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=3818",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3816",
"results": [
{
"id": "jvasp-49191",
"created_at": "2022-09-04T14:37:18.575286Z",
"updated_at": "2022-09-04T14:37:18.575311Z",
"structure_string": "Na3 Rh1 N6 O12\n1.0\n6.426259 -0.009824 2.037804\n1.488718 6.251449 2.037804\n-0.012457 -0.009824 6.741609\nNa Rh N O\n3 1 6 12\ndirect\n0.267438 0.267439 0.267438 Na\n0.732561 0.732563 0.732561 Na\n0.500000 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Rh\n0.203550 0.203551 0.825661 N\n0.796450 0.174340 0.796449 N\n0.825661 0.203551 0.203549 N\n0.174338 0.796451 0.796449 N\n0.796450 0.796451 0.174338 N\n0.203550 0.825662 0.203549 N\n0.912506 0.286401 0.286400 O\n0.087494 0.713600 0.713599 O\n0.713600 0.713600 0.087493 O\n0.713599 0.087495 0.713599 O\n0.243324 0.243325 0.625908 O\n0.625908 0.243325 0.243323 O\n0.374092 0.756677 0.756675 O\n0.756676 0.374093 0.756675 O\n0.756676 0.756677 0.374091 O\n0.286400 0.912506 0.286400 O\n0.286400 0.286401 0.912505 O\n0.243324 0.625909 0.243323 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Rh",
"N",
"O"
],
"chemical_system": "N-Na-O-Rh",
"density": 2.7426105771851303,
"density_atomic": 0.08112395152981779,
"volume": 271.1899455725319,
"volume_molar": 7.423381931520572,
"formula_full": "Na3 Rh1 N6 O12",
"formula_reduced": "Na3Rh(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.4663191590909093,
"spacegroup": 166
},
{
"id": "jvasp-33922",
"created_at": "2022-09-04T14:37:39.889234Z",
"updated_at": "2022-09-04T14:37:39.889243Z",
"structure_string": "Te4 Mo4 S4\n1.0\n1.514811 -3.020771 -0.000001\n-0.000016 -0.000001 13.804367\n-5.197170 -2.606203 0.000006\nTe Mo S\n4 4 4\ndirect\n0.999991 0.615619 0.374317 Te\n0.500009 0.115629 0.125680 Te\n0.500009 0.384371 0.125681 Te\n0.999990 0.884382 0.374318 Te\n0.000008 0.250000 0.311397 Mo\n0.499992 0.750000 0.188617 Mo\n0.499997 0.250000 0.779289 Mo\n0.000000 0.750000 0.720694 Mo\n0.500000 0.638570 0.869263 S\n-0.000004 0.138565 0.630742 S\n-0.000004 0.361436 0.630742 S\n0.500000 0.861431 0.869263 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.2597590247374235,
"density_atomic": 0.04424461569649625,
"volume": 271.21944243602695,
"volume_molar": 13.61101382665393,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4099978888888884,
"spacegroup": 59
},
{
"id": "jvasp-111861",
"created_at": "2022-09-04T14:38:41.819405Z",
"updated_at": "2022-09-04T14:38:41.819440Z",
"structure_string": "Mg2 Si4 Sn2 O12\n1.0\n7.023279 0.039976 1.793536\n0.282321 7.017716 1.793536\n-0.020151 -0.019467 5.494416\nMg Si Sn O\n2 4 2 12\ndirect\n0.703561 0.296440 0.250001 Mg\n0.296440 0.703561 0.750001 Mg\n0.826696 0.635822 0.782182 Si\n0.364179 0.173304 0.717821 Si\n0.635821 0.826697 0.282181 Si\n0.173304 0.364179 0.217820 Si\n0.851112 0.148888 0.750001 Sn\n0.148888 0.851113 0.250001 Sn\n0.947787 0.330438 0.327387 O\n0.669563 0.052213 0.172614 O\n0.411993 0.772639 0.380332 O\n0.227362 0.588007 0.119670 O\n0.588007 0.227362 0.619670 O\n0.259793 0.282784 0.951594 O\n0.740208 0.717217 0.048408 O\n0.282784 0.259793 0.451594 O\n0.052213 0.669563 0.672615 O\n0.717216 0.740208 0.548408 O\n0.772638 0.411993 0.880332 O\n0.330437 0.947787 0.827388 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Si",
"Sn",
"O"
],
"chemical_system": "Mg-O-Si-Sn",
"density": 3.614351647175874,
"density_atomic": 0.07373791385581553,
"volume": 271.23088997482733,
"volume_molar": 8.166952989442414,
"formula_full": "Mg2 Si4 Sn2 O12",
"formula_reduced": "MgSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.171883895,
"spacegroup": 15
},
{
"id": "jvasp-11782",
"created_at": "2022-09-04T14:37:09.984037Z",
"updated_at": "2022-09-04T14:37:09.984062Z",
"structure_string": "Rb4 Li2 V2 O8\n1.0\n5.882140 0.000000 -0.000000\n-2.941070 5.832106 -0.000000\n-0.000000 0.000000 7.906619\nRb Li V O\n4 2 2 8\ndirect\n0.604949 0.209900 0.550221 Rb\n0.395051 0.790101 0.050221 Rb\n0.938152 0.876303 0.408570 Rb\n0.061849 0.123697 0.908570 Rb\n0.799264 0.598527 0.829239 Li\n0.200737 0.401473 0.329239 Li\n0.309741 0.619482 0.611002 V\n0.690260 0.380519 0.111002 V\n0.404392 0.289614 0.218309 O\n0.595609 0.710387 0.718309 O\n0.633626 0.267252 0.908008 O\n0.366374 0.732748 0.408008 O\n0.885222 0.289614 0.218309 O\n0.114778 0.710387 0.718309 O\n0.162306 0.324613 0.577641 O\n0.837695 0.675388 0.077641 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Li",
"V",
"O"
],
"chemical_system": "Li-O-Rb-V",
"density": 3.585270060220261,
"density_atomic": 0.058988642952468695,
"volume": 271.2386520383649,
"volume_molar": 10.208983388298089,
"formula_full": "Rb4 Li2 V2 O8",
"formula_reduced": "Rb2LiVO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.562034775,
"spacegroup": 36
},
{
"id": "jvasp-105055",
"created_at": "2022-09-04T14:36:50.539005Z",
"updated_at": "2022-09-04T14:36:50.539024Z",
"structure_string": "Rb2 Dy1 Cu1 Cl6\n1.0\n6.292473 -0.000000 3.632961\n2.097491 5.932601 3.632961\n-0.000000 -0.000000 7.265922\nRb Dy Cu 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 Dy\n0.500000 0.500000 0.500000 Cu\n0.745245 0.254755 0.254755 Cl\n0.254755 0.254755 0.745245 Cl\n0.254755 0.745245 0.745245 Cl\n0.254755 0.745245 0.254755 Cl\n0.745245 0.254755 0.745245 Cl\n0.745244 0.745245 0.254755 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Dy",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Dy-Rb",
"density": 3.73256839845267,
"density_atomic": 0.03686742175913791,
"volume": 271.24218409770987,
"volume_molar": 16.334586126862426,
"formula_full": "Rb2 Dy1 Cu1 Cl6",
"formula_reduced": "Rb2DyCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-57832",
"created_at": "2022-09-04T14:37:09.636097Z",
"updated_at": "2022-09-04T14:37:09.636117Z",
"structure_string": "Ga1 Mo4 Se8\n1.0\n6.292495 -0.000000 3.632974\n2.097498 5.932621 3.632974\n-0.000000 -0.000000 7.265947\nGa Mo Se\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.400033 0.799899 0.400033 Mo\n0.799899 0.400033 0.400033 Mo\n0.400033 0.400033 0.799900 Mo\n0.400033 0.400033 0.400033 Mo\n0.136785 0.589646 0.136785 Se\n0.589646 0.136785 0.136785 Se\n0.136785 0.136785 0.589646 Se\n0.635980 0.635980 0.635980 Se\n0.635980 0.635980 0.092058 Se\n0.092059 0.635980 0.635980 Se\n0.635980 0.092059 0.635981 Se\n0.136785 0.136785 0.136785 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"Se"
],
"chemical_system": "Ga-Mo-Se",
"density": 6.643277063998601,
"density_atomic": 0.0479271542442711,
"volume": 271.2449801159211,
"volume_molar": 12.565195774626757,
"formula_full": "Ga1 Mo4 Se8",
"formula_reduced": "Ga(MoSe2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2278848352564102,
"spacegroup": 216
},
{
"id": "jvasp-56789",
"created_at": "2022-09-04T14:37:16.230963Z",
"updated_at": "2022-09-04T14:37:16.230983Z",
"structure_string": "Ga1 Mo4 Se8\n1.0\n6.310599 0.025837 3.601673\n2.103468 5.949770 3.601673\n0.036380 0.025837 7.265975\nGa Mo Se\n1 4 8\ndirect\n0.002197 0.002197 0.002197 Ga\n0.802098 0.402238 0.402237 Mo\n0.402237 0.402238 0.802097 Mo\n0.402230 0.402230 0.402229 Mo\n0.402238 0.802098 0.402237 Mo\n0.138990 0.591838 0.138990 Se\n0.638179 0.638179 0.094263 Se\n0.138990 0.138990 0.591838 Se\n0.591837 0.138990 0.138990 Se\n0.638183 0.638184 0.638183 Se\n0.138980 0.138980 0.138980 Se\n0.094264 0.638179 0.638178 Se\n0.638178 0.094264 0.638178 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"Se"
],
"chemical_system": "Ga-Mo-Se",
"density": 6.643150308266133,
"density_atomic": 0.047926239779695436,
"volume": 271.25015565080105,
"volume_molar": 12.565435526931024,
"formula_full": "Ga1 Mo4 Se8",
"formula_reduced": "Ga(MoSe2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2278848352564102,
"spacegroup": 216
},
{
"id": "jvasp-3834",
"created_at": "2022-09-04T14:36:20.570792Z",
"updated_at": "2022-09-04T14:36:20.570814Z",
"structure_string": "K2 Pt1 Br6\n1.0\n6.292596 0.000000 3.633032\n2.097532 5.932717 3.633032\n0.000000 0.000000 7.266064\nK Pt Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Pt\n0.756839 0.243162 0.243161 Br\n0.756839 0.756839 0.243161 Br\n0.756839 0.243162 0.756837 Br\n0.243162 0.243162 0.756838 Br\n0.243161 0.756839 0.243161 Br\n0.243161 0.756839 0.756838 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Pt",
"Br"
],
"chemical_system": "Br-K-Pt",
"density": 4.607771843397193,
"density_atomic": 0.0331787338305661,
"volume": 271.25809097961115,
"volume_molar": 18.15060451297894,
"formula_full": "K2 Pt1 Br6",
"formula_reduced": "K2PtBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-64108",
"created_at": "2022-09-04T14:36:00.334946Z",
"updated_at": "2022-09-04T14:36:00.334977Z",
"structure_string": "Ba4 Ca1 Fe1\n1.0\n-0.000000 5.137907 5.137907\n5.137907 0.000000 5.137907\n5.137907 5.137907 0.000000\nBa Ca Fe\n4 1 1\ndirect\n0.119830 0.626724 0.626724 Ba\n0.626724 0.626724 0.626724 Ba\n0.626724 0.119830 0.626724 Ba\n0.626724 0.626724 0.119830 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Fe"
],
"chemical_system": "Ba-Ca-Fe",
"density": 3.9498045865699347,
"density_atomic": 0.0221188497171132,
"volume": 271.2618457440778,
"volume_molar": 27.226283631470725,
"formula_full": "Ba4 Ca1 Fe1",
"formula_reduced": "Ba4CaFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.5415249666666666,
"spacegroup": 216
},
{
"id": "jvasp-22485",
"created_at": "2022-09-04T14:37:37.546840Z",
"updated_at": "2022-09-04T14:37:37.546867Z",
"structure_string": "Ca1 Ti4 S8\n1.0\n6.142693 -0.015136 4.686412\n2.310673 5.691546 4.686412\n-0.022540 -0.015136 7.726231\nCa Ti S\n1 4 8\ndirect\n0.500000 0.500001 0.499999 Ca\n0.500000 0.999999 0.500001 Ti\n0.999999 0.499999 0.500001 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.763367 0.255541 0.763368 S\n0.236632 0.236632 0.744459 S\n0.236631 0.744460 0.236632 S\n0.744457 0.236632 0.236633 S\n0.261975 0.261976 0.261975 S\n0.738024 0.738024 0.738025 S\n0.255542 0.763368 0.763367 S\n0.763368 0.763368 0.255541 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"S"
],
"chemical_system": "Ca-S-Ti",
"density": 2.987680337193275,
"density_atomic": 0.047923643534857716,
"volume": 271.2648505229851,
"volume_molar": 12.566116254536738,
"formula_full": "Ca1 Ti4 S8",
"formula_reduced": "Ca(TiS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.714011057948718,
"spacegroup": 166
},
{
"id": "jvasp-48148",
"created_at": "2022-09-04T14:36:45.230495Z",
"updated_at": "2022-09-04T14:36:45.230524Z",
"structure_string": "Li4 Co4 Si4 O14\n1.0\n5.024869 0.000000 0.000000\n-2.512435 4.108665 0.000000\n0.000000 -0.000000 13.139484\nLi Co Si O\n4 4 4 14\ndirect\n0.343832 0.597091 0.583099 Li\n0.343832 0.597091 0.916901 Li\n0.746742 0.402907 0.083099 Li\n0.746742 0.402907 0.416901 Li\n0.025345 -0.000000 0.000000 Co\n0.025345 -0.000000 0.500000 Co\n0.003333 -0.004734 0.250000 Co\n0.008068 0.004734 0.750000 Co\n0.700124 0.304506 0.863154 Si\n0.700124 0.304506 0.636846 Si\n0.395616 0.695493 0.136846 Si\n0.395616 0.695493 0.363154 Si\n0.337549 0.210905 0.862952 O\n0.748473 0.024184 0.128927 O\n0.748473 0.024184 0.371073 O\n0.860919 0.487211 0.750000 O\n0.337549 0.210905 0.637047 O\n0.371910 0.441347 0.448684 O\n0.126642 0.789094 0.137047 O\n0.724287 0.975815 0.628927 O\n0.724287 0.975815 0.871073 O\n0.373708 0.512788 0.250000 O\n0.126642 0.789094 0.362953 O\n0.930563 0.558652 0.551316 O\n0.371910 0.441347 0.051316 O\n0.930563 0.558652 0.948683 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.671755621846919,
"density_atomic": 0.09584502191550322,
"volume": 271.2712614633397,
"volume_molar": 6.283206617980752,
"formula_full": "Li4 Co4 Si4 O14",
"formula_reduced": "Li2Co2Si2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.780621807692308,
"spacegroup": 40
},
{
"id": "jvasp-122107",
"created_at": "2022-09-04T14:38:54.423013Z",
"updated_at": "2022-09-04T14:38:54.423038Z",
"structure_string": "Nd1 Zr3 F15\n1.0\n6.857170 -0.004775 -2.872552\n-4.316330 5.328235 -2.872552\n-0.002279 -0.004775 7.434536\nNd Zr F\n1 3 15\ndirect\n0.997995 0.997995 0.997996 Nd\n0.360925 0.793280 0.360926 Zr\n0.360925 0.360924 0.793280 Zr\n0.793279 0.360924 0.360925 Zr\n0.176584 0.417532 0.176584 F\n0.859862 0.640212 0.640213 F\n0.640212 0.640212 0.859863 F\n0.640213 0.859862 0.640213 F\n0.755983 0.096608 0.096609 F\n0.096608 0.096608 0.755984 F\n0.653482 0.110217 0.441106 F\n0.176584 0.176584 0.417532 F\n0.441106 0.653482 0.110218 F\n0.441105 0.110217 0.653482 F\n0.110218 0.441105 0.653482 F\n0.110218 0.653482 0.441106 F\n0.653482 0.441105 0.110218 F\n0.096609 0.755985 0.096609 F\n0.417531 0.176584 0.176584 F\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"Zr",
"F"
],
"chemical_system": "F-Nd-Zr",
"density": 4.302298346674749,
"density_atomic": 0.07003540312449273,
"volume": 271.2913634012529,
"volume_molar": 8.59870935460346,
"formula_full": "Nd1 Zr3 F15",
"formula_reduced": "NdZr3F15",
"formula_anonymous": "AB3C15",
"energy_above_hull": null,
"spacegroup": 160
}
]
}