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{
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"results": [
{
"id": "jvasp-118971",
"created_at": "2022-09-04T14:38:50.670890Z",
"updated_at": "2022-09-04T14:38:50.670916Z",
"structure_string": "K2 Gd2 Ge2 S8\n1.0\n6.680460 0.000000 0.000000\n-0.000000 6.237253 1.949195\n-0.000000 0.091642 8.551302\nK Gd Ge S\n2 2 2 8\ndirect\n0.493764 0.261686 0.936993 K\n0.993764 0.738313 0.063006 K\n0.507523 0.230683 0.446785 Gd\n0.007523 0.769316 0.553215 Gd\n0.973264 0.219931 0.680128 Ge\n0.473264 0.780068 0.319872 Ge\n0.409687 0.568614 0.575772 S\n0.909686 0.431385 0.424228 S\n0.970300 0.421472 0.844588 S\n0.470300 0.578527 0.155412 S\n0.245890 0.012444 0.709432 S\n0.745890 0.987556 0.290567 S\n0.232573 0.030842 0.274487 S\n0.732573 0.969157 0.725513 S\n",
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"volume_molar": 15.2755872769319,
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{
"id": "jvasp-44767",
"created_at": "2022-09-04T14:38:07.740561Z",
"updated_at": "2022-09-04T14:38:07.740588Z",
"structure_string": "Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n",
"nsites": 14,
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"elements": [
"Li",
"V",
"Fe",
"O"
],
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"density": 4.168132996521929,
"density_atomic": 0.09886481163375929,
"volume": 141.60751200196927,
"volume_molar": 6.091288356780345,
"formula_full": "Li2 V2 Fe2 O8",
"formula_reduced": "LiVFeO4",
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"spacegroup": 74
},
{
"id": "jvasp-119666",
"created_at": "2022-09-04T14:38:50.354520Z",
"updated_at": "2022-09-04T14:38:50.354529Z",
"structure_string": "Al2 Cu2 Sn2 S8\n1.0\n6.331062 0.008301 -3.560649\n-2.093230 5.893746 -3.693614\n0.007673 -0.008301 7.263643\nAl Cu Sn S\n2 2 2 8\ndirect\n-0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.000001 Al\n0.384153 0.634153 0.750000 Cu\n0.615847 0.365847 0.250000 Cu\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.500000 Sn\n0.239251 0.737158 0.997905 S\n0.239251 0.241347 0.502095 S\n0.227913 0.749973 0.477941 S\n0.772032 0.749973 0.022060 S\n0.760748 0.262843 0.002095 S\n0.760748 0.758654 0.497906 S\n0.772087 0.250028 0.522059 S\n0.227968 0.250028 0.977940 S\n",
"nsites": 14,
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"elements": [
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"Sn",
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],
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"density_atomic": 0.05164828059338619,
"volume": 271.06420270247617,
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"formula_full": "Al2 Cu2 Sn2 S8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 74
},
{
"id": "jvasp-47885",
"created_at": "2022-09-04T14:37:06.193566Z",
"updated_at": "2022-09-04T14:37:06.193580Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.598137 0.000000 0.000000\n0.000000 5.885690 0.000000\n0.000000 0.000000 9.990649\nLi Co Si O\n4 4 4 16\ndirect\n0.019371 0.006527 0.220829 Li\n0.480629 0.006527 0.720829 Li\n0.519371 0.506527 0.279171 Li\n0.980630 0.506527 0.779171 Li\n-0.000002 0.256525 0.500002 Co\n0.500002 0.256525 0.000001 Co\n0.499998 0.756524 -0.000001 Co\n0.000002 0.756524 0.499999 Co\n0.922799 0.006529 0.912504 Si\n0.577202 0.006529 0.412504 Si\n0.422799 0.506529 0.587497 Si\n0.077202 0.506529 0.087497 Si\n0.778321 0.238887 0.852280 O\n0.782653 0.506531 0.581356 O\n0.717348 0.506531 0.081356 O\n0.721680 0.238887 0.352280 O\n0.721680 0.774172 0.352279 O\n0.760515 0.006531 0.561995 O\n0.239486 0.506531 0.438005 O\n0.221679 0.274172 0.147721 O\n0.278321 0.738887 0.647720 O\n0.282652 0.006531 0.918644 O\n0.217348 0.006531 0.418644 O\n0.221679 0.738887 0.147720 O\n0.778321 0.774172 0.852279 O\n0.260515 0.506531 0.938005 O\n0.278321 0.274172 0.647721 O\n0.739486 0.006531 0.061995 O\n",
"nsites": 28,
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"elements": [
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"Co",
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"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.8803936447338336,
"density_atomic": 0.1035583302348303,
"volume": 270.37902152831947,
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"formula_full": "Li4 Co4 Si4 O16",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-117240",
"created_at": "2022-09-04T14:38:49.871465Z",
"updated_at": "2022-09-04T14:38:49.871494Z",
"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
"nsites": 14,
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"elements": [
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"Mo",
"S"
],
"chemical_system": "Ga-Mg-Mo-S",
"density": 3.84848178233746,
"density_atomic": 0.050980018444256085,
"volume": 274.61739770275386,
"volume_molar": 11.812747315077745,
"formula_full": "Mg2 Ga2 Mo2 S8",
"formula_reduced": "MgGaMoS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8722338964285716,
"spacegroup": 44
},
{
"id": "jvasp-109801",
"created_at": "2022-09-04T14:38:49.858161Z",
"updated_at": "2022-09-04T14:38:49.858192Z",
"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n6.165402 0.022818 3.087566\n5.106916 3.454289 3.087566\n0.108728 0.033539 6.047609\nZr Cr Cu S\n1 1 1 4\ndirect\n0.755325 0.755326 0.232537 Zr\n0.244694 0.244695 0.771844 Cr\n0.497605 0.497606 0.477610 Cu\n0.382347 0.382348 0.935438 S\n0.623006 0.623007 0.039775 S\n0.865795 0.865796 0.487461 S\n0.131227 0.131228 0.555339 S\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "Cr-Cu-S-Zr",
"density": 4.386370838611093,
"density_atomic": 0.05519193829186047,
"volume": 126.83011716282371,
"volume_molar": 10.911268830883088,
"formula_full": "Zr1 Cr1 Cu1 S4",
"formula_reduced": "ZrCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.503500335714287,
"spacegroup": 8
},
{
"id": "jvasp-99132",
"created_at": "2022-09-04T14:36:17.014748Z",
"updated_at": "2022-09-04T14:36:17.014774Z",
"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.524203 0.000000 -0.316337\n0.000000 6.757537 0.000000\n-0.149012 0.000000 16.894253\nRb Si Bi S\n4 4 4 16\ndirect\n0.248187 0.244745 0.965477 Rb\n0.748186 0.255255 0.465477 Rb\n0.251814 0.744746 0.534522 Rb\n0.751813 0.755255 0.034522 Rb\n0.955085 0.268777 0.158661 Si\n0.455085 0.231223 0.658661 Si\n0.544914 0.768778 0.341339 Si\n0.044915 0.731223 0.841339 Si\n0.961870 0.286633 0.722777 Bi\n0.038129 0.713367 0.277222 Bi\n0.461870 0.213367 0.222778 Bi\n0.538129 0.786633 0.777222 Bi\n0.865734 0.992639 0.856110 S\n0.840836 0.494854 0.864762 S\n0.340837 0.005146 0.364762 S\n0.159163 0.505146 0.135238 S\n0.180592 0.240754 0.584582 S\n0.819408 0.759247 0.415418 S\n0.623748 0.813220 0.220146 S\n0.376251 0.186781 0.779853 S\n0.680592 0.259246 0.084582 S\n0.876251 0.313220 0.279853 S\n0.134265 0.007361 0.143889 S\n0.634265 0.492639 0.643889 S\n0.659163 0.994855 0.635237 S\n0.365734 0.507361 0.356111 S\n0.319408 0.740754 0.915418 S\n0.123749 0.686781 0.720146 S\n",
"nsites": 28,
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"elements": [
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"S"
],
"chemical_system": "Bi-Rb-S-Si",
"density": 4.021775350007169,
"density_atomic": 0.037608751164552374,
"volume": 744.5075715885781,
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"formula_full": "Rb4 Si4 Bi4 S16",
"formula_reduced": "RbSiBiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6137032714285713,
"spacegroup": 14
},
{
"id": "jvasp-61501",
"created_at": "2022-09-04T14:35:58.656416Z",
"updated_at": "2022-09-04T14:35:58.656434Z",
"structure_string": "Na4 Ca4 As4 O16\n1.0\n5.279285 0.000000 0.000000\n-0.000000 6.673113 0.000000\n0.000000 0.000000 11.531267\nNa Ca As O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.492981 0.750000 0.720299 Ca\n0.992980 0.250000 0.779702 Ca\n0.507018 0.250000 0.279702 Ca\n0.007019 0.750000 0.220299 Ca\n0.931512 0.750000 0.902997 As\n0.431513 0.250000 0.597003 As\n0.068487 0.250000 0.097003 As\n0.568486 0.750000 0.402997 As\n0.792050 0.951622 0.832061 O\n0.292050 0.048377 0.667940 O\n0.792050 0.548377 0.832061 O\n0.292050 0.451623 0.667940 O\n0.207949 0.048377 0.167940 O\n0.707949 0.951622 0.332060 O\n0.255077 0.750000 0.897626 O\n0.188965 0.250000 0.958417 O\n0.744922 0.250000 0.102374 O\n0.244922 0.750000 0.397626 O\n0.811035 0.750000 0.041583 O\n0.311035 0.250000 0.458417 O\n0.707949 0.548377 0.332060 O\n0.688964 0.750000 0.541583 O\n0.755077 0.250000 0.602375 O\n0.207949 0.451623 0.167940 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.3025684417581993,
"density_atomic": 0.06892510181472807,
"volume": 406.23806512850007,
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"formula_full": "Na4 Ca4 As4 O16",
"formula_reduced": "NaCaAsO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-113173",
"created_at": "2022-09-04T14:38:44.912687Z",
"updated_at": "2022-09-04T14:38:44.912707Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.250452 -0.080429 -0.000000\n0.748302 9.388261 -0.000001\n-0.000000 -0.000001 6.114365\nLi Mn P O\n4 4 4 16\ndirect\n0.169206 0.927938 0.640924 Li\n0.330792 0.572062 0.140924 Li\n0.669206 0.427938 0.859077 Li\n0.830792 0.072062 0.359076 Li\n0.222868 0.330518 0.609004 Mn\n0.277130 0.169482 0.109003 Mn\n0.722868 0.830518 0.890997 Mn\n0.777130 0.669482 0.390998 Mn\n0.260568 0.633432 0.651749 P\n0.239431 0.866568 0.151748 P\n0.760567 0.133432 0.848252 P\n0.739432 0.366568 0.348253 P\n0.485832 0.763560 0.165415 O\n0.492284 0.729192 0.646418 O\n0.507717 0.270808 0.353583 O\n0.785194 0.023355 0.660205 O\n0.261779 0.953305 0.938249 O\n0.214805 0.976644 0.339795 O\n0.285194 0.523355 0.839795 O\n0.992283 0.229192 0.853583 O\n0.985831 0.263560 0.334586 O\n0.014169 0.736440 0.665415 O\n0.714805 0.476644 0.160205 O\n0.761779 0.453305 0.561751 O\n0.738219 0.046695 0.061751 O\n0.007716 0.770808 0.146417 O\n0.238219 0.546695 0.438249 O\n0.514169 0.236440 0.834587 O\n",
"nsites": 28,
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"density_atomic": 0.0927886557579234,
"volume": 301.761026402293,
"volume_molar": 6.490169203131017,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.546420963054187,
"spacegroup": 14
},
{
"id": "jvasp-47058",
"created_at": "2022-09-04T14:38:05.419969Z",
"updated_at": "2022-09-04T14:38:05.419992Z",
"structure_string": "Li2 Ni2 P2 O8\n1.0\n-2.767532 4.634724 0.000000\n2.767532 0.000000 5.518389\n2.767532 4.634724 0.000000\nLi Ni P O\n2 2 2 8\ndirect\n0.806525 0.250000 0.806525 Li\n0.556525 0.750000 0.556525 Li\n0.442892 0.250000 0.442891 Ni\n0.192892 0.750000 0.192892 Ni\n0.121659 0.250000 0.121658 P\n0.871658 0.750000 0.871658 P\n0.777687 0.104415 0.269979 O\n0.294773 0.088897 0.161484 O\n0.750383 0.588897 0.205876 O\n0.874394 0.604415 0.673271 O\n0.161484 0.411104 0.294773 O\n0.269979 0.395585 0.777686 O\n0.673272 0.895585 0.874393 O\n0.205876 0.911104 0.750382 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Li-Ni-O-P",
"density": 3.7677439436274436,
"density_atomic": 0.09889383090005313,
"volume": 141.5659588933214,
"volume_molar": 6.089500937713967,
"formula_full": "Li2 Ni2 P2 O8",
"formula_reduced": "LiNiPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 43
},
{
"id": "jvasp-29884",
"created_at": "2022-09-04T14:37:30.589471Z",
"updated_at": "2022-09-04T14:37:30.589504Z",
"structure_string": "Cd2 In2 Ga2 S8\n1.0\n3.897464 0.000000 -0.000000\n-1.948732 3.375303 -0.000000\n-0.000000 -0.000000 25.214967\nCd In Ga S\n2 2 2 8\ndirect\n0.000000 -0.000000 0.242096 Cd\n0.000000 -0.000000 0.757904 Cd\n0.666666 0.333333 0.394228 In\n0.333333 0.666666 0.605772 In\n0.666666 0.333333 0.902262 Ga\n0.333333 0.666666 0.097738 Ga\n0.666666 0.333333 0.559786 S\n0.333333 0.666666 0.700943 S\n0.666666 0.333333 0.060798 S\n0.333333 0.666666 0.440214 S\n0.666666 0.333333 0.814546 S\n0.666666 0.333333 0.299057 S\n0.333333 0.666666 0.185454 S\n0.333333 0.666666 0.939202 S\n",
"nsites": 14,
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"elements": [
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"Ga",
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],
"chemical_system": "Cd-Ga-In-S",
"density": 4.257271265925651,
"density_atomic": 0.04220605434004049,
"volume": 331.70596538606856,
"volume_molar": 14.268428674904232,
"formula_full": "Cd2 In2 Ga2 S8",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.684930292142857,
"spacegroup": 164
},
{
"id": "jvasp-3153",
"created_at": "2022-09-04T14:36:17.431588Z",
"updated_at": "2022-09-04T14:36:17.431601Z",
"structure_string": "Li1 Zn1 P1 S4\n1.0\n5.026512 -0.000000 -2.720664\n-1.472594 4.805963 -2.720664\n0.041035 0.055492 6.079465\nLi Zn P S\n1 1 1 4\ndirect\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Zn\n0.250001 0.749999 0.500000 P\n0.918697 0.411015 0.272245 S\n0.588985 0.646451 0.727755 S\n0.138771 0.081303 0.727755 S\n0.353549 0.861229 0.272245 S\n",
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"elements": [
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],
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"density": 2.5916689167197524,
"density_atomic": 0.04717591779011542,
"volume": 148.38079104561018,
"volume_molar": 12.765285853668745,
"formula_full": "Li1 Zn1 P1 S4",
"formula_reduced": "LiZnPS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4730422714285714,
"spacegroup": 82
}
]
}