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=nsites&page=3869",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=3867",
"results": [
{
"id": "jvasp-42359",
"created_at": "2022-09-04T14:37:13.882882Z",
"updated_at": "2022-09-04T14:37:13.882900Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.412021 -0.005188 0.017894\n1.675724 5.216328 -0.009855\n2.142788 1.494121 6.587727\nMn O F\n6 8 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.858222 0.797019 0.154166 Mn\n0.500000 0.500000 0.500000 Mn\n0.855583 0.848209 0.672183 Mn\n0.144417 0.151791 0.327817 Mn\n0.141777 0.202980 0.845835 Mn\n0.852044 0.495616 0.830565 O\n0.147955 0.504384 0.169436 O\n0.804862 0.191934 0.500923 O\n0.390405 0.411324 0.795297 O\n0.939231 0.947535 0.869127 O\n0.609594 0.588676 0.204703 O\n0.195138 0.808065 0.499077 O\n0.060768 0.052464 0.130874 O\n0.747633 0.737525 0.467725 F\n0.531578 0.096261 0.182692 F\n0.252367 0.262474 0.532275 F\n0.468421 0.903738 0.817309 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.7649815145267675,
"density_atomic": 0.09679544115327644,
"volume": 185.95917106774522,
"volume_molar": 6.221512798793785,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6760318099042144,
"spacegroup": 2
},
{
"id": "jvasp-12736",
"created_at": "2022-09-04T14:37:07.979997Z",
"updated_at": "2022-09-04T14:37:07.980014Z",
"structure_string": "As4 S2 O12\n1.0\n4.735681 0.000000 0.000000\n0.000000 4.753086 0.000000\n0.000000 0.000000 11.421365\nAs S O\n4 2 12\ndirect\n0.783948 0.810868 0.307885 As\n0.216052 0.810868 0.692114 As\n0.283948 0.189133 0.192115 As\n0.716052 0.189133 0.807885 As\n0.000000 0.799522 0.000000 S\n0.500000 0.200479 0.500000 S\n0.234890 0.995912 0.040722 O\n0.765110 0.995912 0.959278 O\n0.734890 0.004089 0.459278 O\n0.265110 0.004089 0.540722 O\n0.570035 0.867831 0.743321 O\n0.392678 0.368034 0.403145 O\n0.607322 0.368034 0.596854 O\n0.070035 0.132170 0.756678 O\n0.107322 0.631967 0.903145 O\n0.892678 0.631967 0.096854 O\n0.429965 0.867831 0.256678 O\n0.929965 0.132170 0.243321 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"As",
"S",
"O"
],
"chemical_system": "As-O-S",
"density": 3.5900351876563654,
"density_atomic": 0.07001585262281323,
"volume": 257.08463620330275,
"volume_molar": 8.601110369164894,
"formula_full": "As4 S2 O12",
"formula_reduced": "As2SO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.618657166666667,
"spacegroup": 18
},
{
"id": "jvasp-51903",
"created_at": "2022-09-04T14:37:13.903933Z",
"updated_at": "2022-09-04T14:37:13.903955Z",
"structure_string": "Li8 C2 O8\n1.0\n0.000000 4.594971 0.004659\n5.459198 0.000000 0.000000\n0.000000 -4.434724 -6.097340\nLi C O\n8 2 8\ndirect\n0.352982 0.673471 0.958930 Li\n0.551500 0.933047 0.599876 Li\n0.776050 0.530140 0.360775 Li\n0.352982 0.326529 0.458930 Li\n0.928173 0.054682 0.964809 Li\n0.776050 0.469861 0.860775 Li\n0.551500 0.066954 0.099876 Li\n0.928173 0.945318 0.464809 Li\n0.142804 0.198834 0.744896 C\n0.142804 0.801166 0.244896 C\n0.450613 0.801054 0.244646 O\n0.212162 0.668071 0.427465 O\n0.840910 0.716499 0.046290 O\n0.212162 0.331929 0.927465 O\n0.840910 0.283502 0.546290 O\n0.069079 0.051574 0.271001 O\n0.450614 0.198946 0.744646 O\n0.069080 0.948426 0.771001 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"C",
"O"
],
"chemical_system": "C-Li-O",
"density": 2.254908341544023,
"density_atomic": 0.11777167793844893,
"volume": 152.83810433105444,
"volume_molar": 5.113403209850975,
"formula_full": "Li8 C2 O8",
"formula_reduced": "Li4CO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 2.2150082222222225,
"spacegroup": 7
},
{
"id": "jvasp-57499",
"created_at": "2022-09-04T14:37:10.951587Z",
"updated_at": "2022-09-04T14:37:10.951611Z",
"structure_string": "Si6 O12\n1.0\n6.038877 0.136954 0.059612\n0.060363 6.040128 0.059612\n0.135227 0.136954 6.037657\nSi O\n6 12\ndirect\n0.252652 0.504342 0.889573 Si\n0.504343 0.889573 0.252651 Si\n0.495658 0.110426 0.747349 Si\n0.889573 0.252651 0.504343 Si\n0.110427 0.747348 0.495657 Si\n0.747349 0.495657 0.110427 Si\n-0.000000 0.500000 0.500000 O\n0.751449 0.273682 0.272847 O\n0.500001 -0.000001 0.500000 O\n0.727153 0.248550 0.726318 O\n0.500000 -0.000000 -0.000000 O\n0.273683 0.272847 0.751449 O\n-0.000000 0.500000 -0.000000 O\n0.000000 -0.000000 0.500000 O\n0.726318 0.727152 0.248551 O\n0.248551 0.726317 0.727153 O\n0.272847 0.751449 0.273682 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.7200645564130137,
"density_atomic": 0.08178814585840355,
"volume": 220.08079301813078,
"volume_molar": 7.3630973007089375,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4623352,
"spacegroup": 148
},
{
"id": "jvasp-50738",
"created_at": "2022-09-04T14:37:16.820328Z",
"updated_at": "2022-09-04T14:37:16.820344Z",
"structure_string": "Li3 Cu3 C3 O9\n1.0\n0.000000 8.280961 0.000236\n2.959860 0.000000 0.000000\n0.000000 -4.140293 -7.171656\nLi Cu C O\n3 3 3 9\ndirect\n0.670808 0.500000 0.968340 Li\n0.031661 0.500000 0.702468 Li\n0.297533 0.500000 0.329194 Li\n0.978427 0.000000 0.333747 Cu\n0.666249 0.000000 0.644679 Cu\n0.355321 0.000000 0.021570 Cu\n-0.000000 0.000000 0.000000 C\n0.333332 0.000000 0.666667 C\n0.666667 0.500000 0.333333 C\n0.225474 0.000000 0.738300 O\n0.944084 0.000000 0.822815 O\n0.848228 0.500000 0.430214 O\n0.569785 0.500000 0.418012 O\n0.878732 0.000000 0.055917 O\n0.581988 0.500000 0.151773 O\n0.177187 0.000000 0.121268 O\n0.512826 0.000000 0.774526 O\n0.261700 0.000000 0.487174 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Cu",
"C",
"O"
],
"chemical_system": "C-Cu-Li-O",
"density": 3.6983073953281442,
"density_atomic": 0.10240196534655119,
"volume": 175.77787632379875,
"volume_molar": 5.880883965087708,
"formula_full": "Li3 Cu3 C3 O9",
"formula_reduced": "LiCuCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.2676501583333333,
"spacegroup": 174
},
{
"id": "jvasp-12413",
"created_at": "2022-09-04T14:37:10.193869Z",
"updated_at": "2022-09-04T14:37:10.193889Z",
"structure_string": "In6 Ge2 Pt1 O9\n1.0\n6.258993 0.000000 3.613631\n2.086331 5.901035 3.613631\n-0.000000 -0.000000 7.227263\nIn Ge Pt O\n6 2 1 9\ndirect\n0.738941 0.738943 0.261058 In\n0.738941 0.261058 0.738942 In\n0.738941 0.261058 0.261058 In\n0.261058 0.738943 0.738941 In\n0.261058 0.738943 0.261058 In\n0.261058 0.261058 0.738942 In\n0.749999 0.750001 0.749999 Ge\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 O\n0.649292 0.052122 0.649292 O\n0.947877 0.350708 0.350707 O\n0.350707 0.947879 0.350707 O\n0.350707 0.350708 0.947877 O\n0.350707 0.350708 0.350707 O\n0.052122 0.649293 0.649292 O\n0.649292 0.649293 0.649292 O\n0.649292 0.649293 0.052122 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"In",
"Ge",
"Pt",
"O"
],
"chemical_system": "Ge-In-O-Pt",
"density": 7.298595410475905,
"density_atomic": 0.06743199207175699,
"volume": 266.9356109314627,
"volume_molar": 8.930687904921463,
"formula_full": "In6 Ge2 Pt1 O9",
"formula_reduced": "In6Ge2PtO9",
"formula_anonymous": "AB2C6D9",
"energy_above_hull": 1.5195474788888887,
"spacegroup": 225
},
{
"id": "jvasp-42362",
"created_at": "2022-09-04T14:37:10.933762Z",
"updated_at": "2022-09-04T14:37:10.933794Z",
"structure_string": "Co6 O4 F8\n1.0\n0.000000 5.413112 0.030626\n4.469176 0.000000 0.000000\n0.000000 -0.408801 -7.605960\nCo O F\n6 4 8\ndirect\n0.332889 0.457024 0.821117 Co\n0.667110 0.542977 0.178882 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.167111 0.957025 0.178882 Co\n0.832889 0.042976 0.821117 Co\n0.540861 0.199957 0.717577 O\n0.040861 0.300043 0.717577 O\n0.459139 0.800044 0.282422 O\n0.959139 0.699958 0.282422 O\n0.873476 0.212899 0.071567 F\n0.771194 0.764255 0.598954 F\n0.126523 0.787102 0.928432 F\n0.271194 0.735746 0.598954 F\n0.626523 0.712900 0.928432 F\n0.728806 0.264255 0.401046 F\n0.373477 0.287101 0.071568 F\n0.228806 0.235746 0.401046 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 5.141744021065946,
"density_atomic": 0.09785343635699346,
"volume": 183.9485731940119,
"volume_molar": 6.15424555764168,
"formula_full": "Co6 O4 F8",
"formula_reduced": "Co3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.6779612033333335,
"spacegroup": 14
},
{
"id": "jvasp-13139",
"created_at": "2022-09-04T14:37:07.467960Z",
"updated_at": "2022-09-04T14:37:07.467985Z",
"structure_string": "Tl4 Te2 I12\n1.0\n0.000000 7.775139 -0.017100\n8.316333 0.000000 0.000000\n0.000000 -7.649410 -11.349028\nTl Te I\n4 2 12\ndirect\n0.287839 0.908314 0.754204 Tl\n0.712161 0.408315 0.745797 Tl\n0.712161 0.091685 0.245797 Tl\n0.287839 0.591685 0.254204 Tl\n0.000000 0.000000 0.000000 Te\n0.000000 0.500000 0.500000 Te\n0.639949 0.196548 0.955218 I\n0.360052 0.696548 0.544782 I\n0.163253 0.504043 0.755676 I\n0.836747 0.004043 0.744324 I\n0.836747 0.495957 0.244324 I\n0.770229 0.807097 0.461354 I\n0.229772 0.307098 0.038646 I\n0.639949 0.303452 0.455218 I\n0.770229 0.692902 0.961354 I\n0.229772 0.192902 0.538646 I\n0.163253 0.995956 0.255676 I\n0.360051 0.803451 0.044782 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Tl",
"Te",
"I"
],
"chemical_system": "I-Te-Tl",
"density": 5.86465746439356,
"density_atomic": 0.024492352176335587,
"volume": 734.9232883149348,
"volume_molar": 24.587841611303336,
"formula_full": "Tl4 Te2 I12",
"formula_reduced": "Tl2TeI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-85226",
"created_at": "2022-09-04T14:37:16.840998Z",
"updated_at": "2022-09-04T14:37:16.841020Z",
"structure_string": "La1 Fe5 H12\n1.0\n5.783580 0.000000 -0.000000\n-2.891790 5.008727 0.000000\n0.000000 0.000000 4.232602\nLa Fe H\n1 5 12\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.666667 0.333333 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.574275 0.787137 0.734680 H\n0.787137 0.212863 0.734680 H\n0.212863 0.425726 0.734680 H\n0.425725 0.212863 0.734680 H\n0.425725 0.212863 0.265319 H\n0.212863 0.787137 0.265319 H\n0.787137 0.212863 0.265319 H\n0.787137 0.574275 0.265319 H\n0.212863 0.425726 0.265319 H\n0.787137 0.574275 0.734680 H\n0.574275 0.787137 0.265319 H\n0.212863 0.787137 0.734680 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
"La",
"Fe",
"H"
],
"chemical_system": "Fe-H-La",
"density": 5.82658325771068,
"density_atomic": 0.14680503938189202,
"volume": 122.61159477758532,
"volume_molar": 4.102134903103888,
"formula_full": "La1 Fe5 H12",
"formula_reduced": "LaFe5H12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.4825334722222228,
"spacegroup": 191
},
{
"id": "jvasp-10575",
"created_at": "2022-09-04T14:37:19.784930Z",
"updated_at": "2022-09-04T14:37:19.784962Z",
"structure_string": "Sr6 Al4 P8\n1.0\n6.667216 -0.014015 0.085882\n0.074598 8.085080 2.097549\n-0.022967 0.004432 8.353038\nSr Al P\n6 4 8\ndirect\n0.750001 0.598516 0.401485 Sr\n0.039959 0.748299 0.008663 Sr\n0.460041 0.991337 0.251701 Sr\n0.960041 0.251701 0.991337 Sr\n0.539959 0.008663 0.748299 Sr\n0.250000 0.401485 0.598515 Sr\n0.418458 0.418076 0.172261 Al\n0.918458 0.172262 0.418076 Al\n0.581543 0.581924 0.827739 Al\n0.081543 0.827738 0.581924 Al\n0.575590 0.259295 0.420765 P\n0.024160 0.058646 0.705814 P\n0.424411 0.740705 0.579235 P\n0.975840 0.941354 0.294186 P\n0.524161 0.705814 0.058646 P\n0.475840 0.294186 0.941354 P\n0.924411 0.579235 0.740705 P\n0.075590 0.420765 0.259295 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Al",
"P"
],
"chemical_system": "Al-P-Sr",
"density": 3.25088794993665,
"density_atomic": 0.0399792369434518,
"volume": 450.2337056972825,
"volume_molar": 15.06317083669694,
"formula_full": "Sr6 Al4 P8",
"formula_reduced": "Sr3(AlP2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.66004517,
"spacegroup": 15
},
{
"id": "jvasp-34736",
"created_at": "2022-09-04T14:37:11.006495Z",
"updated_at": "2022-09-04T14:37:11.006516Z",
"structure_string": "Ba2 Ag4 Hg4 O8\n1.0\n6.893174 0.000000 0.000000\n0.000000 6.893174 -0.000000\n0.000000 0.000000 7.097046\nBa Ag Hg O\n2 4 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Ag\n0.750000 0.750000 0.500000 Ag\n0.250000 0.250000 0.500000 Ag\n0.500000 0.000000 0.779732 Hg\n0.500000 0.000000 0.220268 Hg\n0.000000 0.500000 0.779732 Hg\n0.000000 0.500000 0.220268 Hg\n0.290612 0.209388 0.210747 O\n0.290612 0.790612 0.789254 O\n0.209388 0.709388 0.210747 O\n0.709388 0.209388 0.789254 O\n0.790612 0.290612 0.210747 O\n0.209388 0.290612 0.789254 O\n0.709388 0.790612 0.210747 O\n0.790612 0.709388 0.789254 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Hg",
"O"
],
"chemical_system": "Ag-Ba-Hg-O",
"density": 8.05831477009764,
"density_atomic": 0.05337727547949422,
"volume": 337.2221575249753,
"volume_molar": 11.282218333368302,
"formula_full": "Ba2 Ag4 Hg4 O8",
"formula_reduced": "BaAg2(HgO2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.6238148544444442,
"spacegroup": 125
},
{
"id": "jvasp-85235",
"created_at": "2022-09-04T14:37:10.293965Z",
"updated_at": "2022-09-04T14:37:10.293977Z",
"structure_string": "Li4 U2 I12\n1.0\n7.364740 -0.000000 0.000000\n-3.682370 6.378052 -0.000000\n0.000000 0.000000 13.816631\nLi U I\n4 2 12\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.666667 0.333333 0.750000 U\n0.333333 0.666667 0.250000 U\n-0.001804 0.331415 0.124762 I\n0.001803 0.668584 0.875238 I\n0.668584 0.666781 0.124762 I\n0.331415 0.333219 0.875238 I\n-0.001804 0.666781 0.375238 I\n0.666781 0.668584 0.624762 I\n0.666781 -0.001804 0.875238 I\n0.668585 0.001804 0.375238 I\n0.001803 0.333219 0.624762 I\n0.333219 0.001804 0.124762 I\n0.333219 0.331415 0.375238 I\n0.331415 -0.001804 0.624762 I\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"U",
"I"
],
"chemical_system": "I-Li-U",
"density": 5.185440700851924,
"density_atomic": 0.0277347893012524,
"volume": 649.0043895587548,
"volume_molar": 21.713309932114974,
"formula_full": "Li4 U2 I12",
"formula_reduced": "Li2UI6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.5976292944444446,
"spacegroup": 163
}
]
}