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{
"id": "jvasp-86811",
"created_at": "2022-09-04T14:35:55.637585Z",
"updated_at": "2022-09-04T14:35:55.637617Z",
"structure_string": "Yb4 Cd2 Sb4\n1.0\n4.476422 -0.000000 -1.186928\n0.000000 7.146663 0.000000\n-0.011350 0.000000 8.991926\nYb Cd Sb\n4 2 4\ndirect\n0.479539 0.718562 0.959080 Yb\n0.520460 0.218563 0.040921 Yb\n0.697429 0.533748 0.394858 Yb\n0.302571 0.033748 0.605142 Yb\n0.901971 0.396199 0.803944 Cd\n0.098029 0.896199 0.196057 Cd\n0.319931 0.514608 0.639863 Sb\n0.680068 0.014608 0.360137 Sb\n0.069373 0.494392 0.138747 Sb\n0.930626 0.994392 0.861253 Sb\n",
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{
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"structure_string": "Ce2 Cu2 Ge4\n1.0\n0.000000 -0.000000 -4.341489\n-4.272196 0.000000 0.000000\n2.136098 8.422028 0.000000\nCe Cu Ge\n2 2 4\ndirect\n0.750000 0.105274 0.210548 Ce\n0.250000 0.894726 0.789452 Ce\n0.750000 0.322510 0.645018 Cu\n0.250000 0.677491 0.354982 Cu\n0.750000 0.462650 0.925298 Ge\n0.250000 0.537351 0.074702 Ge\n0.750000 0.749545 0.499090 Ge\n0.250000 0.250455 0.500910 Ge\n",
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{
"id": "jvasp-61260",
"created_at": "2022-09-04T14:35:55.629340Z",
"updated_at": "2022-09-04T14:35:55.629364Z",
"structure_string": "Dy4 B8 Ru4\n1.0\n5.312498 0.000000 0.000000\n-0.000000 5.908853 0.000000\n0.000000 0.000000 6.378314\nDy B Ru\n4 8 4\ndirect\n0.250000 0.009940 0.661740 Dy\n0.750000 0.490059 0.161741 Dy\n0.750000 0.990059 0.338259 Dy\n0.250000 0.509940 0.838259 Dy\n0.085442 0.371725 0.462440 B\n0.914559 0.128274 0.962440 B\n0.585442 0.628274 0.537559 B\n0.414558 0.871725 0.037559 B\n0.914559 0.628274 0.537559 B\n0.085442 0.871725 0.037559 B\n0.414558 0.371725 0.462440 B\n0.585442 0.128274 0.962440 B\n0.250000 0.185195 0.183355 Ru\n0.750000 0.314804 0.683355 Ru\n0.750000 0.814804 0.816644 Ru\n0.250000 0.685195 0.316644 Ru\n",
"nsites": 16,
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"density": 9.46103320800735,
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"volume": 200.22018613399595,
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"formula_full": "Dy4 B8 Ru4",
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"formula_anonymous": "ABC2",
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"spacegroup": 62
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{
"id": "jvasp-89267",
"created_at": "2022-09-04T14:35:55.627535Z",
"updated_at": "2022-09-04T14:35:55.627548Z",
"structure_string": "Cu2 W2 O8\n1.0\n4.673251 0.010122 0.579241\n0.199923 4.920028 0.167985\n-0.023090 0.029425 5.917594\nCu W O\n2 2 8\ndirect\n0.496195 0.752222 0.658377 Cu\n0.503804 0.247778 0.341623 Cu\n0.017436 0.746159 0.172358 W\n0.982564 0.253842 0.827642 W\n0.218961 0.054662 0.090354 O\n0.781038 0.945339 0.909646 O\n0.265287 0.094418 0.618962 O\n0.734712 0.905583 0.381038 O\n0.251701 0.571905 0.354043 O\n0.748298 0.428096 0.645957 O\n0.216773 0.570499 0.882226 O\n0.783226 0.429502 0.117774 O\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.08817400674503137,
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"formula_full": "Cu2 W2 O8",
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{
"id": "jvasp-94800",
"created_at": "2022-09-04T14:35:55.627058Z",
"updated_at": "2022-09-04T14:35:55.627090Z",
"structure_string": "Yb2 Mn2 Sb4\n1.0\n4.301422 0.000000 -0.787037\n-0.144005 4.299012 -0.787037\n-0.283369 -0.293020 10.599168\nYb Mn Sb\n2 2 4\ndirect\n0.879120 0.879120 0.758239 Yb\n0.120880 0.120880 0.241761 Yb\n0.750000 0.250000 0.500000 Mn\n0.250001 0.750000 0.500000 Mn\n0.673978 0.673977 0.347954 Sb\n0.326023 0.326023 0.652045 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.000001 0.500000 -0.000000 Sb\n",
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"spacegroup": 139
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{
"id": "jvasp-91514",
"created_at": "2022-09-04T14:35:55.622303Z",
"updated_at": "2022-09-04T14:35:55.622335Z",
"structure_string": "Dy2 Sn6\n1.0\n4.421200 0.000000 0.000000\n0.000000 4.449504 0.000000\n0.000000 -2.224752 11.065678\nDy Sn\n2 6\ndirect\n0.500000 0.482277 0.964553 Dy\n0.000000 0.209528 0.419058 Dy\n0.500000 0.098210 0.196423 Sn\n0.500000 0.734558 0.469119 Sn\n0.500000 0.868880 0.737762 Sn\n0.000000 0.975744 0.951490 Sn\n0.000000 0.358580 0.717160 Sn\n0.000000 0.598218 0.196437 Sn\n",
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"volume": 217.68564520903547,
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{
"id": "jvasp-67661",
"created_at": "2022-09-04T14:35:55.616186Z",
"updated_at": "2022-09-04T14:35:55.616208Z",
"structure_string": "Sr1 Be1 Cu1\n1.0\n-1.625837 1.625837 5.390771\n1.625837 -1.625837 5.390771\n1.625837 1.625837 -5.390771\nSr Be Cu\n1 1 1\ndirect\n0.666272 0.666272 0.000000 Sr\n0.948007 0.948007 0.000000 Be\n0.385721 0.385721 0.000000 Cu\n",
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"formula_full": "Sr1 Be1 Cu1",
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{
"id": "jvasp-71978",
"created_at": "2022-09-04T14:35:55.614451Z",
"updated_at": "2022-09-04T14:35:55.614477Z",
"structure_string": "Be1 Ni2 Rh1\n1.0\n-1.818060 1.818060 3.367290\n1.818060 -1.818060 3.367290\n1.818060 1.818060 -3.367290\nBe Ni Rh\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.500000 0.000000 Rh\n",
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{
"id": "jvasp-98264",
"created_at": "2022-09-04T14:35:55.613615Z",
"updated_at": "2022-09-04T14:35:55.613625Z",
"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
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{
"id": "jvasp-67449",
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"structure_string": "Be1 V1 Pb1\n1.0\n-1.596077 1.596077 4.996850\n1.596077 -1.596077 4.996850\n1.596077 1.596077 -4.996850\nBe V Pb\n1 1 1\ndirect\n0.044799 0.044799 0.000000 Be\n0.626511 0.626511 0.000000 V\n0.328689 0.328689 0.000000 Pb\n",
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{
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"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
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{
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"created_at": "2022-09-04T14:35:55.604365Z",
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"structure_string": "Yb4 Mg2\n1.0\n3.708238 0.000000 0.000000\n-1.854119 2.340288 5.655269\n0.000000 -6.644521 6.669875\nYb Mg\n4 2\ndirect\n0.022358 0.044715 0.936027 Yb\n0.699865 0.399730 0.119526 Yb\n0.369879 0.739759 0.321532 Yb\n0.352343 0.704686 0.734023 Yb\n0.054524 0.109049 0.442991 Mg\n0.667697 0.335394 0.612565 Mg\n",
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}
]
}