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"results": [
{
"id": "jvasp-108192",
"created_at": "2022-09-04T14:38:20.681405Z",
"updated_at": "2022-09-04T14:38:20.681429Z",
"structure_string": "Li1 Cr1 Co2 O6\n1.0\n6.030902 -0.043930 1.549994\n5.376137 2.733287 1.549994\n-0.071361 -0.016824 5.822847\nLi Cr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000001 0.000001 0.500000 Cr\n0.328952 0.328955 0.826230 Co\n0.671046 0.671048 0.173769 Co\n0.160626 0.160628 0.389290 O\n0.492990 0.492992 0.730182 O\n0.507008 0.507010 0.269817 O\n0.828169 0.828171 0.043407 O\n0.839372 0.839375 0.610709 O\n0.171829 0.171832 0.956592 O\n",
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{
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"structure_string": "Sr2 Al2 In2\n1.0\n4.850394 0.016960 3.937540\n2.330182 4.254041 3.937540\n0.007104 0.004225 8.008954\nSr Al In\n2 2 2\ndirect\n0.452961 0.452962 0.298863 Sr\n0.547037 0.547039 0.701137 Sr\n0.152849 0.152852 0.903832 Al\n0.847148 0.847149 0.096169 Al\n0.830225 0.830228 0.736420 In\n0.169772 0.169773 0.263580 In\n",
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"elements": [
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{
"id": "jvasp-117284",
"created_at": "2022-09-04T14:38:25.826144Z",
"updated_at": "2022-09-04T14:38:25.826160Z",
"structure_string": "Li3 Fe1 Co4 O8\n1.0\n4.955021 -0.002065 -2.792925\n-1.594910 4.752747 -2.833413\n-0.035358 -0.050128 5.729467\nLi Fe Co O\n3 1 4 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500001 Li\n0.500000 0.000001 0.000001 Fe\n0.500000 0.500001 0.000001 Co\n0.000000 0.000000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.500000 0.500001 0.500001 Co\n0.739844 0.257649 0.479697 O\n0.720356 0.740575 -0.025264 O\n0.254399 0.740579 0.974739 O\n0.256349 0.277790 0.512683 O\n0.743651 0.722212 0.487319 O\n0.745601 0.259423 0.025263 O\n0.279644 0.259427 0.025267 O\n0.260156 0.742352 0.520305 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.477320220319575,
"density_atomic": 0.11983830866306334,
"volume": 133.51323277588557,
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"formula_full": "Li3 Fe1 Co4 O8",
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"formula_anonymous": "AB3C4D8",
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{
"id": "jvasp-114124",
"created_at": "2022-09-04T14:38:26.040017Z",
"updated_at": "2022-09-04T14:38:26.040043Z",
"structure_string": "Ag1 Cl2\n1.0\n3.636715 0.249122 0.336542\n2.099894 -3.487416 -0.084902\n0.548532 -0.428011 -5.390674\nAg Cl\n1 2\ndirect\n0.921284 0.204454 0.913890 Ag\n0.269059 0.510063 0.646841 Cl\n0.573526 0.898811 0.180922 Cl\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ag-Cl",
"density": 4.158535041665185,
"density_atomic": 0.042024995863420955,
"volume": 71.38608674108723,
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"formula_full": "Ag1 Cl2",
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"spacegroup": 12
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{
"id": "jvasp-119307",
"created_at": "2022-09-04T14:38:30.088755Z",
"updated_at": "2022-09-04T14:38:30.088773Z",
"structure_string": "Dy2 Mo2 Cl2 O8\n1.0\n6.083768 0.015005 1.515417\n1.759971 5.823655 1.515417\n0.005781 0.004303 6.838316\nDy Mo Cl O\n2 2 2 8\ndirect\n0.778381 0.778382 0.108799 Dy\n0.221619 0.221619 0.891202 Dy\n0.362551 0.362551 0.269715 Mo\n0.637449 0.637450 0.730286 Mo\n0.009087 0.009087 0.238698 Cl\n0.990913 0.990914 0.761303 Cl\n0.110314 0.490297 0.153475 O\n0.490296 0.110315 0.153475 O\n0.294507 0.294507 0.536144 O\n0.509703 0.889686 0.846527 O\n0.705493 0.705494 0.463857 O\n0.889685 0.509704 0.846527 O\n0.542244 0.542245 0.201816 O\n0.457756 0.457756 0.798185 O\n",
"nsites": 14,
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"density": 4.911087297253415,
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"volume": 242.02026431144017,
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"formula_full": "Dy2 Mo2 Cl2 O8",
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{
"id": "jvasp-42508",
"created_at": "2022-09-04T14:38:30.137796Z",
"updated_at": "2022-09-04T14:38:30.137806Z",
"structure_string": "V4 O6 F2\n1.0\n-4.609103 0.087166 0.000000\n-0.086582 4.655766 -2.914089\n0.086582 -4.655766 -2.914089\nV O F\n4 6 2\ndirect\n0.500000 0.000000 0.500000 V\n0.499999 0.500001 -0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.800294 0.153295 0.346705 O\n0.705092 0.155457 0.851553 O\n0.705092 0.648448 0.344543 O\n0.294907 0.844544 0.148447 O\n0.294908 0.351553 0.655457 O\n0.199705 0.846706 0.653295 O\n0.788071 0.651865 0.848135 F\n0.211928 0.348136 0.151865 F\n",
"nsites": 12,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.48609735641392,
"density_atomic": 0.09598285135972409,
"volume": 125.02233294806439,
"volume_molar": 6.274184059640246,
"formula_full": "V4 O6 F2",
"formula_reduced": "V2O3F",
"formula_anonymous": "AB2C3",
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"spacegroup": 12
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{
"id": "jvasp-111378",
"created_at": "2022-09-04T14:38:26.177806Z",
"updated_at": "2022-09-04T14:38:26.177832Z",
"structure_string": "Ca2 Al2 Ga2\n1.0\n4.536534 0.034814 3.542957\n2.278964 3.922713 3.542957\n-0.022437 -0.013028 7.335389\nCa Al Ga\n2 2 2\ndirect\n0.550019 0.550019 0.195245 Ca\n0.449979 0.449979 0.804758 Ca\n0.162295 0.162295 0.403878 Al\n0.837704 0.837703 0.596125 Al\n0.838377 0.838377 0.215050 Ga\n0.161621 0.161621 0.784952 Ga\n",
"nsites": 6,
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"elements": [
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"Al",
"Ga"
],
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"density_atomic": 0.04602344202759703,
"volume": 130.36834568788274,
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"formula_full": "Ca2 Al2 Ga2",
"formula_reduced": "CaAlGa",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-117373",
"created_at": "2022-09-04T14:38:26.202756Z",
"updated_at": "2022-09-04T14:38:26.202782Z",
"structure_string": "Rb2 Bi8 Se14\n1.0\n9.793520 -0.048959 6.322201\n8.892665 4.103161 6.322201\n-0.059964 -0.013010 19.492782\nRb Bi Se\n2 8 14\ndirect\n0.463642 0.463641 0.840707 Rb\n0.536359 0.536358 0.159292 Rb\n0.635760 0.635759 0.433656 Bi\n0.364241 0.364240 0.566344 Bi\n0.222277 0.222276 0.933213 Bi\n0.777724 0.777723 0.066786 Bi\n0.149446 0.149446 0.614438 Bi\n0.850555 0.850554 0.385562 Bi\n0.697812 0.697811 0.769985 Bi\n0.302189 0.302189 0.230014 Bi\n0.235601 0.235601 0.419372 Se\n0.764400 0.764399 0.580627 Se\n0.372098 0.372097 0.056142 Se\n0.627904 0.627902 0.943858 Se\n0.899884 0.899882 0.217598 Se\n0.100118 0.100117 0.782401 Se\n0.699061 0.699059 0.259661 Se\n0.561386 0.561385 0.622052 Se\n0.171498 0.171497 0.100047 Se\n0.828504 0.828502 0.899952 Se\n0.047656 0.047656 0.428546 Se\n0.300941 0.300940 0.740339 Se\n0.438616 0.438615 0.377947 Se\n0.952345 0.952344 0.571454 Se\n",
"nsites": 24,
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],
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"volume": 793.4404141223746,
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"formula_full": "Rb2 Bi8 Se14",
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"formula_anonymous": "AB4C7",
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"spacegroup": 12
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{
"id": "jvasp-111389",
"created_at": "2022-09-04T14:38:26.307179Z",
"updated_at": "2022-09-04T14:38:26.307203Z",
"structure_string": "Cr2 Cu1 S4\n1.0\n5.864245 -0.003987 2.720352\n4.912899 3.202001 2.720352\n-0.016076 -0.004770 5.675104\nCr Cu S\n2 1 4\ndirect\n0.756575 0.756573 0.190499 Cr\n0.243426 0.243426 0.809499 Cr\n0.500001 0.499999 0.499999 Cu\n0.383400 0.383399 0.961432 S\n0.616601 0.616599 0.038567 S\n0.853696 0.853694 0.485248 S\n0.146305 0.146305 0.514750 S\n",
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],
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"density_atomic": 0.06552653790802264,
"volume": 106.82694711912998,
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"formula_full": "Cr2 Cu1 S4",
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"spacegroup": 12
},
{
"id": "jvasp-117348",
"created_at": "2022-09-04T14:38:26.267901Z",
"updated_at": "2022-09-04T14:38:26.267923Z",
"structure_string": "Rb4 U2 Te6\n1.0\n8.064649 0.009155 1.250542\n-4.320355 6.809786 1.250542\n0.019820 0.036096 8.826865\nRb U Te\n4 2 6\ndirect\n0.500000 0.500000 -0.000000 Rb\n0.651308 0.348692 0.500000 Rb\n0.348693 0.651308 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.831558 0.168442 -0.000000 U\n0.168443 0.831558 -0.000000 U\n0.804568 0.804567 0.202825 Te\n0.195433 0.195433 0.797175 Te\n0.428690 0.054188 0.209849 Te\n0.571311 0.945813 0.790151 Te\n0.945813 0.571310 0.790151 Te\n0.054188 0.428691 0.209849 Te\n",
"nsites": 12,
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],
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"density_atomic": 0.02477393783608084,
"volume": 484.3799996350666,
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"spacegroup": 12
},
{
"id": "jvasp-112319",
"created_at": "2022-09-04T14:38:26.368992Z",
"updated_at": "2022-09-04T14:38:26.369017Z",
"structure_string": "Ti4 Fe1 Se8\n1.0\n5.505298 -0.074893 4.062333\n0.971844 5.419357 4.062333\n-0.086413 -0.071302 8.436584\nTi Fe Se\n4 1 8\ndirect\n0.735821 0.264180 0.499999 Ti\n0.264179 0.735821 0.499999 Ti\n0.743632 0.743633 0.008112 Ti\n0.256368 0.256368 0.991886 Ti\n0.000000 0.000000 0.000000 Fe\n0.447964 0.447964 0.332104 Se\n0.552036 0.552037 0.667895 Se\n0.553577 0.048118 0.167868 Se\n0.446422 0.951883 0.832130 Se\n0.951883 0.446424 0.832130 Se\n0.048117 0.553578 0.167868 Se\n0.958663 0.958664 0.329013 Se\n0.041337 0.041337 0.670985 Se\n",
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],
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"density_atomic": 0.05086811686455901,
"volume": 255.56283191323325,
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"formula_full": "Ti4 Fe1 Se8",
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"spacegroup": 12
},
{
"id": "jvasp-117311",
"created_at": "2022-09-04T14:38:26.431324Z",
"updated_at": "2022-09-04T14:38:26.431359Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n2.837012 0.001232 0.006664\n1.420461 9.346562 0.853019\n0.011734 -0.020727 4.959867\nLi Mn Co O\n4 2 2 8\ndirect\n0.124998 0.749997 0.375000 Li\n0.624997 0.749998 0.875002 Li\n0.874185 0.252417 0.629633 Li\n0.375816 0.247587 0.120366 Li\n0.499917 0.000320 0.499781 Mn\n0.750081 0.499679 0.250219 Mn\n0.000096 -0.000239 -0.000045 Co\n0.249903 0.500238 0.750045 Co\n0.446414 0.110533 0.813711 O\n0.803585 0.389467 0.936287 O\n0.696363 0.610687 0.563254 O\n0.553634 0.889312 0.186748 O\n0.943681 0.112496 0.312059 O\n0.306317 0.387506 0.437940 O\n0.193684 0.612268 0.063104 O\n0.056315 0.887729 0.686897 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.840601598105719,
"density_atomic": 0.12161942736500128,
"volume": 131.5579290797118,
"volume_molar": 4.95162729382576,
"formula_full": "Li4 Mn2 Co2 O8",
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"formula_anonymous": "ABC2D4",
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}
]
}