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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4417",
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"results": [
{
"id": "jvasp-121237",
"created_at": "2022-09-04T14:38:55.308887Z",
"updated_at": "2022-09-04T14:38:55.308915Z",
"structure_string": "Al1 P3\n1.0\n6.168400 0.537795 0.556670\n0.322790 -3.804113 -0.481744\n1.733054 3.380247 -2.751629\nAl P\n1 3\ndirect\n0.909636 0.059599 0.940550 Al\n0.409472 0.562300 0.914114 P\n0.162601 0.375721 0.259673 P\n0.656689 0.745005 0.197817 P\n",
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{
"id": "jvasp-123705",
"created_at": "2022-09-04T14:38:54.929742Z",
"updated_at": "2022-09-04T14:38:54.929758Z",
"structure_string": "Se2 S1\n1.0\n1.981158 -3.665717 0.038563\n2.184027 3.782843 0.000000\n0.046135 -0.026636 4.935589\nSe S\n2 1\ndirect\n0.758161 0.772334 0.493257 Se\n0.241840 0.014173 0.840075 Se\n0.000000 0.213491 0.166667 S\n",
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"formula_full": "Se2 S1",
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{
"id": "jvasp-120957",
"created_at": "2022-09-04T14:38:54.850084Z",
"updated_at": "2022-09-04T14:38:54.850124Z",
"structure_string": "Ca1 Te3\n1.0\n5.454371 -0.617117 -0.585761\n1.344454 -4.241481 0.015458\n0.870753 0.247616 -6.497921\nCa Te\n1 3\ndirect\n0.124463 0.933357 0.766809 Ca\n0.791894 0.601939 0.571427 Te\n0.124406 0.010066 0.266751 Te\n0.456645 0.268231 0.962841 Te\n",
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"elements": [
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"Te"
],
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"density": 4.926095568008081,
"density_atomic": 0.028060708684782495,
"volume": 142.54807478077794,
"volume_molar": 21.461114284921273,
"formula_full": "Ca1 Te3",
"formula_reduced": "CaTe3",
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{
"id": "jvasp-121964",
"created_at": "2022-09-04T14:38:54.089980Z",
"updated_at": "2022-09-04T14:38:54.090006Z",
"structure_string": "Ba1 Mn2 P2 O9\n1.0\n5.088396 0.022610 0.472033\n2.675231 4.328443 0.472033\n-0.168567 -0.094472 8.515679\nBa Mn P O\n1 2 2 9\ndirect\n0.906743 0.093257 -0.000000 Ba\n0.256858 0.450763 0.616998 Mn\n0.549237 0.743141 0.383002 Mn\n0.226794 0.444327 0.254087 P\n0.555673 0.773206 0.745912 P\n0.581875 0.418125 0.500000 O\n0.039404 0.533009 0.417486 O\n0.466991 0.960595 0.582514 O\n0.359777 0.658427 0.215473 O\n0.341573 0.640223 0.784526 O\n0.999680 0.511523 0.128724 O\n0.488476 0.000322 0.871276 O\n0.897357 0.498434 0.741251 O\n0.501567 0.102643 0.258748 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"P",
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],
"chemical_system": "Ba-Mn-O-P",
"density": 4.013329593707822,
"density_atomic": 0.07467003730311512,
"volume": 187.49153617224644,
"volume_molar": 8.065003015270714,
"formula_full": "Ba1 Mn2 P2 O9",
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"formula_anonymous": "AB2C2D9",
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"spacegroup": 5
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{
"id": "jvasp-122457",
"created_at": "2022-09-04T14:38:54.109747Z",
"updated_at": "2022-09-04T14:38:54.109787Z",
"structure_string": "V3 P4 S12\n1.0\n5.937289 -0.007675 0.443153\n-3.062353 5.086595 0.443153\n0.070821 0.125113 12.672518\nV P S\n3 4 12\ndirect\n0.831005 0.168993 0.500000 V\n0.671771 0.328229 -0.000000 V\n0.173737 0.826264 0.500000 V\n0.966446 0.972509 0.087125 P\n0.471255 0.466912 0.587723 P\n0.533088 0.528745 0.412277 P\n0.027491 0.033554 0.912875 P\n0.113425 0.108752 0.621158 S\n0.633061 0.611123 0.126952 S\n0.007534 0.696446 0.873460 S\n0.545210 0.197345 0.376008 S\n0.719023 0.073890 0.873733 S\n0.926108 0.280976 0.126266 S\n0.459016 0.797302 0.625169 S\n0.891248 0.886574 0.378842 S\n0.802654 0.454790 0.623992 S\n0.303554 -0.007534 0.126540 S\n0.202699 0.540985 0.374831 S\n0.388877 0.366939 0.873048 S\n",
"nsites": 19,
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"elements": [
"V",
"P",
"S"
],
"chemical_system": "P-S-V",
"density": 2.877314818601998,
"density_atomic": 0.04976939186577037,
"volume": 381.7607426517005,
"volume_molar": 12.100089099424611,
"formula_full": "V3 P4 S12",
"formula_reduced": "V3(PS3)4",
"formula_anonymous": "A3B4C12",
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{
"id": "jvasp-121345",
"created_at": "2022-09-04T14:38:53.899592Z",
"updated_at": "2022-09-04T14:38:53.899620Z",
"structure_string": "Li7 Sn4 O12\n1.0\n5.350724 0.000536 0.480929\n-2.748946 4.590593 0.480929\n0.004331 0.007643 9.999537\nLi Sn O\n7 4 12\ndirect\n0.842070 0.695966 0.252543 Li\n0.304033 0.157928 0.747458 Li\n0.146769 0.296503 0.255025 Li\n0.703495 0.853230 0.744976 Li\n0.915052 0.084948 0.000000 Li\n0.008428 0.537225 0.736121 Li\n0.462772 0.991571 0.263880 Li\n0.419329 0.580670 0.500000 Sn\n0.585490 0.414509 0.000000 Sn\n0.751611 0.248389 0.500000 Sn\n0.252304 0.747695 0.000000 Sn\n0.042144 0.247576 0.627143 O\n0.752422 0.957855 0.372857 O\n0.606463 0.118794 0.884618 O\n0.881205 0.393536 0.115383 O\n0.417744 0.872237 0.624925 O\n0.499928 0.329500 0.374679 O\n0.305429 0.465350 0.884406 O\n0.534648 0.694570 0.115595 O\n0.670499 0.500071 0.625321 O\n0.226363 0.038980 0.122260 O\n0.127762 0.582255 0.375076 O\n0.961019 0.773637 0.877741 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.837180785684962,
"density_atomic": 0.09365050036491399,
"volume": 245.59398946486476,
"volume_molar": 6.430441627684229,
"formula_full": "Li7 Sn4 O12",
"formula_reduced": "Li7(SnO3)4",
"formula_anonymous": "A4B7C12",
"energy_above_hull": 1.877910382608696,
"spacegroup": 5
},
{
"id": "jvasp-122013",
"created_at": "2022-09-04T14:38:53.653237Z",
"updated_at": "2022-09-04T14:38:53.653270Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.794660 0.061939 0.995295\n1.486759 4.713398 0.439363\n0.380225 -0.247127 10.252569\nLi Mn Co O\n8 2 4 14\ndirect\n0.074790 0.500022 0.850278 Li\n0.651433 0.500018 0.696885 Li\n0.217229 0.500086 0.565308 Li\n0.781436 0.500059 0.437045 Li\n0.352755 0.499942 0.294649 Li\n0.923719 0.499965 0.152684 Li\n0.498481 0.499961 0.003110 Li\n0.717175 0.000069 0.565517 Li\n-0.001166 0.999976 0.002402 Mn\n0.575291 -0.000028 0.849551 Mn\n0.855650 0.000008 0.288658 Co\n0.427990 -0.000000 0.144032 Co\n0.143770 -0.000006 0.712552 Co\n0.284506 0.000023 0.430869 Co\n0.255792 0.223919 0.001024 O\n0.743316 0.776043 0.000886 O\n0.313108 0.775661 0.860641 O\n0.882829 0.771862 0.724542 O\n0.432210 0.773805 0.572690 O\n0.037421 0.773703 0.419166 O\n0.595957 0.785118 0.284368 O\n0.171244 0.776233 0.140473 O\n0.392804 0.227986 0.724635 O\n0.995022 0.226192 0.572860 O\n0.543184 0.226416 0.419253 O\n0.119528 0.214914 0.284507 O\n0.688233 0.223771 0.140599 O\n0.826310 0.224282 0.860800 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530267312385017,
"density_atomic": 0.1221978273459614,
"volume": 229.13664349143923,
"volume_molar": 4.928189715640661,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5550131100985225,
"spacegroup": 5
},
{
"id": "jvasp-117698",
"created_at": "2022-09-04T14:38:53.625097Z",
"updated_at": "2022-09-04T14:38:53.625125Z",
"structure_string": "Be1 S2\n1.0\n3.526341 -0.573599 -0.168301\n1.248222 -5.196625 0.166486\n0.511514 -3.966576 -3.108439\nBe S\n1 2\ndirect\n0.006443 0.934110 0.964963 Be\n0.908015 0.375889 0.333119 S\n0.451795 0.840750 0.248568 S\n",
"nsites": 3,
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"elements": [
"Be",
"S"
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"density": 2.115853363786273,
"density_atomic": 0.05226245556350962,
"volume": 57.40258408551783,
"volume_molar": 11.522881378357477,
"formula_full": "Be1 S2",
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"spacegroup": 5
},
{
"id": "jvasp-117718",
"created_at": "2022-09-04T14:38:53.449194Z",
"updated_at": "2022-09-04T14:38:53.449215Z",
"structure_string": "Bi1 O1 F2\n1.0\n3.516459 -2.129211 0.154582\n3.516459 2.129211 0.154582\n-0.461581 0.000000 4.109229\nBi O F\n1 1 2\ndirect\n-0.089918 0.089918 0.000000 Bi\n0.838322 0.161678 0.499999 O\n0.537604 0.795009 0.939880 F\n0.204992 0.462397 0.060118 F\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.06468538586333814,
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"formula_full": "Bi1 O1 F2",
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"spacegroup": 5
},
{
"id": "jvasp-119386",
"created_at": "2022-09-04T14:38:52.638212Z",
"updated_at": "2022-09-04T14:38:52.638236Z",
"structure_string": "Li5 Mn2 Ni5 O12\n1.0\n4.993132 0.014220 0.454945\n-2.623052 4.248666 0.454945\n-0.007866 -0.014149 9.582469\nLi Mn Ni O\n5 2 5 12\ndirect\n0.830625 0.666326 0.255522 Li\n0.673823 0.834399 0.742960 Li\n0.333674 0.169375 0.744477 Li\n0.165601 0.326177 0.257039 Li\n0.084733 0.915268 0.500000 Li\n0.746850 0.253149 0.500000 Mn\n0.250160 0.749841 -0.000001 Mn\n0.581558 0.418442 -0.000001 Ni\n0.487373 0.995378 0.256677 Ni\n0.419442 0.580559 0.500000 Ni\n0.916017 0.083983 -0.000000 Ni\n0.004623 0.512627 0.743322 Ni\n0.215455 0.024106 0.118930 O\n0.033494 0.232873 0.618427 O\n0.767127 0.966506 0.381573 O\n0.878142 0.383796 0.115010 O\n0.616204 0.121858 0.884989 O\n0.707453 0.524724 0.617151 O\n0.475276 0.292547 0.382848 O\n0.528112 0.709451 0.114933 O\n0.290549 0.471889 0.885066 O\n0.401716 0.883903 0.617459 O\n0.116098 0.598285 0.382540 O\n0.975893 0.784545 0.881069 O\n",
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{
"id": "jvasp-118827",
"created_at": "2022-09-04T14:38:53.048854Z",
"updated_at": "2022-09-04T14:38:53.048870Z",
"structure_string": "As1 C3\n1.0\n6.931047 -1.479412 -0.370392\n0.127341 -3.508898 -0.323752\n-1.920823 -1.651422 -2.041825\nAs C\n1 3\ndirect\n0.475345 0.355324 0.105288 As\n0.242402 0.121820 0.056733 C\n0.975500 0.493853 0.605144 C\n0.708660 0.842438 0.153166 C\n",
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{
"id": "jvasp-117701",
"created_at": "2022-09-04T14:38:52.951587Z",
"updated_at": "2022-09-04T14:38:52.951622Z",
"structure_string": "Be1 S2\n1.0\n3.479537 -0.767928 0.236691\n0.449762 -4.571719 -0.559342\n-0.476235 -0.704272 -3.468761\nBe S\n1 2\ndirect\n0.005791 0.824830 0.077285 Be\n0.617310 0.565632 0.081879 S\n0.000159 0.084418 0.465143 S\n",
"nsites": 3,
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"formula_full": "Be1 S2",
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}
]
}