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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=292",
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"results": [
{
"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": [
"Li",
"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
},
{
"id": "jvasp-45848",
"created_at": "2022-09-04T14:38:03.214349Z",
"updated_at": "2022-09-04T14:38:03.214382Z",
"structure_string": "Li1 Co2 Cu1 O6\n1.0\n5.917758 -2.905509 -0.130549\n-0.000000 -1.465869 2.396597\n-3.231746 -3.926551 -2.401661\nLi Co Cu O\n1 2 1 6\ndirect\n0.637538 0.681231 0.137496 Li\n-0.001664 0.000832 0.000746 Co\n0.689804 0.655098 0.648679 Co\n0.318714 0.340644 0.366269 Cu\n0.967240 0.516380 0.202628 O\n0.392009 0.803995 0.590244 O\n0.697883 0.151059 0.881724 O\n0.292036 0.853983 0.132020 O\n0.684895 0.157553 0.433327 O\n0.988211 0.505895 0.773537 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.738608689775288,
"density_atomic": 0.10035726963697629,
"volume": 99.64400223494656,
"volume_molar": 6.0007020734860275,
"formula_full": "Li1 Co2 Cu1 O6",
"formula_reduced": "LiCo2CuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4423623250000004,
"spacegroup": 8
},
{
"id": "jvasp-34018",
"created_at": "2022-09-04T14:38:03.254967Z",
"updated_at": "2022-09-04T14:38:03.254993Z",
"structure_string": "Te7 Mo6 S5\n1.0\n3.405706 -0.199583 0.000487\n-0.002172 -0.066560 -13.938392\n-1.191818 8.826107 0.035630\nTe Mo S\n7 6 5\ndirect\n0.914707 0.897288 0.829451 Te\n0.245525 0.625548 0.491123 Te\n0.236927 0.891062 0.473888 Te\n0.754032 0.377537 0.508004 Te\n0.089771 0.098261 0.179505 Te\n0.569190 0.611192 0.138468 Te\n0.430984 0.383505 0.861865 Te\n0.126500 0.749643 0.253052 Mo\n0.869815 0.247492 0.739556 Mo\n0.464033 0.755590 0.928119 Mo\n0.202954 0.237488 0.405887 Mo\n0.800648 0.761067 0.601332 Mo\n0.535974 0.238171 0.071901 Mo\n0.092778 0.340588 0.185484 S\n0.907471 0.653333 0.815012 S\n0.420771 0.140890 0.841472 S\n0.576154 0.854898 0.152346 S\n0.761779 0.136445 0.523542 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.508546705369773,
"density_atomic": 0.0433054306650149,
"volume": 415.6522570861219,
"volume_molar": 13.906202218801852,
"formula_full": "Te7 Mo6 S5",
"formula_reduced": "Te7Mo6S5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 3.587861653703704,
"spacegroup": 8
},
{
"id": "jvasp-45788",
"created_at": "2022-09-04T14:38:04.615925Z",
"updated_at": "2022-09-04T14:38:04.615948Z",
"structure_string": "Li1 V1 P2 O8\n1.0\n4.010601 2.580875 -0.366924\n0.000000 5.161751 0.000000\n-0.646220 0.000000 7.406714\nLi V P O\n1 1 2 8\ndirect\n0.568830 0.965585 0.412695 Li\n0.480744 0.009628 0.997247 V\n0.124378 0.687812 0.789985 P\n0.855669 0.322166 0.223815 P\n0.094436 0.202781 0.401475 O\n0.064793 0.217602 0.060521 O\n0.367152 0.327268 0.828287 O\n0.367152 0.805581 0.828287 O\n0.624214 0.193004 0.194266 O\n0.624214 0.682782 0.194266 O\n0.915884 0.792059 0.948242 O\n0.920888 0.789557 0.604290 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.705472022994968,
"density_atomic": 0.0788914046151238,
"volume": 152.1078254157431,
"volume_molar": 7.633456127925921,
"formula_full": "Li1 V1 P2 O8",
"formula_reduced": "LiV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.888666933333333,
"spacegroup": 8
},
{
"id": "jvasp-36991",
"created_at": "2022-09-04T14:38:05.135069Z",
"updated_at": "2022-09-04T14:38:05.135094Z",
"structure_string": "K1 Ca1 Br3\n1.0\n5.663488 -0.023008 -0.014217\n-0.005135 5.639005 -0.004383\n-0.012470 0.006875 5.639065\nK Ca Br\n1 1 3\ndirect\n0.929543 0.012628 0.010208 K\n0.520170 0.500574 0.498650 Ca\n0.542891 0.502735 -0.001698 Br\n0.024317 0.493837 0.491973 Br\n0.543080 0.000223 0.500870 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"Ca",
"Br"
],
"chemical_system": "Br-Ca-K",
"density": 2.940341174935166,
"density_atomic": 0.027763872873358113,
"volume": 180.09014890706914,
"volume_molar": 21.690564524154613,
"formula_full": "K1 Ca1 Br3",
"formula_reduced": "KCaBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0167700000000001,
"spacegroup": 8
},
{
"id": "jvasp-45894",
"created_at": "2022-09-04T14:38:05.740173Z",
"updated_at": "2022-09-04T14:38:05.740205Z",
"structure_string": "Ti3 Mn2 Co3 O16\n1.0\n5.718631 -0.007829 0.011762\n2.803987 4.984119 0.001465\n0.191652 0.129763 8.723207\nTi Mn Co O\n3 2 3 16\ndirect\n0.329309 0.828408 0.211234 Ti\n0.828330 0.329317 0.211253 Ti\n0.157417 0.157428 0.715142 Ti\n0.671506 0.671523 0.489307 Mn\n0.334452 0.334479 0.982403 Mn\n0.830739 0.830718 0.207714 Co\n0.167096 0.658861 0.705256 Co\n0.658848 0.167106 0.705259 Co\n0.171773 0.657693 0.097729 O\n0.340634 0.340650 0.597776 O\n0.482350 0.045123 0.843305 O\n0.045108 0.482372 0.843301 O\n0.833624 0.833643 0.604424 O\n0.174757 0.174809 0.101626 O\n0.955733 0.535265 0.343077 O\n0.993724 0.993728 0.322982 O\n0.829583 0.345158 0.599651 O\n0.986954 0.986955 0.817921 O\n0.476475 0.476484 0.829527 O\n0.670385 0.670385 0.095350 O\n0.522929 0.522974 0.351032 O\n0.345133 0.829607 0.599646 O\n0.535263 0.955745 0.343072 O\n0.657682 0.171762 0.097725 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O-Ti",
"density": 4.579997949258156,
"density_atomic": 0.09645711418858495,
"volume": 248.8152398285231,
"volume_molar": 6.243334989502185,
"formula_full": "Ti3 Mn2 Co3 O16",
"formula_reduced": "Ti3Mn2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.552537424281609,
"spacegroup": 8
},
{
"id": "jvasp-109400",
"created_at": "2022-09-04T14:38:06.002414Z",
"updated_at": "2022-09-04T14:38:06.002442Z",
"structure_string": "Hg2 I3 Br1\n1.0\n4.373231 0.233114 0.059225\n1.754292 4.012724 0.059225\n-0.105751 -0.073276 13.355876\nHg I Br\n2 3 1\ndirect\n0.655013 0.655011 0.659497 Hg\n0.346302 0.346301 0.174422 Hg\n0.389109 0.389107 0.522262 I\n0.609683 0.609682 0.036040 I\n0.911151 0.911148 0.802810 I\n0.088744 0.088743 0.300253 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hg",
"I",
"Br"
],
"chemical_system": "Br-Hg-I",
"density": 6.250492996165515,
"density_atomic": 0.026206633869074347,
"volume": 228.94966327897677,
"volume_molar": 22.979451653676687,
"formula_full": "Hg2 I3 Br1",
"formula_reduced": "Hg2I3Br",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-108160",
"created_at": "2022-09-04T14:38:06.651532Z",
"updated_at": "2022-09-04T14:38:06.651553Z",
"structure_string": "Ba2 Al1 In3\n1.0\n4.995004 -0.000968 4.224625\n2.271702 4.448532 4.224625\n0.002943 0.001801 8.527641\nBa Al In\n2 1 3\ndirect\n0.747072 0.747073 0.803463 Ba\n0.250335 0.250335 0.197055 Ba\n0.571136 0.571136 0.591055 Al\n0.439861 0.439861 0.408821 In\n0.066960 0.066960 0.763346 In\n0.924631 0.924631 0.236268 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Al",
"In"
],
"chemical_system": "Al-Ba-In",
"density": 5.663588104139007,
"density_atomic": 0.031673868165838705,
"volume": 189.43060470495976,
"volume_molar": 19.01296276308643,
"formula_full": "Ba2 Al1 In3",
"formula_reduced": "Ba2AlIn3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-48230",
"created_at": "2022-09-04T14:38:06.735740Z",
"updated_at": "2022-09-04T14:38:06.735753Z",
"structure_string": "Li4 Cr3 Co3 Ni2 O16\n1.0\n5.637329 -0.018828 -0.064784\n-2.789239 -4.899075 0.064317\n0.105433 0.062074 -9.283759\nLi Cr Co Ni O\n4 3 3 2 16\ndirect\n0.330680 0.669300 0.891559 Li\n0.008782 0.991193 0.996490 Li\n0.012295 0.987665 0.495868 Li\n0.658863 0.341127 0.398108 Li\n0.166121 0.347346 0.210755 Cr\n0.652638 0.833870 0.210755 Cr\n0.833644 0.166330 0.707021 Cr\n0.345894 0.165528 0.715080 Co\n0.834444 0.654080 0.715079 Co\n0.170192 0.829796 0.212282 Co\n0.331870 0.668108 0.490650 Ni\n0.665380 0.334602 0.984717 Ni\n0.835592 0.164393 0.103203 O\n0.328840 0.167819 0.103340 O\n0.669919 0.330053 0.602707 O\n0.959018 0.477578 0.841075 O\n0.522401 0.040959 0.841076 O\n0.167338 0.832633 0.604313 O\n0.474941 0.970064 0.337010 O\n0.474007 0.525985 0.341189 O\n0.678292 0.836023 0.607501 O\n0.003593 0.996384 0.809984 O\n-0.004200 0.004191 0.308112 O\n0.333537 0.666445 0.096439 O\n0.519586 0.480389 0.835658 O\n0.163943 0.321669 0.607502 O\n0.029931 0.525054 0.337014 O\n0.832163 0.671143 0.103340 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Cr-Li-Ni-O",
"density": 4.74507097088571,
"density_atomic": 0.10901783361762848,
"volume": 256.8387122625075,
"volume_molar": 5.523995992364138,
"formula_full": "Li4 Cr3 Co3 Ni2 O16",
"formula_reduced": "Li4Cr3Co3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.040720560714285,
"spacegroup": 8
}
]
}