atomic": 0.10008592883546197,
"volume": 279.7596058286185,
"volume_molar": 6.016970447364489,
"formula_full": "Li4 Fe1 Ni3 P4 O16",
"formula_reduced": "Li4FeNi3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy_above_hull": 2.6688896678571425,
"spacegroup": 6
},
{
"id": "jvasp-42632",
"created_at": "2022-09-04T14:36:08.132311Z",
"updated_at": "2022-09-04T14:36:08.132339Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n4.994036 -0.069242 1.242615\n-0.159591 4.991766 1.243239\n0.110420 0.111259 10.318664\nLi Mn Si O\n4 2 4 12\ndirect\n0.931596 0.365898 0.166333 Li\n0.847549 0.781506 0.334823 Li\n0.217254 0.151209 0.666129 Li\n0.632863 0.067171 0.834617 Li\n0.788697 0.210063 0.500474 Mn\n0.038353 -0.039589 0.000472 Mn\n0.449527 0.027848 0.166055 Si\n0.365038 0.443816 0.334893 Si\n0.554937 0.633725 0.666063 Si\n-0.029095 0.549235 0.834901 Si\n0.242478 0.727627 0.721969 O\n0.714116 0.699233 0.779134 O\n0.553385 0.313333 0.672779 O\n0.690733 0.826714 0.514274 O\n0.172043 0.308033 0.486682 O\n0.408491 0.043328 0.014039 O\n0.299529 0.284634 0.221825 O\n0.271136 0.756276 0.278988 O\n0.763110 0.022830 0.173018 O\n-0.024075 0.235653 0.827936 O\n0.685429 0.445377 0.328176 O\n0.955417 0.590268 -0.013082 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8700759849210344,
"density_atomic": 0.08603385471500155,
"volume": 255.7132895286151,
"volume_molar": 6.999733744290701,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6689132219435736,
"spacegroup": 43
}
]
}