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{
"id": "jvasp-110237",
"created_at": "2022-09-04T14:38:15.427345Z",
"updated_at": "2022-09-04T14:38:15.427376Z",
"structure_string": "K2 Zn3 Si1 As4\n1.0\n7.668713 0.057223 0.000000\n-5.528445 5.314954 0.000000\n0.000000 0.000000 5.744573\nK Zn Si As\n2 3 1 4\ndirect\n0.500000 -0.000000 0.255074 K\n0.000000 0.500000 0.744925 K\n0.500000 0.499999 0.500000 Zn\n0.500000 0.499999 -0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Si\n0.657218 0.874774 0.766357 As\n0.125225 0.342781 0.233642 As\n0.874774 0.657218 0.233642 As\n0.342781 0.125225 0.766357 As\n",
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"structure_string": "In1 Bi1 Se3\n1.0\n3.941033 -0.048231 8.999520\n1.845329 3.482647 8.999520\n-0.081260 -0.048231 9.824281\nIn Bi Se\n1 1 3\ndirect\n0.401023 0.401024 0.401023 In\n0.601341 0.601343 0.601341 Bi\n0.780888 0.780890 0.780888 Se\n0.211722 0.211723 0.211723 Se\n0.005025 0.005025 0.005025 Se\n",
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"created_at": "2022-09-04T14:38:18.336102Z",
"updated_at": "2022-09-04T14:38:18.336121Z",
"structure_string": "Ho1 Cu1 Se2\n1.0\n4.077853 -0.000000 0.000000\n-2.038926 3.531525 0.000000\n-0.000000 -0.000000 6.411820\nHo Cu Se\n1 1 2\ndirect\n0.666666 0.333333 0.988548 Ho\n0.000000 0.000000 0.372194 Cu\n0.000000 0.000000 0.752586 Se\n0.333332 0.666666 0.258672 Se\n",
"nsites": 4,
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{
"id": "jvasp-110234",
"created_at": "2022-09-04T14:38:18.212206Z",
"updated_at": "2022-09-04T14:38:18.212236Z",
"structure_string": "Hf2 Al3 Zn1\n1.0\n4.550055 0.002058 2.524469\n1.487302 4.300109 2.524469\n0.002887 0.002058 5.203454\nHf Al Zn\n2 3 1\ndirect\n0.624196 0.624196 0.624194 Hf\n0.375805 0.375805 0.375804 Hf\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 -0.000000 Al\n0.000000 0.000000 0.499999 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
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"density": 8.214605839177707,
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"volume": 101.74622482587675,
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{
"id": "jvasp-110233",
"created_at": "2022-09-04T14:37:54.297768Z",
"updated_at": "2022-09-04T14:37:54.297789Z",
"structure_string": "In1 Ag3\n1.0\n3.057882 -0.000000 0.000000\n-1.528941 2.648203 0.000000\n-0.000000 0.000000 9.528064\nIn Ag\n1 3\ndirect\n0.333333 0.666666 -0.000000 In\n0.333333 0.666666 0.500000 Ag\n0.666666 0.333333 0.258977 Ag\n0.666666 0.333333 0.741023 Ag\n",
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{
"id": "jvasp-110232",
"created_at": "2022-09-04T14:38:16.254825Z",
"updated_at": "2022-09-04T14:38:16.254843Z",
"structure_string": "K3 Sn1 Sb3\n1.0\n9.069327 0.011372 0.850196\n8.020735 4.233277 0.850196\n-0.024106 -0.005987 6.938617\nK Sn Sb\n3 1 3\ndirect\n0.001933 0.001933 0.996334 K\n0.706057 0.706057 0.751704 K\n0.288979 0.288979 0.255730 K\n0.086964 0.086964 0.511227 Sn\n0.369760 0.369759 0.752542 Sb\n0.625670 0.625670 0.240699 Sb\n0.920634 0.920635 0.491769 Sb\n",
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{
"id": "jvasp-110231",
"created_at": "2022-09-04T14:37:53.078824Z",
"updated_at": "2022-09-04T14:37:53.078854Z",
"structure_string": "In1 Ga1 N2\n1.0\n3.387225 0.000000 0.000000\n-1.693613 2.933423 0.000000\n-0.000000 -0.000000 5.560385\nIn Ga N\n1 1 2\ndirect\n0.000000 0.000000 0.997322 In\n0.666666 0.333333 0.495460 Ga\n0.666666 0.333333 0.146053 N\n0.000000 0.000000 0.602766 N\n",
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{
"id": "jvasp-110230",
"created_at": "2022-09-04T14:38:17.974763Z",
"updated_at": "2022-09-04T14:38:17.974787Z",
"structure_string": "K2 C2 N2 O2\n1.0\n5.038527 -0.049771 -2.155973\n-2.188040 4.518588 -2.198249\n0.039464 0.049771 5.480275\nK C N O\n2 2 2 2\ndirect\n0.251539 -0.000000 0.251539 K\n0.751539 0.500000 0.251540 K\n0.498281 0.747740 0.746022 C\n0.998282 0.252261 0.750545 C\n0.357984 0.609002 0.466986 N\n0.857985 0.390998 0.748984 N\n0.642196 0.892008 0.034204 O\n0.142195 0.107993 0.750189 O\n",
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"volume": 125.34758742837141,
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"formula_full": "K2 C2 N2 O2",
"formula_reduced": "KCNO",
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"spacegroup": 46
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{
"id": "jvasp-11023",
"created_at": "2022-09-04T14:37:15.707988Z",
"updated_at": "2022-09-04T14:37:15.708003Z",
"structure_string": "Mg1 Ni4 O8\n1.0\n2.899816 0.000082 0.000020\n-1.449458 6.614416 0.009329\n-1.449741 -0.680487 6.806052\nMg Ni O\n1 4 8\ndirect\n0.531739 0.887308 0.176283 Mg\n0.194044 0.827155 0.561063 Ni\n0.350623 0.495380 0.206004 Ni\n0.675118 0.509937 0.840446 Ni\n0.847887 0.197484 0.498401 Ni\n0.476548 0.344743 0.608494 O\n0.223064 0.674249 0.772052 O\n0.807248 0.338886 0.275716 O\n0.559140 0.698542 0.419825 O\n0.832854 0.990346 0.675542 O\n0.883103 0.674705 0.091635 O\n0.189320 0.020812 0.357954 O\n0.155725 0.364343 0.947229 O\n",
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"volume": 130.56351662332037,
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"formula_full": "Mg1 Ni4 O8",
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"formula_anonymous": "AB4C8",
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{
"id": "jvasp-110229",
"created_at": "2022-09-04T14:37:51.183004Z",
"updated_at": "2022-09-04T14:37:51.183025Z",
"structure_string": "K2 P2 O6\n1.0\n7.129425 -0.283209 2.398427\n5.088028 5.002087 2.398427\n0.147274 0.056883 4.618680\nK P O\n2 2 6\ndirect\n0.888480 0.888481 0.351996 K\n0.111519 0.111519 0.648006 K\n0.378613 0.378613 0.762856 P\n0.621386 0.621387 0.237146 P\n0.645037 0.185576 0.840619 O\n0.814423 0.354963 0.159383 O\n0.354963 0.814424 0.159383 O\n0.185576 0.645037 0.840619 O\n0.309511 0.309511 0.582284 O\n0.690488 0.690489 0.417718 O\n",
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},
{
"id": "jvasp-110228",
"created_at": "2022-09-04T14:38:28.371306Z",
"updated_at": "2022-09-04T14:38:28.371323Z",
"structure_string": "K2 S2 O4 F2\n1.0\n5.600061 0.000000 0.000000\n-0.000000 4.444387 1.320911\n-0.000000 0.029396 6.764850\nK S O F\n2 2 4 2\ndirect\n0.245453 0.347867 0.294461 K\n0.745453 0.652134 0.705539 K\n0.725628 0.955259 0.157173 S\n0.225628 0.044743 0.842827 S\n0.034419 0.165173 0.691171 O\n0.534419 0.834829 0.308829 O\n0.756624 0.283387 0.119419 O\n0.256624 0.716614 0.880581 O\n0.987876 0.823899 0.327868 F\n0.487876 0.176103 0.672132 F\n",
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"formula_full": "K2 S2 O4 F2",
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{
"id": "jvasp-110227",
"created_at": "2022-09-04T14:38:28.184575Z",
"updated_at": "2022-09-04T14:38:28.184587Z",
"structure_string": "La2 Ni1 Sn4\n1.0\n9.202200 0.008544 0.000000\n-8.074681 4.413627 0.000000\n0.000000 0.000000 4.545636\nLa Ni Sn\n2 1 4\ndirect\n0.108389 0.891612 0.500000 La\n0.897815 0.102184 -0.000000 La\n0.313756 0.686245 0.500000 Ni\n0.454891 0.545109 0.500000 Sn\n0.560666 0.439334 -0.000000 Sn\n0.745364 0.254635 0.500000 Sn\n0.246399 0.753602 -0.000000 Sn\n",
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