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{
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"results": [
{
"id": "jvasp-45929",
"created_at": "2022-09-04T14:38:07.045772Z",
"updated_at": "2022-09-04T14:38:07.045798Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n-4.118552 4.111195 -0.023165\n4.118552 -0.023165 4.111195\n4.118552 4.111195 -0.023165\nLi V Co O\n2 2 2 8\ndirect\n0.500000 0.000001 0.000000 Li\n0.500002 0.500002 0.500000 Li\n0.122900 0.250001 0.127101 V\n0.877104 0.750003 0.872899 V\n0.500001 0.000001 0.500000 Co\n0.000001 0.500001 0.500000 Co\n0.757424 0.009003 0.251578 O\n0.753416 0.499137 0.247451 O\n0.246586 -0.000864 0.254277 O\n0.239421 0.490999 0.251577 O\n0.760583 0.509004 0.748422 O\n0.753416 0.000867 0.745723 O\n0.246588 0.500867 0.752549 O\n0.242579 0.991000 0.748422 O\n",
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"formula_full": "Li2 V2 Co2 O8",
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{
"id": "jvasp-43659",
"created_at": "2022-09-04T14:36:05.803939Z",
"updated_at": "2022-09-04T14:36:05.803966Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.929530 0.000000 0.000000\n0.000000 6.356285 0.000000\n0.000000 0.000000 9.404382\nLi Mn P O\n4 4 4 16\ndirect\n0.019490 0.250000 0.333045 Li\n0.480510 0.250000 0.833045 Li\n0.980510 0.750001 0.666955 Li\n0.519490 0.750001 0.166955 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.478528 0.750001 0.820329 P\n0.021472 0.750001 0.320329 P\n0.521472 0.250000 0.179671 P\n0.978528 0.250000 0.679671 P\n0.083572 0.750001 0.155323 O\n0.416428 0.750001 0.655323 O\n0.788633 0.750001 0.855285 O\n0.711367 0.750001 0.355285 O\n0.151446 0.548591 0.381040 O\n0.348554 0.548591 0.881040 O\n0.651446 0.451409 0.118960 O\n0.651446 0.048591 0.118960 O\n0.583572 0.250000 0.344677 O\n0.211367 0.250000 0.144715 O\n0.288633 0.250000 0.644715 O\n0.916428 0.250000 0.844677 O\n0.348554 0.951410 0.881040 O\n0.848554 0.048591 0.618960 O\n0.848554 0.451409 0.618960 O\n0.151446 0.951410 0.381040 O\n",
"nsites": 28,
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"density_atomic": 0.09502084630112227,
"volume": 294.67218078933587,
"volume_molar": 6.337704824176959,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-117169",
"created_at": "2022-09-04T14:38:51.207446Z",
"updated_at": "2022-09-04T14:38:51.207491Z",
"structure_string": "V4 Ag4 O4 F16\n1.0\n4.891765 -0.000000 0.000000\n0.000000 5.378297 0.927374\n-0.000000 -0.022475 13.754767\nV Ag O F\n4 4 4 16\ndirect\n0.014557 0.163409 0.139881 V\n0.514557 0.836592 0.360119 V\n-0.014557 0.836593 0.860119 V\n0.485444 0.163409 0.639881 V\n0.540882 0.669805 0.091109 Ag\n0.040882 0.330197 0.408890 Ag\n0.459119 0.330197 0.908890 Ag\n-0.040882 0.669805 0.591109 Ag\n0.298673 0.345838 0.560459 O\n0.798673 0.654164 0.939541 O\n0.701328 0.654163 0.439541 O\n0.201328 0.345838 0.060459 O\n0.732547 0.880197 0.250012 F\n0.232546 0.119804 0.249988 F\n0.793203 0.120883 0.567593 F\n0.293203 0.879119 0.932407 F\n0.206798 0.879119 0.432407 F\n0.706798 0.120882 0.067593 F\n0.681164 0.387781 0.696450 F\n0.617967 0.143823 0.380966 F\n0.318837 0.612221 0.303550 F\n0.818837 0.387780 0.196450 F\n0.382034 0.856178 0.619034 F\n0.882034 0.143824 0.880966 F\n0.767455 0.880197 0.750012 F\n0.117967 0.856178 0.119034 F\n0.181164 0.612221 0.803550 F\n0.267454 0.119805 0.749988 F\n",
"nsites": 28,
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"elements": [
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"F"
],
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"density": 4.602092788709144,
"density_atomic": 0.07735209553776184,
"volume": 361.9811435661872,
"volume_molar": 7.785362139361957,
"formula_full": "V4 Ag4 O4 F16",
"formula_reduced": "VAgOF4",
"formula_anonymous": "ABCD4",
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"spacegroup": 14
},
{
"id": "jvasp-40683",
"created_at": "2022-09-04T14:38:06.108048Z",
"updated_at": "2022-09-04T14:38:06.108080Z",
"structure_string": "Li3 Mn3 P3 O12\n1.0\n2.628424 -4.552564 -0.000000\n2.628424 4.552564 0.000000\n-0.000000 -0.000000 13.220785\nLi Mn P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.833333 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.166667 Li\n0.499999 0.499999 0.333333 Mn\n-0.000000 0.499999 0.666667 Mn\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.499999 0.833333 P\n-0.000000 0.499999 0.166667 P\n0.499999 -0.000000 0.500000 P\n0.181049 0.403533 0.232257 O\n0.222484 0.403533 0.767743 O\n0.181049 0.777515 0.101076 O\n0.222484 0.818950 0.565590 O\n0.818950 0.222484 0.101076 O\n0.403533 0.181049 0.434410 O\n0.818949 0.596466 0.232257 O\n0.777515 0.596466 0.767743 O\n0.596466 0.777515 0.898924 O\n0.403533 0.222484 0.898924 O\n0.777515 0.181049 0.565590 O\n0.596466 0.818949 0.434410 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 2.4695469085919406,
"density_atomic": 0.06637133795561055,
"volume": 316.4016373158681,
"volume_molar": 9.073405698145837,
"formula_full": "Li3 Mn3 P3 O12",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 180
},
{
"id": "jvasp-45932",
"created_at": "2022-09-04T14:38:09.452812Z",
"updated_at": "2022-09-04T14:38:09.452839Z",
"structure_string": "Li2 V2 Co2 O8\n1.0\n-2.869840 1.603264 4.695604\n-2.869840 4.961480 -0.053629\n-2.869840 -1.603264 -4.695604\nLi V Co O\n2 2 2 8\ndirect\n0.750000 0.122519 0.627481 Li\n0.250000 0.877482 0.372518 Li\n0.500000 0.500000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 -0.000000 0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n0.526686 0.738674 0.788010 O\n0.973314 0.738674 0.234641 O\n0.976855 0.282607 0.240536 O\n0.523144 0.736320 0.240536 O\n0.476855 0.263680 0.759464 O\n0.023144 0.717393 0.759464 O\n0.026686 0.261326 0.765359 O\n0.473314 0.261326 0.211989 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Co-Li-O-V",
"density": 4.474239103738156,
"density_atomic": 0.10431284038125184,
"volume": 134.21166511075296,
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"formula_full": "Li2 V2 Co2 O8",
"formula_reduced": "LiVCoO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-120450",
"created_at": "2022-09-04T14:38:38.002723Z",
"updated_at": "2022-09-04T14:38:38.002742Z",
"structure_string": "Dy4 Mo4 Br4 O16\n1.0\n6.561581 -0.042048 -2.046664\n-1.013001 6.884378 -1.848995\n-0.028287 0.097704 10.877549\nDy Mo Br O\n4 4 4 16\ndirect\n0.647933 0.121983 0.732747 Dy\n0.352067 0.878017 0.267254 Dy\n0.387616 0.657209 0.766996 Dy\n0.612384 0.342790 0.233005 Dy\n0.731682 0.811935 0.132828 Mo\n0.268317 0.188065 0.867173 Mo\n0.776097 0.597527 0.627414 Mo\n0.223902 0.402472 0.372586 Mo\n0.814984 0.289577 0.022273 Br\n0.185016 0.710423 0.977728 Br\n0.742357 0.010584 0.481219 Br\n0.257643 0.989416 0.518782 Br\n0.330467 0.488340 0.549490 O\n0.669533 0.511660 0.450511 O\n0.273362 0.586114 0.299590 O\n0.726638 0.413886 0.700411 O\n0.956983 0.340031 0.331251 O\n0.043017 0.659968 0.668749 O\n0.599350 0.014147 0.176871 O\n0.331509 0.273923 0.042128 O\n0.375884 0.354605 0.797518 O\n0.624115 0.645395 0.202483 O\n-0.000233 0.128546 0.793630 O\n0.000233 0.871453 0.206370 O\n0.655518 0.794536 0.702142 O\n0.668490 0.726076 0.957873 O\n0.400650 0.985853 0.823130 O\n0.344481 0.205464 0.297859 O\n",
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],
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"density": 5.432966311701586,
"density_atomic": 0.05692342407371786,
"volume": 491.88889206206227,
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"formula_full": "Dy4 Mo4 Br4 O16",
"formula_reduced": "DyMoBrO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-117394",
"created_at": "2022-09-04T14:38:27.252775Z",
"updated_at": "2022-09-04T14:38:27.252801Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.648823 0.000000 -6.114781\n0.000000 3.593641 0.000000\n-0.079978 -0.000000 6.171207\nZr Cr Ag S\n2 2 2 8\ndirect\n0.752012 0.000000 0.754970 Zr\n0.747988 0.500000 0.245030 Zr\n0.242009 0.000000 0.226927 Cr\n0.257991 0.500000 0.773073 Cr\n0.015525 0.500000 0.501763 Ag\n0.484474 0.000000 0.498237 Ag\n0.142899 0.500000 0.973712 S\n0.873599 0.500000 0.038767 S\n0.626401 0.000000 0.961233 S\n0.357101 0.000000 0.026288 S\n0.154458 0.000000 0.487841 S\n0.871084 0.000000 0.541007 S\n0.628915 0.500000 0.458994 S\n0.345541 0.500000 0.512160 S\n",
"nsites": 14,
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],
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"density": 4.519514603376853,
"density_atomic": 0.05022299344025439,
"volume": 278.75678132675415,
"volume_molar": 11.990804106816093,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 11
},
{
"id": "jvasp-45906",
"created_at": "2022-09-04T14:38:10.662294Z",
"updated_at": "2022-09-04T14:38:10.662317Z",
"structure_string": "Li2 Mn2 Co2 O8\n1.0\n-2.861885 1.606229 4.654204\n-2.861885 4.923436 -0.037035\n-2.861885 -1.606229 -4.654204\nLi Mn Co O\n2 2 2 8\ndirect\n0.749999 0.125318 0.624681 Li\n0.249998 0.874683 0.375317 Li\n0.499998 0.500001 -0.000001 Mn\n-0.000001 0.500000 0.499999 Mn\n0.499999 0.000000 -0.000000 Co\n-0.000001 0.500001 -0.000000 Co\n0.527864 0.737805 0.790060 O\n0.972131 0.737806 0.234327 O\n0.973263 0.286427 0.240308 O\n0.526733 0.732957 0.240308 O\n0.473264 0.267045 0.759690 O\n0.026733 0.713574 0.759690 O\n0.027866 0.262196 0.765670 O\n0.472133 0.262196 0.209937 O\n",
"nsites": 14,
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],
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"density": 4.667478508516097,
"density_atomic": 0.1064648332988691,
"volume": 131.49882046683965,
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"formula_full": "Li2 Mn2 Co2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-111547",
"created_at": "2022-09-04T14:38:40.384598Z",
"updated_at": "2022-09-04T14:38:40.384619Z",
"structure_string": "Mg2 Cr2 Ga2 S8\n1.0\n6.273519 -0.000001 3.612681\n2.067277 5.933190 3.663547\n-0.011301 0.021943 7.273058\nMg Cr Ga S\n2 2 2 8\ndirect\n0.873862 0.876138 0.876139 Mg\n0.126140 0.123861 0.123861 Mg\n0.500001 0.500000 -0.000000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.500001 0.500000 0.499999 Ga\n0.000001 0.499999 0.500002 Ga\n0.733079 0.740753 0.740753 S\n0.266367 0.252473 0.714794 S\n0.266367 0.714792 0.252474 S\n0.714585 0.259246 0.259247 S\n0.733634 0.285206 0.747526 S\n0.285417 0.740752 0.740753 S\n0.266922 0.259247 0.259247 S\n0.733635 0.747525 0.285207 S\n",
"nsites": 14,
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"elements": [
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],
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"density_atomic": 0.05173316718305218,
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"volume_molar": 11.640773391451777,
"formula_full": "Mg2 Cr2 Ga2 S8",
"formula_reduced": "MgCrGaS4",
"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-111843",
"created_at": "2022-09-04T14:38:39.111455Z",
"updated_at": "2022-09-04T14:38:39.111481Z",
"structure_string": "Hf2 Cr2 Ag2 S8\n1.0\n6.450503 0.034247 -3.558295\n-2.171389 6.014021 -3.658996\n-0.026958 -0.034247 7.366799\nHf Cr Ag S\n2 2 2 8\ndirect\n0.750000 0.750112 0.000111 Hf\n0.250000 0.749888 0.499887 Hf\n0.249981 0.250000 0.499981 Cr\n0.250019 0.750000 0.000018 Cr\n0.862321 0.112321 0.749999 Ag\n0.637678 0.387679 0.249999 Ag\n0.469392 0.505359 0.963983 S\n0.487020 0.501681 0.514736 S\n0.041374 0.505408 0.536015 S\n0.486944 0.972284 0.985262 S\n0.030607 0.994591 0.035964 S\n0.012979 0.527715 0.014660 S\n0.458625 0.994641 0.464034 S\n0.013055 0.998319 0.485339 S\n",
"nsites": 14,
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"elements": [
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"S"
],
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"density": 5.443428569577795,
"density_atomic": 0.04917715799115451,
"volume": 284.6850158058784,
"volume_molar": 12.245808838898746,
"formula_full": "Hf2 Cr2 Ag2 S8",
"formula_reduced": "HfCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.7188039514285727,
"spacegroup": 74
},
{
"id": "jvasp-104993",
"created_at": "2022-09-04T14:37:01.458436Z",
"updated_at": "2022-09-04T14:37:01.458455Z",
"structure_string": "Li1 Co1 Cu1 O4\n1.0\n2.782849 0.000000 0.000000\n-0.000000 4.668552 2.427793\n-0.000000 0.328788 5.682959\nLi Co Cu O\n1 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Cu\n0.000000 0.764814 0.727867 O\n0.500000 0.228445 0.671779 O\n0.000000 0.235186 0.272133 O\n0.500000 0.771555 0.328221 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Cu-Li-O",
"density": 4.48503805132156,
"density_atomic": 0.09775042326298836,
"volume": 71.61094311752652,
"volume_molar": 6.16073113442997,
"formula_full": "Li1 Co1 Cu1 O4",
"formula_reduced": "LiCoCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9884007642857149,
"spacegroup": 10
},
{
"id": "jvasp-42742",
"created_at": "2022-09-04T14:35:56.447810Z",
"updated_at": "2022-09-04T14:35:56.447824Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n5.025379 0.000000 0.000000\n0.000000 6.863496 0.000000\n0.000000 0.000000 9.475464\nLi Mn Si O\n4 4 4 16\ndirect\n0.752960 0.471025 0.190719 Li\n0.252960 0.971026 0.309280 Li\n0.752960 0.028975 0.690719 Li\n0.252960 0.528975 0.809280 Li\n0.812820 0.976911 0.115801 Mn\n0.312819 0.476911 0.384199 Mn\n0.812820 0.523090 0.615801 Mn\n0.312819 0.023089 0.884199 Mn\n0.738760 0.731360 0.910246 Si\n0.238760 0.231359 0.589754 Si\n0.738760 0.768641 0.410246 Si\n0.238760 0.268641 0.089754 Si\n0.872659 0.567249 0.809830 O\n0.867687 0.958996 0.902035 O\n0.367686 0.458996 0.597964 O\n0.372659 0.067249 0.690169 O\n0.921163 0.258725 0.627575 O\n0.788106 0.798046 0.580857 O\n0.288106 0.201955 0.419143 O\n0.921163 0.241275 0.127575 O\n0.872659 0.932752 0.309830 O\n0.867687 0.541005 0.402035 O\n0.367686 0.041005 0.097965 O\n0.372659 0.432752 0.190169 O\n0.421163 0.758726 0.872425 O\n0.788106 0.701955 0.080857 O\n0.421163 0.741275 0.372425 O\n0.288106 0.298046 0.919143 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"O"
],
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"density": 3.1290200815516296,
"density_atomic": 0.0856728747507235,
"volume": 326.82456473498394,
"volume_molar": 7.029226902356449,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 33
}
]
}