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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4337",
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"results": [
{
"id": "jvasp-33930",
"created_at": "2022-09-04T14:37:56.683044Z",
"updated_at": "2022-09-04T14:37:56.683065Z",
"structure_string": "Te7 Mo6 S5\n1.0\n-1.872391 -2.846867 0.000196\n6.369880 -6.228934 -0.058853\n-1.582292 3.081118 14.153797\nTe Mo S\n7 6 5\ndirect\n0.497790 0.108880 0.104499 Te\n0.173420 0.550818 0.897616 Te\n0.921414 0.537160 0.379987 Te\n0.826654 0.464301 0.117638 Te\n0.244237 0.896547 0.385052 Te\n0.423874 0.772803 0.620526 Te\n0.744643 0.128424 0.617712 Te\n0.314966 0.621759 0.251718 Mo\n0.685775 0.389517 0.761027 Mo\n0.649206 0.948078 0.246548 Mo\n0.018371 0.722250 0.758942 Mo\n0.986082 0.269302 0.241504 Mo\n0.349042 0.052453 0.750509 Mo\n0.173036 0.799992 0.146131 S\n0.570654 0.204787 0.346115 S\n0.831752 0.193495 0.856969 S\n0.491509 0.875606 0.858568 S\n0.097568 0.463831 0.658942 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.4237234207534915,
"density_atomic": 0.042741048317155486,
"volume": 421.1408168192993,
"volume_molar": 14.089829325928866,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.588079431481481,
"spacegroup": 8
},
{
"id": "jvasp-48193",
"created_at": "2022-09-04T14:37:56.696911Z",
"updated_at": "2022-09-04T14:37:56.696922Z",
"structure_string": "Li4 Ti3 Co3 Ni2 O16\n1.0\n5.696647 -0.015190 0.056707\n2.788546 4.967183 0.059999\n0.129287 0.065771 9.388334\nLi Ti Co Ni O\n4 3 3 2 16\ndirect\n0.324579 0.324669 0.892056 Li\n0.022906 0.022672 0.994469 Li\n0.016709 0.016181 0.496181 Li\n0.656086 0.656313 0.401854 Li\n0.660322 0.162469 0.212488 Ti\n0.161970 0.660351 0.212467 Ti\n0.832526 0.832619 0.709980 Ti\n0.828471 0.341361 0.713361 Co\n0.341518 0.828288 0.713365 Co\n0.174748 0.174680 0.212958 Co\n0.332012 0.331958 0.489640 Ni\n0.664404 0.664441 0.981674 Ni\n0.838102 0.838209 0.099550 O\n0.836721 0.336390 0.103026 O\n0.664584 0.664323 0.604333 O\n0.511786 0.953363 0.842546 O\n0.953336 0.511829 0.842536 O\n0.166935 0.166712 0.608289 O\n0.030685 0.471836 0.342285 O\n0.473861 0.474102 0.343705 O\n0.166005 0.675835 0.599582 O\n0.003179 0.003122 0.811460 O\n0.002832 0.002947 0.311110 O\n0.338682 0.338604 0.096492 O\n0.513145 0.513088 0.827508 O\n0.676138 0.165782 0.599541 O\n0.471675 0.030942 0.342325 O\n0.336409 0.836607 0.103062 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O-Ti",
"density": 4.504248237538479,
"density_atomic": 0.10526155094216073,
"volume": 266.0040608311527,
"volume_molar": 5.721121060917158,
"formula_full": "Li4 Ti3 Co3 Ni2 O16",
"formula_reduced": "Li4Ti3Co3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.896185660714285,
"spacegroup": 8
},
{
"id": "jvasp-40657",
"created_at": "2022-09-04T14:37:57.820130Z",
"updated_at": "2022-09-04T14:37:57.820159Z",
"structure_string": "Li4 Mn2 Nb3 Cr3 O16\n1.0\n5.953223 -0.030623 0.043563\n-3.003128 5.201626 -0.000072\n0.074191 0.042702 9.844913\nLi Mn Nb Cr O\n4 2 3 3 16\ndirect\n0.315249 0.657646 0.901668 Li\n0.038764 0.019386 0.000722 Li\n0.021885 0.010945 0.492056 Li\n0.671912 0.335966 0.385987 Li\n0.316726 0.658373 0.485479 Mn\n0.670830 0.335415 0.006383 Mn\n0.664896 0.832455 0.213347 Nb\n0.812503 0.654305 0.714788 Nb\n0.812503 0.158229 0.714783 Nb\n0.326511 0.163268 0.713011 Cr\n0.179782 0.837350 0.215625 Cr\n0.179785 0.342448 0.215626 Cr\n0.333351 0.166676 0.108438 O\n0.855962 0.691063 0.101625 O\n0.650056 0.325039 0.596010 O\n0.496621 0.021038 0.832304 O\n0.496612 0.475627 0.832299 O\n0.667233 0.833627 0.593681 O\n0.492134 0.518073 0.334610 O\n0.044046 0.522038 0.329900 O\n0.150485 0.313564 0.603604 O\n-0.004011 -0.001984 0.820947 O\n0.013519 0.006775 0.312679 O\n0.339898 0.669950 0.102031 O\n0.954170 0.477105 0.840390 O\n0.150487 0.836940 0.603604 O\n0.492129 0.974083 0.334612 O\n0.855958 0.164907 0.101628 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-Nb-O",
"density": 4.525610387201982,
"density_atomic": 0.0921252221312466,
"volume": 303.93413825488176,
"volume_molar": 6.5369077226435675,
"formula_full": "Li4 Mn2 Nb3 Cr3 O16",
"formula_reduced": "Li4Mn2Nb3Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.616238245812808,
"spacegroup": 8
},
{
"id": "jvasp-40688",
"created_at": "2022-09-04T14:37:59.063689Z",
"updated_at": "2022-09-04T14:37:59.063735Z",
"structure_string": "Li3 Mn1 V3 O8\n1.0\n3.997977 -0.000100 0.000179\n-1.998907 5.977154 0.004453\n-0.000463 -1.905868 6.275021\nLi Mn V O\n3 1 3 8\ndirect\n0.937199 0.874394 0.638332 Li\n0.831153 0.662313 0.995266 Li\n0.061549 0.123093 0.363652 Li\n0.281929 0.563860 0.695892 Mn\n0.705161 0.410319 0.288205 V\n0.390111 0.780227 0.298242 V\n0.606848 0.213688 0.711817 V\n0.357359 0.714723 0.015023 O\n0.879981 0.759969 0.311311 O\n0.438393 0.876792 0.633977 O\n0.772361 0.544724 0.669172 O\n0.226997 0.453989 0.332750 O\n0.559993 0.119977 0.365605 O\n0.654671 0.309339 -0.000399 O\n0.109186 0.218367 0.675479 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.9478483567262317,
"density_atomic": 0.10001030136199315,
"volume": 149.9845495486172,
"volume_molar": 6.021520461379781,
"formula_full": "Li3 Mn1 V3 O8",
"formula_reduced": "Li3MnV3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.049763856091954,
"spacegroup": 8
},
{
"id": "jvasp-38739",
"created_at": "2022-09-04T14:37:59.239287Z",
"updated_at": "2022-09-04T14:37:59.239310Z",
"structure_string": "Mg1 Rh5\n1.0\n2.752527 0.000000 0.000000\n-1.376263 2.324287 4.352940\n0.000000 -4.830551 4.450914\nMg Rh\n1 5\ndirect\n0.385891 0.771780 0.721380 Mg\n0.004881 0.009762 0.003207 Rh\n0.725480 0.450959 0.053758 Rh\n0.332678 0.665355 0.331102 Rh\n0.057548 0.115094 0.387008 Rh\n0.660193 0.320385 0.670208 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 10.3615548410516,
"density_atomic": 0.06948215829613377,
"volume": 86.35310340286105,
"volume_molar": 8.667175729247738,
"formula_full": "Mg1 Rh5",
"formula_reduced": "MgRh5",
"formula_anonymous": "AB5",
"energy_above_hull": 2.4950540083333337,
"spacegroup": 8
},
{
"id": "jvasp-40708",
"created_at": "2022-09-04T14:37:59.471766Z",
"updated_at": "2022-09-04T14:37:59.471787Z",
"structure_string": "Li4 Mn2 O2 F6\n1.0\n-3.769519 4.221466 0.156608\n3.769519 0.156608 4.221466\n3.884179 4.334590 0.043484\nLi Mn O F\n4 2 2 6\ndirect\n0.481766 0.991767 0.496879 Li\n0.483839 0.493778 0.522385 Li\n0.897239 0.749774 0.852989 Li\n0.011354 0.521356 0.496879 Li\n0.514661 0.980935 0.004407 Mn\n0.044067 0.273985 0.181949 Mn\n0.714469 0.958397 0.236159 O\n0.305445 0.549372 0.236159 O\n0.791354 0.031226 0.677420 F\n0.813005 0.460839 0.226156 F\n0.712231 0.442363 0.762487 F\n0.295149 0.025282 0.762487 F\n0.210664 0.999626 0.289712 F\n0.224762 0.521303 0.753936 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.3655451291873293,
"density_atomic": 0.10004220365228615,
"volume": 139.94093981235562,
"volume_molar": 6.019600268833525,
"formula_full": "Li4 Mn2 O2 F6",
"formula_reduced": "Li2MnOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.8605659412684727,
"spacegroup": 8
},
{
"id": "jvasp-36982",
"created_at": "2022-09-04T14:37:59.768474Z",
"updated_at": "2022-09-04T14:37:59.768492Z",
"structure_string": "Tl1 Ge1 F3\n1.0\n4.560003 0.161336 -0.197225\n0.131518 4.566602 0.084355\n-0.549772 -0.891960 4.561958\nTl Ge F\n1 1 3\ndirect\n0.052722 0.054961 0.952560 Tl\n0.501728 0.501267 0.487071 Ge\n0.931502 0.489277 0.548367 F\n0.529649 0.533446 0.903554 F\n0.484400 0.931046 0.548442 F\n",
"nsites": 5,
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"elements": [
"Tl",
"Ge",
"F"
],
"chemical_system": "F-Ge-Tl",
"density": 5.852985629737641,
"density_atomic": 0.05276279955701906,
"volume": 94.76373585136741,
"volume_molar": 11.413611124807861,
"formula_full": "Tl1 Ge1 F3",
"formula_reduced": "TlGeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0049139999999999,
"spacegroup": 8
},
{
"id": "jvasp-46671",
"created_at": "2022-09-04T14:37:59.787967Z",
"updated_at": "2022-09-04T14:37:59.787997Z",
"structure_string": "Li3 Ti1 V3 O8\n1.0\n-4.028251 -0.001341 0.001041\n2.012124 6.056241 0.006530\n-0.001026 -1.967358 -6.224095\nLi Ti V O\n3 1 3 8\ndirect\n0.059570 0.115516 0.358081 Li\n0.824731 0.645851 0.996423 Li\n0.943319 0.883027 0.641554 Li\n0.707031 0.410459 0.288587 Ti\n0.607615 0.211616 0.693080 V\n0.290085 0.576570 0.702028 V\n0.389781 0.775933 0.299296 V\n0.659552 0.315498 0.004813 O\n0.561066 0.118496 0.355807 O\n0.116727 0.229841 0.674393 O\n0.777102 0.550598 0.671142 O\n0.226792 0.449970 0.349941 O\n0.882987 0.762344 0.315262 O\n0.437917 0.872224 0.632453 O\n0.347428 0.691248 0.998936 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.8240213682110733,
"density_atomic": 0.09883328684399803,
"volume": 151.7707290629374,
"volume_molar": 6.093231291098879,
"formula_full": "Li3 Ti1 V3 O8",
"formula_reduced": "Li3TiV3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.999754595555556,
"spacegroup": 8
},
{
"id": "jvasp-40649",
"created_at": "2022-09-04T14:38:00.990256Z",
"updated_at": "2022-09-04T14:38:00.990283Z",
"structure_string": "Li4 Mn3 Co2 Ni3 O16\n1.0\n-5.694845 -0.000324 0.000061\n2.847107 4.895283 -0.037695\n-0.000079 -0.178659 -9.158331\nLi Mn Co Ni O\n4 3 2 3 16\ndirect\n0.669951 0.339923 0.896114 Li\n0.998798 0.997616 0.995031 Li\n0.995223 0.990468 0.497176 Li\n0.332732 0.665482 0.398398 Li\n0.339090 0.169725 0.213506 Mn\n0.830616 0.169726 0.213506 Mn\n0.169207 0.338435 0.713245 Mn\n0.665572 0.331166 0.487192 Co\n0.336710 0.673443 0.983068 Co\n0.659377 0.829147 0.712623 Ni\n0.830638 0.661296 0.212354 Ni\n0.169749 0.829146 0.712622 Ni\n0.167623 0.335264 0.102155 O\n0.175961 0.846179 0.095145 O\n0.332871 0.665759 0.608718 O\n0.476455 0.518436 0.842623 O\n0.041959 0.518434 0.842623 O\n0.831913 0.663847 0.593580 O\n0.957825 0.472332 0.345799 O\n0.518175 0.036374 0.339072 O\n0.838788 0.168384 0.597651 O\n-0.001631 -0.003241 0.805842 O\n-0.000508 -0.000990 0.308112 O\n0.666811 0.333637 0.107162 O\n0.481546 0.963113 0.845918 O\n0.329576 0.168384 0.597650 O\n0.514487 0.472330 0.345800 O\n0.670193 0.846180 0.095146 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Mn",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Mn-Ni-O",
"density": 4.828670189965616,
"density_atomic": 0.10965569006743968,
"volume": 255.34470653351082,
"volume_molar": 5.491863446663193,
"formula_full": "Li4 Mn3 Co2 Ni3 O16",
"formula_reduced": "Li4Mn3Co2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.864779525862069,
"spacegroup": 8
},
{
"id": "jvasp-29840",
"created_at": "2022-09-04T14:38:01.028600Z",
"updated_at": "2022-09-04T14:38:01.028631Z",
"structure_string": "Al2 H6 O6\n1.0\n5.119133 0.120781 -0.010103\n-2.454968 4.252128 0.020206\n-0.008994 0.015579 4.674549\nAl H O\n2 6 6\ndirect\n0.325978 0.683803 0.001824 Al\n0.674021 0.357825 0.001824 Al\n0.779998 0.967601 0.722148 H\n0.220003 0.187602 0.722147 H\n0.000000 0.603593 0.580594 H\n0.446988 0.019171 0.415886 H\n0.553012 0.572184 0.415887 H\n0.000000 0.179002 0.246834 H\n0.618187 0.012941 0.766037 O\n0.381814 0.394755 0.766037 O\n0.000001 0.671989 0.778928 O\n0.370699 0.023644 0.221592 O\n0.629301 0.652945 0.221592 O\n0.000000 0.377681 0.217949 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 2.5117816811428058,
"density_atomic": 0.13574267870929058,
"volume": 103.13631742882207,
"volume_molar": 4.436438721602912,
"formula_full": "Al2 H6 O6",
"formula_reduced": "Al(HO)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.449410471428572,
"spacegroup": 8
},
{
"id": "jvasp-36962",
"created_at": "2022-09-04T14:38:01.680169Z",
"updated_at": "2022-09-04T14:38:01.680198Z",
"structure_string": "K1 Ca1 Cl3\n1.0\n5.359805 0.010379 -0.007582\n0.012134 5.338490 -0.000614\n-0.006412 0.001449 5.338377\nK Ca Cl\n1 1 3\ndirect\n0.057777 0.011022 0.994539 K\n0.483349 0.501141 0.500523 Ca\n0.459881 0.501526 0.000753 Cl\n0.979448 0.495549 0.503857 Cl\n0.459540 0.000767 0.500331 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl-K",
"density": 2.0169801336352755,
"density_atomic": 0.03273376624036726,
"volume": 152.7474707091298,
"volume_molar": 18.397335386887136,
"formula_full": "K1 Ca1 Cl3",
"formula_reduced": "KCaCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0069359999999999,
"spacegroup": 8
},
{
"id": "jvasp-9285",
"created_at": "2022-09-04T14:38:01.953772Z",
"updated_at": "2022-09-04T14:38:01.953792Z",
"structure_string": "Zn1 Sb4 O8\n1.0\n3.235247 -0.296195 -0.466619\n0.695115 7.036696 0.324141\n-0.069515 3.604140 8.721214\nZn Sb O\n1 4 8\ndirect\n0.483883 0.910386 0.816251 Zn\n0.326057 0.741472 0.500114 Sb\n0.007719 0.318138 0.865000 Sb\n0.133468 0.615032 0.116015 Sb\n0.798229 0.197422 0.445737 Sb\n0.211105 0.311684 0.271051 O\n0.691115 0.659569 0.231900 O\n0.454839 0.250613 0.758463 O\n0.917624 0.608666 0.684359 O\n0.765556 -0.039620 0.379453 O\n0.045610 0.903547 0.940320 O\n0.372046 0.966182 0.593413 O\n0.570325 0.566280 -0.010874 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"O"
],
"chemical_system": "O-Sb-Zn",
"density": 5.7893986258822245,
"density_atomic": 0.06660934943485494,
"volume": 195.16779716808702,
"volume_molar": 9.04098420281038,
"formula_full": "Zn1 Sb4 O8",
"formula_reduced": "Zn(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.175180984615385,
"spacegroup": 8
}
]
}