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"results": [
{
"id": "jvasp-119657",
"created_at": "2022-09-04T14:38:36.651844Z",
"updated_at": "2022-09-04T14:38:36.651870Z",
"structure_string": "K1 Mn8 O16\n1.0\n5.594076 0.000643 -1.164991\n-1.401186 6.925089 0.289671\n0.013291 0.006060 7.073831\nK Mn O\n1 8 16\ndirect\n0.000000 0.000000 0.000000 K\n0.575255 0.818875 0.481713 Mn\n0.075783 0.818267 0.485138 Mn\n0.924216 0.181733 0.514862 Mn\n0.424745 0.181125 0.518287 Mn\n0.166978 0.485426 0.181710 Mn\n0.665571 0.481817 0.181095 Mn\n0.334429 0.518183 0.818905 Mn\n0.833022 0.514574 0.818290 Mn\n0.167150 0.291333 0.374842 O\n0.667392 0.293784 0.378213 O\n0.021710 0.374770 0.708831 O\n0.520182 0.377274 0.707127 O\n0.479818 0.622726 0.292873 O\n0.978290 0.625230 0.291168 O\n0.349411 0.356139 0.046259 O\n0.326456 0.953977 0.356091 O\n0.148446 0.645021 0.953220 O\n0.650589 0.643861 0.953741 O\n0.832850 0.708666 0.625158 O\n0.828243 0.953683 0.355031 O\n0.171757 0.046317 0.644969 O\n0.673544 0.046023 0.643909 O\n0.851554 0.354978 0.046780 O\n0.332608 0.706216 0.621787 O\n",
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{
"id": "jvasp-111023",
"created_at": "2022-09-04T14:38:36.661626Z",
"updated_at": "2022-09-04T14:38:36.661642Z",
"structure_string": "Na1 Bi1 Se2\n1.0\n4.035598 -0.007085 6.258743\n1.837561 3.592975 6.258743\n-0.011605 -0.007085 7.446998\nNa Bi Se\n1 1 2\ndirect\n0.500001 0.499999 0.499999 Na\n0.000000 0.000000 0.000000 Bi\n0.252010 0.252009 0.252009 Se\n0.747992 0.747990 0.747990 Se\n",
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{
"id": "jvasp-111027",
"created_at": "2022-09-04T14:38:36.668942Z",
"updated_at": "2022-09-04T14:38:36.668962Z",
"structure_string": "Mn2 V2 P4\n1.0\n3.118704 0.000000 0.000000\n0.000000 5.349976 0.000000\n0.000000 -0.000000 6.045657\nMn V P\n2 2 4\ndirect\n0.499999 0.490999 0.059978 Mn\n0.499999 0.990999 0.940022 Mn\n-0.000000 0.504387 0.451203 V\n-0.000000 0.004387 0.548797 V\n0.499999 0.311574 0.696587 P\n0.499999 0.811575 0.303413 P\n-0.000000 0.693041 0.829081 P\n-0.000000 0.193041 0.170920 P\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.5255003165953,
"density_atomic": 0.07930863807783167,
"volume": 100.87173596587277,
"volume_molar": 7.593297408650504,
"formula_full": "Mn2 V2 P4",
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"spacegroup": 26
},
{
"id": "jvasp-54491",
"created_at": "2022-09-04T14:38:36.670920Z",
"updated_at": "2022-09-04T14:38:36.670946Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.137058 0.000000 0.000000\n0.000000 9.297487 0.000000\n0.000000 0.000000 12.557915\nRb Zn Cl\n8 4 16\ndirect\n0.749264 0.871702 0.911510 Rb\n0.249264 0.478371 0.826962 Rb\n0.749264 0.521630 0.173038 Rb\n0.249264 0.978371 0.673037 Rb\n0.249264 0.628299 0.411510 Rb\n0.249264 0.128298 0.088490 Rb\n0.749264 0.371702 0.588490 Rb\n0.749264 0.021630 0.326962 Rb\n0.249361 0.726967 0.076755 Zn\n0.249361 0.226967 0.423245 Zn\n0.749361 0.773033 0.576755 Zn\n0.749361 0.273033 0.923245 Zn\n0.492102 0.173628 0.846093 Cl\n0.249185 0.313360 0.594060 Cl\n0.249526 0.983587 0.406860 Cl\n0.749185 0.186640 0.094061 Cl\n0.492102 0.673628 0.653906 Cl\n0.249526 0.483587 0.093140 Cl\n0.749185 0.686641 0.405939 Cl\n-0.007898 0.826373 0.153906 Cl\n0.249185 0.813360 0.905939 Cl\n-0.007898 0.326372 0.346094 Cl\n0.006699 0.673502 0.653726 Cl\n0.749527 0.016413 0.593140 Cl\n0.006699 0.173502 0.846273 Cl\n0.506699 0.826498 0.153726 Cl\n0.749527 0.516413 0.906860 Cl\n0.506699 0.326498 0.346273 Cl\n",
"nsites": 28,
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"elements": [
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],
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"formula_full": "Rb8 Zn4 Cl16",
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{
"id": "jvasp-58843",
"created_at": "2022-09-04T14:38:36.674302Z",
"updated_at": "2022-09-04T14:38:36.674328Z",
"structure_string": "Tl4 Cd4 Br12\n1.0\n4.168031 -0.000000 0.000000\n0.000000 9.393703 0.000000\n0.000000 0.000000 15.454657\nTl Cd Br\n4 4 12\ndirect\n0.250000 0.933253 0.324207 Tl\n0.750000 0.066746 0.675793 Tl\n0.250000 0.433254 0.175793 Tl\n0.750000 0.566746 0.824208 Tl\n0.250000 0.667323 0.557386 Cd\n0.750000 0.332677 0.442614 Cd\n0.250000 0.167323 0.942614 Cd\n0.750000 0.832677 0.057386 Cd\n0.250000 0.291278 0.784990 Br\n0.750000 0.708722 0.215011 Br\n0.750000 0.836741 0.493370 Br\n0.250000 0.163259 0.506630 Br\n0.750000 0.336741 0.006630 Br\n0.750000 0.474174 0.605476 Br\n0.750000 0.974174 0.894524 Br\n0.250000 0.025825 0.105476 Br\n0.750000 0.208722 0.284990 Br\n0.250000 0.525825 0.394524 Br\n0.250000 0.663258 0.993370 Br\n0.250000 0.791277 0.715011 Br\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Br-Cd-Tl",
"density": 6.1087455796827514,
"density_atomic": 0.033052389308611936,
"volume": 605.0999766842549,
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"formula_full": "Tl4 Cd4 Br12",
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"spacegroup": 62
},
{
"id": "jvasp-59092",
"created_at": "2022-09-04T14:38:36.675826Z",
"updated_at": "2022-09-04T14:38:36.675854Z",
"structure_string": "Rb4 Ga4 Cl16\n1.0\n7.028187 0.000000 0.000000\n-0.000000 9.261600 0.000000\n0.000000 0.000000 11.053057\nRb Ga Cl\n4 4 16\ndirect\n0.750000 0.819842 0.682749 Rb\n0.250000 0.180158 0.317251 Rb\n0.250000 0.319842 0.817251 Rb\n0.750000 0.680158 0.182749 Rb\n0.250000 0.810475 0.931827 Ga\n0.750000 0.189525 0.068174 Ga\n0.750000 0.310475 0.568174 Ga\n0.250000 0.689525 0.431826 Ga\n-0.001786 0.830740 0.422941 Cl\n0.498214 0.169260 0.577059 Cl\n-0.001786 0.669260 0.922941 Cl\n0.498214 0.330740 0.077059 Cl\n0.001786 0.169260 0.577059 Cl\n0.501786 0.830740 0.422941 Cl\n0.250000 0.550974 0.270769 Cl\n0.250000 0.568315 0.602325 Cl\n0.750000 0.050974 0.229231 Cl\n0.250000 0.949026 0.770769 Cl\n0.501786 0.669260 0.922941 Cl\n0.750000 0.431685 0.397675 Cl\n0.750000 0.068315 0.897675 Cl\n0.250000 0.931685 0.102325 Cl\n0.750000 0.449026 0.729231 Cl\n0.001786 0.330740 0.077059 Cl\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cl-Ga-Rb",
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"formula_full": "Rb4 Ga4 Cl16",
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"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"id": "jvasp-110696",
"created_at": "2022-09-04T14:38:36.688513Z",
"updated_at": "2022-09-04T14:38:36.688534Z",
"structure_string": "Na3 Au1 Cl6\n1.0\n6.249608 -0.000000 3.608213\n2.083203 5.892187 3.608213\n-0.000000 -0.000000 7.216425\nNa Au Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756436 0.243564 0.243564 Cl\n0.243564 0.243564 0.756436 Cl\n0.243564 0.756436 0.756436 Cl\n0.243564 0.756436 0.243564 Cl\n0.756436 0.243564 0.756436 Cl\n0.756436 0.756436 0.243564 Cl\n",
"nsites": 10,
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"density_atomic": 0.03763124601093604,
"volume": 265.7366167756947,
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"formula_full": "Na3 Au1 Cl6",
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},
{
"id": "jvasp-119668",
"created_at": "2022-09-04T14:38:36.697099Z",
"updated_at": "2022-09-04T14:38:36.697125Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n3.852830 -0.000000 0.000000\n0.000000 12.634766 0.000000\n-0.000000 -0.000000 13.386155\nTb Mg S\n8 4 16\ndirect\n0.250000 0.118360 0.075967 Tb\n0.750000 0.881640 0.924033 Tb\n0.750000 0.381640 0.575967 Tb\n0.250000 0.618360 0.424033 Tb\n0.250000 0.137331 0.705981 Tb\n0.750000 0.862670 0.294019 Tb\n0.750000 0.362669 0.205981 Tb\n0.250000 0.637331 0.794019 Tb\n0.750000 0.611433 0.047214 Mg\n0.250000 0.388567 0.952785 Mg\n0.250000 0.888568 0.547214 Mg\n0.750000 0.111433 0.452785 Mg\n0.250000 0.737222 0.984950 S\n0.750000 0.262778 0.015050 S\n0.250000 0.725601 0.249344 S\n0.750000 0.274400 0.750655 S\n0.750000 0.774400 0.749344 S\n0.250000 0.225601 0.250656 S\n0.250000 0.527412 0.616465 S\n0.250000 0.992467 0.384267 S\n0.750000 0.972589 0.116466 S\n0.250000 0.027412 0.883534 S\n0.750000 0.507533 0.884266 S\n0.250000 0.492467 0.115733 S\n0.250000 0.237222 0.515050 S\n0.750000 0.007533 0.615733 S\n0.750000 0.472588 0.383534 S\n0.750000 0.762779 0.484950 S\n",
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{
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"created_at": "2022-09-04T14:38:36.700423Z",
"updated_at": "2022-09-04T14:38:36.700438Z",
"structure_string": "Ru2 C8 O8\n1.0\n-5.780118 0.000119 -0.004690\n-0.001474 -6.823728 0.010544\n2.891865 3.395906 6.991953\nRu C O\n2 8 8\ndirect\n-0.001243 0.000370 -0.001104 Ru\n0.498755 0.000246 0.998892 Ru\n0.872298 0.995825 0.746249 C\n0.125287 0.004933 0.251546 C\n0.938794 0.683756 0.879396 C\n0.372368 0.753906 0.746363 C\n0.058620 0.316983 0.118400 C\n0.558739 0.802409 0.118602 C\n0.625231 0.246568 0.251423 C\n0.438663 0.198090 0.879187 C\n0.200144 0.007315 0.401095 O\n0.297649 0.607710 0.596944 O\n0.402733 0.315317 0.807694 O\n0.902936 0.495602 0.808045 O\n0.594588 0.685196 0.190111 O\n0.797520 0.993476 0.596713 O\n0.094393 0.505139 0.189760 O\n0.700051 0.392747 0.400852 O\n",
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{
"id": "jvasp-14244",
"created_at": "2022-09-04T14:38:36.709964Z",
"updated_at": "2022-09-04T14:38:36.709987Z",
"structure_string": "Ba4 Tl8 Hg8\n1.0\n10.960946 -0.000000 0.000000\n-0.000000 10.960946 0.000000\n0.000000 0.000000 5.179560\nBa Tl Hg\n4 8 8\ndirect\n0.851644 0.148356 0.000000 Ba\n0.648356 0.648356 0.500000 Ba\n0.351644 0.351644 0.500000 Ba\n0.148356 0.851644 0.000000 Ba\n0.141420 0.471334 0.000000 Tl\n0.971334 0.358580 0.500000 Tl\n0.858580 0.528667 0.000000 Tl\n0.028667 0.641420 0.500000 Tl\n0.641420 0.028667 0.500000 Tl\n0.471334 0.141420 0.000000 Tl\n0.528667 0.858580 0.000000 Tl\n0.358580 0.971334 0.500000 Tl\n0.904650 0.904650 0.500000 Hg\n0.812677 0.812677 0.000000 Hg\n0.312677 0.687323 0.500000 Hg\n0.687323 0.312677 0.500000 Hg\n0.187323 0.187323 0.000000 Hg\n0.404650 0.595351 0.000000 Hg\n0.095350 0.095350 0.500000 Hg\n0.595351 0.404650 0.000000 Hg\n",
"nsites": 20,
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"volume": 622.2844441448904,
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"formula_full": "Ba4 Tl8 Hg8",
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},
{
"id": "jvasp-21705",
"created_at": "2022-09-04T14:38:36.722916Z",
"updated_at": "2022-09-04T14:38:36.722947Z",
"structure_string": "Tm4 Ni2 As4\n1.0\n2.033414 -3.521976 -0.000000\n2.033414 3.521976 -0.000000\n-0.000000 -0.000000 13.925114\nTm Ni As\n4 2 4\ndirect\n0.333332 0.666666 0.882872 Tm\n0.666666 0.333332 0.382872 Tm\n0.666666 0.333332 0.117128 Tm\n0.333332 0.666666 0.617128 Tm\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.000000 As\n0.333332 0.666666 0.250000 As\n0.666666 0.333332 0.750000 As\n0.000000 0.000000 0.500000 As\n",
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"volume": 199.4531761267322,
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},
{
"id": "jvasp-119675",
"created_at": "2022-09-04T14:38:36.723680Z",
"updated_at": "2022-09-04T14:38:36.723719Z",
"structure_string": "Cr2 Co6 N6\n1.0\n6.339860 -0.064894 0.000000\n-3.116810 5.523570 0.000000\n-0.000000 -0.000000 3.885238\nCr Co N\n2 6 6\ndirect\n0.666683 0.333340 0.750000 Cr\n0.333318 0.666661 0.250000 Cr\n0.819226 0.638472 0.250000 Co\n0.819171 0.180744 0.250000 Co\n0.361471 0.180766 0.250000 Co\n0.180775 0.361528 0.750000 Co\n0.180830 0.819257 0.750000 Co\n0.638529 0.819235 0.750000 Co\n0.830643 0.661288 0.750000 N\n0.830577 0.169329 0.750000 N\n0.338652 0.169363 0.750000 N\n0.169358 0.338713 0.250000 N\n0.169424 0.830671 0.250000 N\n0.661349 0.830638 0.250000 N\n",
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}
]
}