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=423",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=421",
"results": [
{
"id": "jvasp-23144",
"created_at": "2022-09-04T14:37:42.099911Z",
"updated_at": "2022-09-04T14:37:42.099936Z",
"structure_string": "In12 Rh4\n1.0\n7.098320 0.000000 0.000000\n0.000000 7.098320 0.000000\n0.000000 0.000000 7.263542\nIn Rh\n12 4\ndirect\n0.000000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.150976 0.150976 0.256733 In\n0.349024 0.650976 0.756733 In\n0.650976 0.349024 0.756733 In\n0.650976 0.349024 0.243267 In\n0.349024 0.650976 0.243267 In\n0.849024 0.849024 0.256733 In\n0.150976 0.150976 0.743266 In\n0.849024 0.849024 0.743266 In\n0.343775 0.343775 0.000000 Rh\n0.156225 0.843775 0.500000 Rh\n0.843775 0.156225 0.500000 Rh\n0.656225 0.656225 0.000000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Rh"
],
"chemical_system": "In-Rh",
"density": 8.11906752140417,
"density_atomic": 0.04371800976238306,
"volume": 365.98189366266894,
"volume_molar": 13.774965495299652,
"formula_full": "In12 Rh4",
"formula_reduced": "In3Rh",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2888357275000001,
"spacegroup": 136
},
{
"id": "jvasp-28705",
"created_at": "2022-09-04T14:36:21.005729Z",
"updated_at": "2022-09-04T14:36:21.005758Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.408276 -0.000000 0.000003\n-1.704138 2.951649 -0.000015\n0.000032 -0.000188 36.379015\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333340 0.666673 0.330839 Te\n0.333339 0.666694 0.710019 Te\n0.333335 0.666659 0.227723 Te\n0.333346 0.666705 0.606490 Te\n0.333320 0.666634 0.096612 Mo\n0.333334 0.666670 0.468730 Mo\n0.666671 0.333332 0.279322 Mo\n0.666675 0.333365 0.658300 W\n0.666663 0.333326 0.423431 Se\n0.666672 0.333345 0.514004 Se\n0.666649 0.333288 0.055384 S\n0.666657 0.333311 0.137891 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.4634233812048425,
"density_atomic": 0.03278920162888183,
"volume": 365.9741440435072,
"volume_molar": 18.36623174958763,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.638597125,
"spacegroup": 156
},
{
"id": "jvasp-53544",
"created_at": "2022-09-04T14:36:49.787685Z",
"updated_at": "2022-09-04T14:36:49.787697Z",
"structure_string": "Cr4 Cu3 Te8\n1.0\n6.929265 -0.026511 4.031363\n2.284759 6.541811 4.031363\n-0.000000 -0.000000 8.062725\nCr Cu Te\n4 3 8\ndirect\n0.489847 0.000085 0.505033 Cr\n0.494314 0.494315 0.995796 Cr\n0.494314 0.494315 0.515574 Cr\n0.000085 0.489847 0.505033 Cr\n0.126479 0.126479 0.123521 Cu\n0.897570 0.897571 0.352429 Cu\n0.871765 0.871766 0.878233 Cu\n0.254351 0.254351 0.261908 Te\n0.281594 0.722285 0.248060 Te\n0.254351 0.254351 0.729390 Te\n0.722284 0.281594 0.248060 Te\n0.267275 0.740288 0.746218 Te\n0.740288 0.267275 0.746218 Te\n0.738838 0.738839 0.272084 Te\n0.738838 0.738839 0.750238 Te\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"Te"
],
"chemical_system": "Cr-Cu-Te",
"density": 6.440414383403525,
"density_atomic": 0.040986828849877165,
"volume": 365.97122590138986,
"volume_molar": 14.69286824325285,
"formula_full": "Cr4 Cu3 Te8",
"formula_reduced": "Cr4Cu3Te8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.076450205555555,
"spacegroup": 44
},
{
"id": "jvasp-87078",
"created_at": "2022-09-04T14:35:48.615652Z",
"updated_at": "2022-09-04T14:35:48.615668Z",
"structure_string": "Te8 Mo6\n1.0\n7.153203 -0.012018 -0.317927\n-0.331837 7.145512 -0.317927\n-0.011492 -0.012018 7.160256\nTe Mo\n8 6\ndirect\n0.290468 0.290467 0.290468 Te\n0.709532 0.709532 0.709532 Te\n0.878930 0.617175 0.241457 Te\n0.241457 0.878930 0.617176 Te\n0.617176 0.241457 0.878931 Te\n0.121069 0.382824 0.758543 Te\n0.758542 0.121069 0.382824 Te\n0.382824 0.758542 0.121069 Te\n0.955493 0.253840 0.081033 Mo\n0.081033 0.955494 0.253840 Mo\n0.253841 0.081033 0.955494 Mo\n0.044506 0.746159 0.918967 Mo\n0.918967 0.044506 0.746159 Mo\n0.746159 0.918966 0.044505 Mo\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.244995345214827,
"density_atomic": 0.038261716384774054,
"volume": 365.900992501507,
"volume_molar": 15.739337721912714,
"formula_full": "Te8 Mo6",
"formula_reduced": "Te4Mo3",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.4903941095238094,
"spacegroup": 148
},
{
"id": "jvasp-109845",
"created_at": "2022-09-04T14:38:03.315863Z",
"updated_at": "2022-09-04T14:38:03.315886Z",
"structure_string": "K2 Pr1 Ag1 Br6\n1.0\n6.952665 -0.000000 4.014123\n2.317555 6.555035 4.014123\n-0.000000 -0.000000 8.028246\nK Pr Ag Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753366 0.246633 0.246633 Br\n0.246633 0.246633 0.753367 Br\n0.246632 0.753367 0.753367 Br\n0.246632 0.753367 0.246633 Br\n0.753366 0.246633 0.753367 Br\n0.753366 0.753367 0.246633 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Pr",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-K-Pr",
"density": 3.6597440542193778,
"density_atomic": 0.027330841855390784,
"volume": 365.88700973466655,
"volume_molar": 22.034230748776526,
"formula_full": "K2 Pr1 Ag1 Br6",
"formula_reduced": "K2PrAgBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-49565",
"created_at": "2022-09-04T14:37:19.366214Z",
"updated_at": "2022-09-04T14:37:19.366241Z",
"structure_string": "Al4 Bi6 O18\n1.0\n-5.257377 -0.001701 0.000586\n2.627052 5.038382 -0.028510\n0.001132 -0.805840 -13.808980\nAl Bi O\n4 6 18\ndirect\n0.970422 0.919086 0.756128 Al\n0.629687 0.247122 0.107760 Al\n0.617242 0.246302 0.607735 Al\n0.948673 0.919288 0.256136 Al\n0.333351 0.679760 0.149645 Bi\n0.697324 0.355390 0.849249 Bi\n0.019834 0.038166 0.487445 Bi\n0.657743 0.355379 0.349057 Bi\n0.346177 0.679082 0.649802 Bi\n0.018046 0.038076 0.987487 Bi\n0.737412 0.760135 0.865722 O\n0.214964 0.018924 0.646804 O\n0.374977 0.925886 0.029712 O\n0.987367 0.193777 0.345223 O\n0.653428 0.545228 0.686770 O\n0.335985 0.061591 0.210075 O\n0.989483 0.408162 0.561200 O\n0.892322 0.546177 0.186940 O\n0.123250 0.672906 0.777744 O\n0.206279 0.193635 0.845084 O\n0.804127 0.019946 0.147146 O\n0.477481 0.354784 0.503439 O\n0.549597 0.673115 0.277754 O\n0.419179 0.408805 0.061219 O\n0.022786 0.760435 0.366012 O\n0.725156 0.061148 0.710001 O\n0.551189 0.924833 0.529731 O\n0.878158 0.356114 0.003568 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"O"
],
"chemical_system": "Al-Bi-O",
"density": 7.488405098792225,
"density_atomic": 0.07653631635198678,
"volume": 365.8393993150829,
"volume_molar": 7.868344136533131,
"formula_full": "Al4 Bi6 O18",
"formula_reduced": "Al2(BiO3)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.3248278571428576,
"spacegroup": 9
},
{
"id": "jvasp-56366",
"created_at": "2022-09-04T14:38:31.401816Z",
"updated_at": "2022-09-04T14:38:31.401842Z",
"structure_string": "Ag2 Bi4 Se6 Cl2\n1.0\n0.000000 8.122489 0.004152\n4.143068 0.000000 0.000000\n0.000000 -2.769421 -10.871127\nAg Bi Se Cl\n2 4 6 2\ndirect\n0.049963 0.750000 0.412883 Ag\n0.950038 0.250000 0.587118 Ag\n0.807719 0.250000 0.066736 Bi\n0.192281 0.750000 0.933264 Bi\n0.532387 0.750000 0.341186 Bi\n0.467614 0.250000 0.658814 Bi\n0.797631 0.250000 0.335393 Se\n0.954667 0.250000 0.847814 Se\n0.309390 0.250000 0.410752 Se\n0.690611 0.750000 0.589249 Se\n0.202369 0.750000 0.664607 Se\n0.045333 0.750000 0.152186 Se\n0.406092 0.250000 0.098003 Cl\n0.593908 0.750000 0.901997 Cl\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Se",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-Se",
"density": 7.246710902850054,
"density_atomic": 0.03827355747749168,
"volume": 365.78778986597393,
"volume_molar": 15.734468277587117,
"formula_full": "Ag2 Bi4 Se6 Cl2",
"formula_reduced": "AgBi2Se3Cl",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.8805771467857143,
"spacegroup": 11
},
{
"id": "jvasp-26756",
"created_at": "2022-09-04T14:37:26.860626Z",
"updated_at": "2022-09-04T14:37:26.860652Z",
"structure_string": "Al2 I6 O18\n1.0\n4.510520 -7.812450 -0.000000\n4.510520 7.812450 0.000000\n0.000000 0.000000 5.190207\nAl I O\n2 6 18\ndirect\n0.333333 0.666667 0.085612 Al\n0.666667 0.333333 0.585612 Al\n0.335340 0.312341 0.217169 I\n0.664660 0.687659 0.717170 I\n0.022997 0.335340 0.717170 I\n0.977003 0.664660 0.217169 I\n0.312341 0.977003 0.717170 I\n0.687659 0.022997 0.217169 I\n0.046476 0.216033 0.979205 O\n0.714580 0.519285 0.811021 O\n0.953524 0.783968 0.479204 O\n0.422348 0.869989 0.877038 O\n0.552359 0.422348 0.377037 O\n0.830442 0.046476 0.479204 O\n0.447641 0.577652 0.877038 O\n0.169558 0.953524 0.979205 O\n0.480715 0.195295 0.811021 O\n0.577652 0.130011 0.377037 O\n0.804705 0.285420 0.811021 O\n0.869989 0.447641 0.377037 O\n0.195295 0.714580 0.311020 O\n0.285420 0.480715 0.311020 O\n0.519285 0.804705 0.311020 O\n0.130011 0.552359 0.877038 O\n0.216033 0.169558 0.479204 O\n0.783967 0.830442 0.979205 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Al",
"I",
"O"
],
"chemical_system": "Al-I-O",
"density": 5.0089340232866855,
"density_atomic": 0.0710795728912829,
"volume": 365.7872289098772,
"volume_molar": 8.472393002713929,
"formula_full": "Al2 I6 O18",
"formula_reduced": "Al(IO3)3",
"formula_anonymous": "AB3C9",
"energy_above_hull": 2.0466940865384617,
"spacegroup": 173
},
{
"id": "jvasp-29712",
"created_at": "2022-09-04T14:38:10.099691Z",
"updated_at": "2022-09-04T14:38:10.099724Z",
"structure_string": "Re6 Se8 Cl2\n1.0\n6.281359 0.000149 2.262758\n-0.095783 6.541639 1.541640\n0.024487 0.007454 8.911710\nRe Se Cl\n6 8 2\ndirect\n0.893054 0.754403 0.536674 Re\n0.840683 0.371144 0.718465 Re\n0.159318 0.628856 0.281535 Re\n0.773897 0.462202 0.430397 Re\n0.106947 0.245597 0.463326 Re\n0.226104 0.537798 0.569603 Re\n0.829703 0.828220 0.262699 Se\n0.170298 0.171779 0.737301 Se\n0.523014 0.593304 0.690962 Se\n0.713005 0.100175 0.608145 Se\n0.286996 0.899825 0.391855 Se\n0.476987 0.406695 0.309038 Se\n0.041576 0.338411 0.189330 Se\n0.958425 0.661589 0.810670 Se\n0.358466 0.791515 0.009620 Cl\n0.641535 0.208484 0.990380 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Re",
"Se",
"Cl"
],
"chemical_system": "Cl-Re-Se",
"density": 8.262200983850352,
"density_atomic": 0.0437457934084777,
"volume": 365.7494527667953,
"volume_molar": 13.76621679659133,
"formula_full": "Re6 Se8 Cl2",
"formula_reduced": "Re3Se4Cl",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.7986164417708337,
"spacegroup": 2
},
{
"id": "jvasp-34410",
"created_at": "2022-09-04T14:38:08.547384Z",
"updated_at": "2022-09-04T14:38:08.547411Z",
"structure_string": "Na8 Zn8 O12\n1.0\n6.232672 -0.000000 0.000000\n0.000000 6.232672 0.000000\n0.000000 -0.000000 9.415318\nNa Zn O\n8 8 12\ndirect\n0.746394 0.529728 0.644850 Na\n0.970272 0.246394 0.394850 Na\n0.470272 0.253606 0.855150 Na\n0.253606 0.470272 0.144850 Na\n0.029728 0.753605 0.894850 Na\n0.753605 0.029728 0.105150 Na\n0.529728 0.746394 0.355150 Na\n0.246394 0.970272 0.605150 Na\n0.745027 0.541514 0.114840 Zn\n0.958486 0.245027 0.864840 Zn\n0.245027 0.958486 0.135160 Zn\n0.541514 0.745027 0.885160 Zn\n0.458486 0.254973 0.385160 Zn\n0.041514 0.754973 0.364840 Zn\n0.254973 0.458486 0.614840 Zn\n0.754973 0.041514 0.635160 Zn\n0.742624 0.986933 0.844675 O\n0.317921 0.682078 0.750000 O\n0.242624 0.513067 0.405325 O\n0.486933 0.757376 0.094675 O\n0.757376 0.486933 0.905325 O\n0.682078 0.317921 0.250000 O\n0.986933 0.742624 0.155325 O\n0.817921 0.817921 0.500000 O\n0.513067 0.242624 0.594675 O\n0.013067 0.257376 0.655325 O\n0.257376 0.013067 0.344675 O\n0.182079 0.182079 0.000000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Zn",
"O"
],
"chemical_system": "Na-O-Zn",
"density": 4.08238185840092,
"density_atomic": 0.07655516446770344,
"volume": 365.7493285356659,
"volume_molar": 7.866406926133088,
"formula_full": "Na8 Zn8 O12",
"formula_reduced": "Na2Zn2O3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.2083056142857144,
"spacegroup": 96
},
{
"id": "jvasp-101019",
"created_at": "2022-09-04T14:36:43.213336Z",
"updated_at": "2022-09-04T14:36:43.213361Z",
"structure_string": "Sr2 Ac6\n1.0\n8.077240 -0.000000 0.000000\n-4.038620 6.995095 0.000000\n-0.000000 -0.000000 6.472808\nSr Ac\n2 6\ndirect\n0.333333 0.666666 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.164417 0.328835 0.250000 Ac\n0.671165 0.835582 0.250000 Ac\n0.164417 0.835582 0.250000 Ac\n0.835582 0.671165 0.750000 Ac\n0.328835 0.164417 0.750000 Ac\n0.835583 0.164417 0.750000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ac"
],
"chemical_system": "Ac-Sr",
"density": 6.979775351304989,
"density_atomic": 0.021874627073593125,
"volume": 365.72052054124094,
"volume_molar": 27.530255668997803,
"formula_full": "Sr2 Ac6",
"formula_reduced": "SrAc3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5018024999999999,
"spacegroup": 194
},
{
"id": "jvasp-85464",
"created_at": "2022-09-04T14:38:13.130288Z",
"updated_at": "2022-09-04T14:38:13.130314Z",
"structure_string": "Rb3 Cu8 Se6\n1.0\n4.035681 0.000000 0.000000\n-2.017840 8.902850 -2.384798\n0.000000 -0.096760 10.204629\nRb Cu Se\n3 8 6\ndirect\n0.690058 0.380116 0.304850 Rb\n0.309942 0.619884 0.695149 Rb\n0.500000 0.000000 0.000000 Rb\n0.103183 0.206365 0.785728 Cu\n0.303718 0.607436 0.091751 Cu\n0.480492 0.960985 0.361900 Cu\n0.081129 0.162256 0.531603 Cu\n0.519507 0.039015 0.638100 Cu\n0.696282 0.392564 0.908249 Cu\n0.918871 0.837744 0.468397 Cu\n0.896817 0.793634 0.214272 Cu\n0.344159 0.688316 0.355404 Se\n0.838504 0.677007 0.976485 Se\n0.161496 0.322993 0.023515 Se\n0.036637 0.073273 0.289201 Se\n0.655841 0.311684 0.644596 Se\n0.963363 0.926727 0.710799 Se\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Se"
],
"chemical_system": "Cu-Rb-Se",
"density": 5.623639748848648,
"density_atomic": 0.04648472802285179,
"volume": 365.7115083397463,
"volume_molar": 12.955095181022742,
"formula_full": "Rb3 Cu8 Se6",
"formula_reduced": "Rb3(Cu4Se3)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 0.2571024911764706,
"spacegroup": 12
}
]
}