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{
"id": "jvasp-34013",
"created_at": "2022-09-04T14:38:37.599544Z",
"updated_at": "2022-09-04T14:38:37.599571Z",
"structure_string": "Te6 Mo6 S6\n1.0\n3.370428 -0.196000 0.000121\n0.000377 -0.001098 -14.301396\n-1.183338 8.733217 -0.000847\nTe Mo S\n6 6 6\ndirect\n0.894106 0.882427 0.788214 Te\n0.778714 0.107922 0.557421 Te\n0.215047 0.884632 0.430120 Te\n0.554617 0.607924 0.109254 Te\n0.118287 0.384630 0.236538 Te\n0.439233 0.382426 0.878446 Te\n0.110237 0.742980 0.220479 Mo\n0.890389 0.243822 0.780772 Mo\n0.442949 0.743824 0.885897 Mo\n0.223095 0.242978 0.446186 Mo\n0.776887 0.752909 0.553798 Mo\n0.556446 0.252906 0.112868 Mo\n0.108040 0.146953 0.216047 S\n0.225290 0.646957 0.450625 S\n0.883818 0.644050 0.767646 S\n0.449518 0.144046 0.899028 S\n0.554417 0.844310 0.108846 S\n0.778919 0.344308 0.557816 S\n",
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{
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"structure_string": "Y4 Ga2 N6\n1.0\n6.534631 0.016716 -0.000000\n-3.124138 5.557350 0.000000\n-0.000000 -0.000000 5.074894\nY Ga N\n4 2 6\ndirect\n0.318597 0.342075 0.448718 Y\n0.681403 0.023477 0.448718 Y\n0.681403 0.657926 0.948718 Y\n0.318597 0.976523 0.948718 Y\n-0.000000 0.663322 0.476892 Ga\n-0.000000 0.336678 0.976892 Ga\n0.306664 0.331010 0.917735 N\n0.693336 0.024348 0.917735 N\n0.693336 0.668990 0.417736 N\n0.306664 0.975653 0.417736 N\n-0.000000 0.627143 0.862197 N\n-0.000000 0.372857 0.362198 N\n",
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{
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"updated_at": "2022-09-04T14:38:41.277106Z",
"structure_string": "Li2 H2 O2\n1.0\n3.059743 0.000000 -0.070609\n0.000000 2.978644 0.000000\n-1.392709 0.000000 4.977269\nLi H O\n2 2 2\ndirect\n0.827786 0.160046 0.657678 Li\n0.172212 0.660045 0.342322 Li\n0.555983 0.075692 0.108042 H\n0.444014 0.575691 0.891958 H\n0.636693 0.264300 0.269402 O\n0.363305 0.764299 0.730598 O\n",
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"spacegroup": 36
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{
"id": "jvasp-111849",
"created_at": "2022-09-04T14:38:42.340413Z",
"updated_at": "2022-09-04T14:38:42.340440Z",
"structure_string": "Al2 In4 N6\n1.0\n5.927412 -0.000449 -0.000000\n-2.950058 5.125835 0.000000\n0.000000 -0.000000 5.499476\nAl In N\n2 4 6\ndirect\n-0.000001 0.658745 0.489382 Al\n-0.000000 0.341254 0.989383 Al\n0.323843 0.335328 0.487493 In\n0.676156 0.011484 0.487493 In\n0.676155 0.664671 0.987493 In\n0.323843 0.988515 0.987493 In\n0.302002 0.332976 0.885230 N\n0.697997 0.030974 0.885230 N\n0.697997 0.667023 0.385230 N\n0.302001 0.969025 0.385230 N\n-0.000001 0.631595 0.837176 N\n-0.000000 0.368404 0.337175 N\n",
"nsites": 12,
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"density_atomic": 0.07182061698158533,
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"volume_molar": 8.384974973890944,
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},
{
"id": "jvasp-112616",
"created_at": "2022-09-04T14:38:42.556145Z",
"updated_at": "2022-09-04T14:38:42.556172Z",
"structure_string": "Y4 Mn2 S8\n1.0\n6.451781 0.002372 0.000000\n-5.343949 3.614926 0.000000\n-0.000000 -0.000000 12.805370\nY Mn S\n4 2 8\ndirect\n0.382049 0.617952 0.785143 Y\n0.617951 0.382049 0.285143 Y\n0.138822 0.861180 0.582074 Y\n0.861179 0.138820 0.082074 Y\n0.126309 0.873692 0.946342 Mn\n0.873691 0.126308 0.446342 Mn\n0.792217 0.207782 0.635013 S\n0.207783 0.792218 0.135013 S\n0.488453 0.511547 0.995093 S\n0.511547 0.488453 0.495093 S\n0.759256 0.240743 0.894901 S\n0.240744 0.759257 0.394901 S\n0.039941 0.960060 0.769432 S\n0.960059 0.039940 0.269432 S\n",
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"density_atomic": 0.04685121968453002,
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{
"id": "jvasp-116539",
"created_at": "2022-09-04T14:38:42.711407Z",
"updated_at": "2022-09-04T14:38:42.711424Z",
"structure_string": "Na2 Nb2 Se4 O14\n1.0\n6.673790 -0.015425 0.000000\n-2.333871 6.252420 0.000000\n-0.000000 -0.000000 7.423720\nNa Nb Se O\n2 2 4 14\ndirect\n0.974290 0.974289 0.365642 Na\n0.025710 0.025710 0.865642 Na\n0.512001 0.512001 0.896132 Nb\n0.487999 0.487998 0.396132 Nb\n0.567597 0.985615 0.625740 Se\n0.985615 0.567596 0.625740 Se\n0.432403 0.014385 0.125740 Se\n0.014385 0.432403 0.125740 Se\n0.882495 0.166720 0.122625 O\n0.166720 0.882495 0.122625 O\n0.117505 0.833280 0.622625 O\n0.833280 0.117504 0.622625 O\n0.194917 0.452396 0.942282 O\n0.452396 0.194917 0.942282 O\n0.449973 0.189907 0.313011 O\n0.547604 0.805082 0.442282 O\n0.189907 0.449973 0.313011 O\n0.410288 0.410287 0.633847 O\n0.810093 0.550026 0.813011 O\n0.550027 0.810092 0.813011 O\n0.805083 0.547604 0.442282 O\n0.589712 0.589712 0.133847 O\n",
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],
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"density": 4.139876160693619,
"density_atomic": 0.07108128383837661,
"volume": 309.5048205660328,
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"formula_full": "Na2 Nb2 Se4 O14",
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"formula_anonymous": "ABC2D7",
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"spacegroup": 36
},
{
"id": "jvasp-112694",
"created_at": "2022-09-04T14:38:43.408957Z",
"updated_at": "2022-09-04T14:38:43.408997Z",
"structure_string": "Ca2 Sm2 Cr2 O8\n1.0\n6.453499 -0.040112 0.000000\n-4.233633 4.870894 0.000000\n-0.000000 -0.000000 5.559941\nCa Sm Cr O\n2 2 2 8\ndirect\n0.896171 0.103830 0.515259 Ca\n0.103829 0.896170 0.015259 Ca\n0.611502 0.388498 0.481918 Sm\n0.388498 0.611502 0.981918 Sm\n0.249557 0.750442 0.498414 Cr\n0.750443 0.249557 0.998414 Cr\n0.525401 0.977935 0.251468 O\n0.474599 0.022065 0.751468 O\n0.977936 0.525401 0.751468 O\n0.022065 0.474599 0.251468 O\n0.083206 0.916793 0.436542 O\n0.423091 0.576909 0.564930 O\n0.916794 0.083206 0.936542 O\n0.576910 0.423090 0.064930 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.854519420444508,
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"volume": 173.8287201910134,
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{
"id": "jvasp-112735",
"created_at": "2022-09-04T14:38:43.602379Z",
"updated_at": "2022-09-04T14:38:43.602415Z",
"structure_string": "Cu2 Si4 N6\n1.0\n5.341455 -0.001222 0.000000\n-2.657276 4.619265 0.000000\n-0.000000 -0.000000 4.903236\nCu Si N\n2 4 6\ndirect\n-0.000001 0.632361 0.508810 Cu\n-0.000000 0.367638 0.008810 Cu\n0.336015 0.327243 0.490238 Si\n0.663985 0.991228 0.490238 Si\n0.663985 0.672756 0.990238 Si\n0.336015 0.008772 0.990238 Si\n0.397921 0.339671 0.846237 N\n0.602078 0.941749 0.846237 N\n0.602078 0.660328 0.346236 N\n0.397922 0.058250 0.346236 N\n-0.000001 0.737660 0.906243 N\n-0.000000 0.262339 0.406243 N\n",
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{
"id": "jvasp-111902",
"created_at": "2022-09-04T14:38:44.145444Z",
"updated_at": "2022-09-04T14:38:44.145474Z",
"structure_string": "Na4 W4 O14\n1.0\n3.801255 0.000000 -0.539300\n0.000000 5.475175 0.000000\n-0.023128 0.000000 13.503209\nNa W O\n4 4 14\ndirect\n0.786634 0.557061 0.573267 Na\n0.213367 0.057060 0.426733 Na\n0.051079 0.606508 0.102158 Na\n0.948922 0.106507 0.897842 Na\n0.340337 0.085747 0.680674 W\n0.659663 0.585748 0.319327 W\n0.445140 0.606388 0.890276 W\n0.554864 0.106388 0.109724 W\n0.410732 0.910117 0.821468 O\n0.490374 0.332622 0.980747 O\n0.390515 0.413175 0.781030 O\n0.609487 0.913174 0.218971 O\n0.147280 0.609205 0.294561 O\n0.852719 0.109206 0.705439 O\n0.952397 0.622083 0.904794 O\n0.288290 0.291792 0.576583 O\n0.047603 0.122081 0.095206 O\n0.589267 0.410115 0.178533 O\n0.692633 0.306787 0.385264 O\n0.307367 0.806786 0.614736 O\n0.711711 0.791794 0.423417 O\n0.509626 0.832624 0.019254 O\n",
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{
"id": "jvasp-113198",
"created_at": "2022-09-04T14:38:44.327941Z",
"updated_at": "2022-09-04T14:38:44.327968Z",
"structure_string": "Li4 Fe4 O2 F8\n1.0\n2.853095 0.000078 -0.000006\n1.427035 4.863422 0.000015\n-0.000017 0.000058 12.764336\nLi Fe O F\n4 4 2 8\ndirect\n0.775024 0.449617 0.888402 Li\n0.224971 0.550385 0.388401 Li\n0.511668 0.976371 0.992409 Li\n0.488331 0.023631 0.492407 Li\n0.750077 0.500110 0.616565 Fe\n0.249926 0.499889 0.116566 Fe\n0.962634 0.075266 0.257554 Fe\n0.037362 0.924730 0.757555 Fe\n0.324301 0.351826 0.254195 O\n0.675694 0.648173 0.754195 O\n0.873612 0.252544 0.028307 F\n0.126389 0.747457 0.528307 F\n0.847864 0.304637 0.466182 F\n0.152135 0.695365 0.966183 F\n0.578276 0.843062 0.143819 F\n0.421729 0.156940 0.643819 F\n0.579211 0.841851 0.352567 F\n0.420785 0.158148 0.852568 F\n",
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{
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"structure_string": "Fe8 O2 F14\n1.0\n7.568564 -0.189967 0.000000\n-4.924034 5.750925 0.000000\n-0.000000 -0.000000 6.753208\nFe O F\n8 2 14\ndirect\n0.125750 0.874249 0.005729 Fe\n0.624851 0.375148 0.976640 Fe\n0.394225 0.145188 0.508237 Fe\n0.854811 0.605774 0.508237 Fe\n0.605774 0.854811 0.008237 Fe\n0.145188 0.394225 0.008237 Fe\n0.874249 0.125749 0.505729 Fe\n0.375148 0.624851 0.476640 Fe\n0.622989 0.377010 0.700869 O\n0.377010 0.622989 0.200868 O\n0.019274 0.473063 0.501463 F\n0.218112 0.265234 0.502235 F\n0.734765 0.781887 0.502235 F\n0.980725 0.526935 0.001463 F\n0.473063 0.019274 0.001463 F\n0.624237 0.375761 0.279265 F\n0.265234 0.218112 0.002235 F\n0.873754 0.126245 0.810126 F\n0.126245 0.873754 0.310126 F\n0.126547 0.873452 0.703505 F\n0.526936 0.980724 0.501463 F\n0.781887 0.734765 0.002235 F\n0.375762 0.624237 0.779265 F\n0.873452 0.126547 0.203505 F\n",
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{
"id": "jvasp-116733",
"created_at": "2022-09-04T14:38:44.864628Z",
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"structure_string": "Ga4 Fe2 N6\n1.0\n5.581426 0.000461 0.000000\n-2.784828 4.829794 0.000000\n0.000000 -0.000000 5.229999\nGa Fe N\n4 2 6\ndirect\n0.333278 0.331603 0.493826 Ga\n0.666722 0.998325 0.493826 Ga\n0.666722 0.668396 0.993826 Ga\n0.333278 0.001674 0.993826 Ga\n-0.000000 0.663795 0.490906 Fe\n-0.000000 0.336204 0.990906 Fe\n0.334803 0.335460 0.870444 N\n0.665197 0.000658 0.870444 N\n0.665197 0.664539 0.370444 N\n0.334803 0.999342 0.370444 N\n-0.000000 0.672246 0.868557 N\n-0.000000 0.327753 0.368557 N\n",
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}
]
}