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{
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"results": [
{
"id": "jvasp-76260",
"created_at": "2022-09-04T14:36:43.840639Z",
"updated_at": "2022-09-04T14:36:43.840671Z",
"structure_string": "K4 Rb2 Pt2\n1.0\n-0.000000 -0.000000 5.354206\n7.482535 0.000000 0.000000\n0.000000 7.482535 0.000000\nK Rb Pt\n4 2 2\ndirect\n0.500000 0.677672 0.177673 K\n0.500000 0.322327 0.822327 K\n0.500000 0.822327 0.677672 K\n0.500000 0.177673 0.322327 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n",
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{
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"structure_string": "Li4 Ti2 V4 O12\n1.0\n5.716267 0.008733 -1.306951\n-0.291727 5.774299 -1.423220\n0.015629 -0.046038 6.580616\nLi Ti V O\n4 2 4 12\ndirect\n0.335082 0.849777 0.344399 Li\n0.835089 0.849778 0.344392 Li\n0.498246 0.483556 0.988936 Li\n0.998240 0.483553 0.988943 Li\n0.666669 0.666687 0.666675 Ti\n0.166660 0.666646 0.666663 Ti\n0.489486 0.010542 0.993183 V\n0.343843 0.322787 0.340154 V\n0.989538 0.010544 0.993192 V\n0.843792 0.322787 0.340147 V\n0.083547 0.088593 0.315810 O\n0.583535 0.088553 0.315812 O\n0.917361 0.890113 0.670945 O\n0.417342 0.890113 0.670948 O\n0.915969 0.443220 0.662391 O\n0.741957 0.767115 0.988142 O\n0.091371 0.566219 0.345194 O\n0.591371 0.566249 0.345189 O\n0.241957 0.767084 0.988146 O\n0.249794 0.244781 0.017523 O\n0.415987 0.443220 0.662388 O\n0.749781 0.244741 0.017525 O\n",
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"volume": 216.9516769074925,
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"formula_full": "Li4 Ti2 V4 O12",
"formula_reduced": "Li2TiV2O6",
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{
"id": "jvasp-91742",
"created_at": "2022-09-04T14:36:14.073188Z",
"updated_at": "2022-09-04T14:36:14.073208Z",
"structure_string": "Ba1 Mg4 Ge3\n1.0\n4.642175 0.000000 -0.000000\n-0.000000 4.642175 -0.000000\n0.000000 -0.000000 8.772967\nBa Mg Ge\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.000000 0.680215 Mg\n0.000000 0.500001 0.680215 Mg\n0.500001 0.000000 0.319785 Mg\n0.000000 0.500001 0.319785 Mg\n0.000000 0.000000 0.500000 Ge\n0.500001 0.500001 0.850717 Ge\n0.500001 0.500001 0.149283 Ge\n",
"nsites": 8,
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"elements": [
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],
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"volume": 189.055585390745,
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"formula_full": "Ba1 Mg4 Ge3",
"formula_reduced": "BaMg4Ge3",
"formula_anonymous": "AB3C4",
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"spacegroup": 123
},
{
"id": "jvasp-14267",
"created_at": "2022-09-04T14:36:31.903196Z",
"updated_at": "2022-09-04T14:36:31.903217Z",
"structure_string": "Na1 Mn1 Se2\n1.0\n1.995450 -3.456220 -0.000000\n1.995450 3.456220 0.000000\n0.000000 0.000000 7.144509\nNa Mn Se\n1 1 2\ndirect\n0.666667 0.333333 0.229560 Na\n0.000000 0.000000 0.665275 Mn\n0.000000 0.000000 0.984792 Se\n0.333333 0.666667 0.519473 Se\n",
"nsites": 4,
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"elements": [
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"Mn",
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"density": 3.9740775786993,
"density_atomic": 0.04058965676899587,
"volume": 98.54727333036658,
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"formula_full": "Na1 Mn1 Se2",
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},
{
"id": "jvasp-15940",
"created_at": "2022-09-04T14:37:04.860590Z",
"updated_at": "2022-09-04T14:37:04.860617Z",
"structure_string": "Na1 Mn1 Se2\n1.0\n1.995450 -3.456220 -0.000000\n1.995450 3.456220 0.000000\n0.000000 0.000000 7.144509\nNa Mn Se\n1 1 2\ndirect\n0.666667 0.333333 0.229560 Na\n0.000000 0.000000 0.665275 Mn\n0.000000 0.000000 0.984792 Se\n0.333333 0.666667 0.519473 Se\n",
"nsites": 4,
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{
"id": "jvasp-58581",
"created_at": "2022-09-04T14:38:00.990873Z",
"updated_at": "2022-09-04T14:38:00.990897Z",
"structure_string": "Mg2 Ti4 O8\n1.0\n6.034183 -0.025948 -0.089856\n2.994620 5.238729 -0.089856\n2.936233 1.695236 4.794849\nMg Ti O\n2 4 8\ndirect\n0.124999 0.625001 0.625000 Mg\n0.624999 0.125000 0.625000 Mg\n0.997085 0.997085 0.002914 Ti\n0.252915 0.252915 0.247085 Ti\n0.625000 0.625000 0.124999 Ti\n0.624999 0.625001 0.624999 Ti\n0.385682 0.385683 0.373068 O\n0.373350 0.867070 0.379790 O\n0.385681 0.385683 0.855568 O\n0.867069 0.373351 0.379790 O\n0.382930 0.876650 0.870209 O\n0.876649 0.382932 0.870209 O\n0.864317 0.864318 0.394431 O\n0.864317 0.864319 0.876930 O\n",
"nsites": 14,
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"elements": [
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"O"
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"density": 3.974076008958477,
"density_atomic": 0.09102923868192664,
"volume": 153.796738308651,
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"formula_full": "Mg2 Ti4 O8",
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{
"id": "jvasp-64361",
"created_at": "2022-09-04T14:36:14.708245Z",
"updated_at": "2022-09-04T14:36:14.708256Z",
"structure_string": "Ba4 Sr1 Mn1\n1.0\n0.000000 5.248237 5.248237\n5.248237 -0.000000 5.248237\n5.248237 5.248237 -0.000000\nBa Sr Mn\n4 1 1\ndirect\n0.130537 0.623155 0.623155 Ba\n0.623155 0.623155 0.623155 Ba\n0.623155 0.130537 0.623155 Ba\n0.623155 0.623155 0.130537 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Mn\n",
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"density_atomic": 0.020753002512389207,
"volume": 289.114791771364,
"volume_molar": 29.01816619742073,
"formula_full": "Ba4 Sr1 Mn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-41380",
"created_at": "2022-09-04T14:37:45.751313Z",
"updated_at": "2022-09-04T14:37:45.751324Z",
"structure_string": "Mg1 Be2 As2\n1.0\n1.896206 -3.284325 -0.000000\n1.896206 3.284325 0.000000\n0.000000 0.000000 6.447354\nMg Be As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.374959 Be\n0.333334 0.666668 0.625040 Be\n0.333334 0.666668 0.263735 As\n0.666668 0.333334 0.736265 As\n",
"nsites": 5,
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],
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"density": 3.973720597544564,
"density_atomic": 0.062262542294004256,
"volume": 80.30510505642313,
"volume_molar": 9.672172927927358,
"formula_full": "Mg1 Be2 As2",
"formula_reduced": "Mg(BeAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5129189499999998,
"spacegroup": 164
},
{
"id": "jvasp-109378",
"created_at": "2022-09-04T14:38:26.852415Z",
"updated_at": "2022-09-04T14:38:26.852436Z",
"structure_string": "Na1 Sb1 S2\n1.0\n4.004799 0.000000 0.000000\n0.000000 4.004799 0.000000\n0.000000 -0.000000 5.442384\nNa Sb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
"nsites": 4,
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"formula_full": "Na1 Sb1 S2",
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},
{
"id": "jvasp-80946",
"created_at": "2022-09-04T14:37:13.950209Z",
"updated_at": "2022-09-04T14:37:13.950218Z",
"structure_string": "Li2 Cd1 Ga1\n1.0\n-9.155880 0.000000 -5.286150\n-6.054391 0.217442 -0.085787\n-5.172594 2.711543 -1.613105\nLi Cd Ga\n2 1 1\ndirect\n0.758248 -0.000000 -0.000000 Li\n0.241752 -0.000000 -0.000000 Li\n0.500000 -0.000000 -0.000000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"density": 3.973414598398501,
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"volume": 81.9175088876596,
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{
"id": "jvasp-26771",
"created_at": "2022-09-04T14:38:29.042955Z",
"updated_at": "2022-09-04T14:38:29.042990Z",
"structure_string": "Rb4 U2 Si8 O24\n1.0\n-6.878943 0.071499 -0.003927\n1.775297 8.012948 -0.013216\n-0.209584 -3.231670 -10.785711\nRb U Si O\n4 2 8 24\ndirect\n0.194061 0.298069 0.991157 Rb\n0.830862 0.743663 0.655243 Rb\n0.805937 0.701931 0.008844 Rb\n0.169137 0.256338 0.344758 Rb\n0.322392 0.713242 0.831201 U\n0.677607 0.286759 0.168800 U\n0.618719 0.131231 0.830651 Si\n0.700325 0.250321 0.482713 Si\n0.964935 0.325113 0.711020 Si\n0.678043 0.861163 0.380325 Si\n0.381280 0.868769 0.169350 Si\n0.321956 0.138838 0.619676 Si\n0.299673 0.749679 0.517288 Si\n0.035064 0.674888 0.288981 Si\n0.629269 0.264047 0.968452 O\n0.504570 0.568528 0.800095 O\n0.146327 0.865764 0.864746 O\n0.168278 0.628426 0.390694 O\n0.853672 0.134236 0.135254 O\n0.534438 0.797835 0.483667 O\n0.728184 0.345767 0.375958 O\n0.830182 0.168854 0.760237 O\n0.440614 0.167287 0.749538 O\n0.145276 0.244889 0.635486 O\n0.781505 0.067125 0.439844 O\n0.577184 0.927825 0.826884 O\n0.831720 0.371575 0.609306 O\n0.854722 0.755112 0.364515 O\n0.465560 0.202166 0.516334 O\n0.370729 0.735953 0.031549 O\n0.495429 0.431473 0.199905 O\n0.169816 0.831146 0.239764 O\n0.948795 0.505018 0.176193 O\n0.422815 0.072176 0.173116 O\n0.559384 0.832713 0.250462 O\n0.051204 0.494983 0.823808 O\n0.218493 0.932876 0.560156 O\n0.271815 0.654233 0.624043 O\n",
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"formula_full": "Rb4 U2 Si8 O24",
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{
"id": "jvasp-10303",
"created_at": "2022-09-04T14:37:07.186735Z",
"updated_at": "2022-09-04T14:37:07.186759Z",
"structure_string": "Rb4 Sn2 As4\n1.0\n6.411261 -0.000000 -2.810181\n-1.409085 6.580193 -3.214745\n-0.008717 0.021606 8.698662\nRb Sn As\n4 2 4\ndirect\n0.855286 0.014692 0.710571 Rb\n0.644713 0.304119 0.289428 Rb\n0.144713 0.985308 0.289428 Rb\n0.355285 0.695881 0.710570 Rb\n0.250000 0.500000 -0.000001 Sn\n0.749999 0.500000 -0.000000 Sn\n0.394478 0.210662 0.788955 As\n0.105521 0.421705 0.211044 As\n0.605521 0.789338 0.211044 As\n0.894477 0.578295 0.788955 As\n",
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"volume": 367.3430420541733,
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"formula_full": "Rb4 Sn2 As4",
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}
]
}