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{
"id": "jvasp-112163",
"created_at": "2022-09-04T14:38:45.772730Z",
"updated_at": "2022-09-04T14:38:45.772757Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.699509 0.005965 1.263975\n1.878135 4.668641 0.532216\n0.026454 0.013021 5.972551\nCd H C O\n1 2 3 4\ndirect\n0.382450 0.739060 0.499778 Cd\n0.335996 0.054255 0.946244 H\n0.098217 0.423452 0.052987 H\n0.894032 0.322940 0.792790 C\n0.770718 0.155372 0.206435 C\n0.060241 0.238975 0.999603 C\n0.460183 0.347787 0.326821 O\n0.849604 0.887045 0.243167 O\n0.741657 0.591340 0.756034 O\n0.895938 0.130806 0.672398 O\n",
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{
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"structure_string": "K2 In1 Ga1 F6\n1.0\n5.496954 -0.000000 3.173668\n1.832318 5.182578 3.173668\n-0.000000 -0.000000 6.347336\nK In Ga F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.500000 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.266213 0.266213 0.733787 F\n0.266213 0.733787 0.733787 F\n0.733786 0.733787 0.266214 F\n0.266213 0.733787 0.266214 F\n0.733786 0.266213 0.733788 F\n0.733786 0.266213 0.266214 F\n",
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{
"id": "jvasp-3753",
"created_at": "2022-09-04T14:35:56.536162Z",
"updated_at": "2022-09-04T14:35:56.536188Z",
"structure_string": "V2 Cl2 O2\n1.0\n3.339167 0.000000 0.000000\n0.000000 3.766677 0.000000\n0.000000 0.000000 7.814002\nV Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.617097 V\n0.000000 0.500000 0.382903 V\n0.500000 0.500000 0.168350 Cl\n0.000000 0.000000 0.831649 Cl\n0.000000 0.000000 0.451048 O\n0.500000 0.500000 0.548952 O\n",
"nsites": 6,
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"elements": [
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"formula_full": "V2 Cl2 O2",
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{
"id": "jvasp-68725",
"created_at": "2022-09-04T14:36:04.026344Z",
"updated_at": "2022-09-04T14:36:04.026357Z",
"structure_string": "Be1 Cd1 Cl2\n1.0\n-1.912568 1.912568 6.308289\n1.912568 -1.912568 6.308289\n1.912568 1.912568 -6.308289\nBe Cd Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Cl\n0.250000 0.750001 0.500000 Cl\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.4601022990288466,
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"volume": 92.30077401117873,
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{
"id": "jvasp-70957",
"created_at": "2022-09-04T14:35:44.893229Z",
"updated_at": "2022-09-04T14:35:44.893259Z",
"structure_string": "Sr1 Be2 Zn1\n1.0\n4.391067 0.000000 0.000000\n0.000000 4.391067 0.000000\n0.000000 0.000000 4.257317\nSr Be Zn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.000000 0.500000 Zn\n",
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"elements": [
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{
"id": "jvasp-87060",
"created_at": "2022-09-04T14:35:49.837406Z",
"updated_at": "2022-09-04T14:35:49.837424Z",
"structure_string": "Li3 La1 P2\n1.0\n4.225491 -0.000000 0.000000\n-2.112745 3.659383 0.000000\n-0.000000 0.000000 6.879779\nLi La P\n3 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666666 0.333333 0.361222 Li\n0.333332 0.666667 0.638778 Li\n0.000000 0.000000 0.000000 La\n0.333332 0.666667 0.263192 P\n0.666666 0.333333 0.736808 P\n",
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"volume": 106.37988947804965,
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{
"id": "jvasp-85686",
"created_at": "2022-09-04T14:36:02.609312Z",
"updated_at": "2022-09-04T14:36:02.609326Z",
"structure_string": "Na2 Zn1 H4 Se2 O10\n1.0\n5.718319 -0.007489 -1.803163\n-2.683877 6.545901 -1.110686\n-0.083518 0.000340 5.584505\nNa Zn H Se O\n2 1 4 2 10\ndirect\n0.723696 0.247627 0.346428 Na\n0.276303 0.752372 0.653573 Na\n0.000000 0.000000 0.000000 Zn\n0.871276 0.607841 0.853496 H\n0.128723 0.392159 0.146505 H\n0.154422 0.701474 0.078377 H\n0.845577 0.298526 0.921624 H\n0.661036 0.758760 0.324090 Se\n0.338963 0.241240 0.675911 Se\n0.641580 0.371568 0.716348 O\n0.358419 0.628432 0.283653 O\n0.175180 0.389574 0.655124 O\n0.824819 0.610425 0.344877 O\n0.652523 0.862777 0.070823 O\n0.773256 0.954916 0.594958 O\n0.347476 0.137223 0.929177 O\n0.037084 0.727898 0.925720 O\n0.226743 0.045083 0.405042 O\n0.962915 0.272102 0.074280 O\n",
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"elements": [
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"density": 3.460433143321408,
"density_atomic": 0.09137174130133432,
"volume": 207.94175233390828,
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"formula_full": "Na2 Zn1 H4 Se2 O10",
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{
"id": "jvasp-21802",
"created_at": "2022-09-04T14:38:20.550630Z",
"updated_at": "2022-09-04T14:38:20.550665Z",
"structure_string": "Tb2 Be26\n1.0\n6.243515 -0.000000 3.604695\n2.081172 5.886442 3.604695\n-0.000000 -0.000000 7.209390\nTb Be\n2 26\ndirect\n0.749999 0.750000 0.749999 Tb\n0.250000 0.250000 0.250000 Tb\n0.062899 0.289729 0.710270 Be\n0.710270 0.937100 0.062899 Be\n0.937100 0.710270 0.289729 Be\n0.210270 0.562899 0.437100 Be\n0.562899 0.437100 0.210270 Be\n0.437100 0.210270 0.562899 Be\n0.210270 0.437100 0.789729 Be\n0.210270 0.789729 0.562899 Be\n0.789729 0.437100 0.562899 Be\n0.289729 0.710270 0.062899 Be\n0.289729 0.937100 0.710270 Be\n0.937100 0.062899 0.710270 Be\n0.000000 0.000000 0.000000 Be\n0.710270 0.289729 0.937100 Be\n0.062899 0.937100 0.289729 Be\n0.937100 0.289729 0.062899 Be\n0.789729 0.562899 0.210270 Be\n0.562899 0.789729 0.437100 Be\n0.562899 0.210270 0.789729 Be\n0.437100 0.789729 0.210270 Be\n0.789729 0.210270 0.437100 Be\n0.437100 0.562899 0.789729 Be\n0.289729 0.062899 0.937100 Be\n0.500000 0.500000 0.500000 Be\n0.062899 0.710270 0.937100 Be\n0.710270 0.062899 0.289729 Be\n",
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{
"id": "jvasp-113174",
"created_at": "2022-09-04T14:38:44.222771Z",
"updated_at": "2022-09-04T14:38:44.222788Z",
"structure_string": "Fe4 P6 O20\n1.0\n8.388048 -0.000000 0.000000\n0.000000 4.668585 0.623421\n-0.000000 -0.021032 8.932542\nFe P O\n4 6 20\ndirect\n0.429344 0.044618 0.672538 Fe\n0.929344 0.955382 0.327462 Fe\n0.570656 0.955382 0.327462 Fe\n0.070656 0.044618 0.672538 Fe\n0.750000 0.387099 0.537270 P\n0.250000 0.467250 0.853419 P\n0.250000 0.337023 0.185857 P\n0.250000 0.612901 0.462730 P\n0.750000 0.662977 0.814143 P\n0.750000 0.532750 0.146581 P\n0.902220 0.694894 0.175102 O\n0.597020 0.220971 0.508205 O\n0.750000 0.694551 0.455172 O\n0.097780 0.305105 0.824897 O\n0.597781 0.694894 0.175102 O\n0.402598 0.172811 0.209453 O\n0.097020 0.779028 0.491794 O\n0.750000 0.225739 0.233932 O\n0.097403 0.172811 0.209453 O\n0.402220 0.305105 0.824897 O\n0.902981 0.220971 0.508205 O\n0.902598 0.827188 0.790547 O\n0.250000 0.529546 0.025723 O\n0.402980 0.779028 0.491794 O\n0.597403 0.827188 0.790547 O\n0.250000 0.305448 0.544828 O\n0.750000 0.470454 0.974276 O\n0.250000 0.597792 0.285214 O\n0.750000 0.402208 0.714786 O\n0.250000 0.774261 0.766068 O\n",
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"created_at": "2022-09-04T14:36:37.089237Z",
"updated_at": "2022-09-04T14:36:37.089264Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.110325 -0.000000 0.000000\n-0.000000 6.110325 -0.000000\n0.000000 0.000000 6.110325\nLi Mn F\n4 4 12\ndirect\n0.659713 0.659713 0.659713 Li\n0.840286 0.340286 0.159713 Li\n0.340286 0.159713 0.840286 Li\n0.159713 0.840286 0.340286 Li\n0.110080 0.610079 0.889919 Mn\n0.389920 0.389920 0.389920 Mn\n0.889919 0.110080 0.610079 Mn\n0.610079 0.889919 0.110080 Mn\n0.765549 0.615777 0.980816 F\n0.615777 0.980816 0.765549 F\n0.980816 0.765549 0.615777 F\n0.480817 0.734450 0.384223 F\n0.115777 0.519183 0.234451 F\n0.019183 0.265549 0.884222 F\n0.234451 0.115777 0.519183 F\n0.384223 0.480817 0.734450 F\n0.734450 0.384223 0.480817 F\n0.519183 0.234451 0.115777 F\n0.265549 0.884222 0.019183 F\n0.884222 0.019183 0.265549 F\n",
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{
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"structure_string": "Rb1 Ag1 Se1\n1.0\n5.710068 2.886240 0.000000\n2.173164 6.017084 0.000000\n0.000000 0.000000 4.651527\nRb Ag Se\n1 1 1\ndirect\n-0.194120 0.119018 0.000000 Rb\n0.529035 -0.158030 0.000000 Ag\n0.094863 0.407866 0.000000 Se\n",
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{
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"structure_string": "Li4 V4 F12\n1.0\n6.041004 -0.000000 0.000000\n-0.000000 6.041004 -0.000000\n-0.000000 0.000000 6.041004\nLi V F\n4 4 12\ndirect\n0.877007 0.877007 0.877007 Li\n0.122993 0.377007 0.622992 Li\n0.622992 0.122993 0.377007 Li\n0.377007 0.622992 0.122993 Li\n0.163266 0.163266 0.163266 V\n0.336734 0.836734 0.663266 V\n0.663266 0.336734 0.836734 V\n0.836734 0.663266 0.336734 V\n0.870379 0.991407 0.225800 F\n0.629620 0.008592 0.725800 F\n0.774199 0.370380 0.508592 F\n0.508592 0.774199 0.370380 F\n0.491407 0.274200 0.129620 F\n0.274200 0.129620 0.491407 F\n0.370380 0.508592 0.774199 F\n0.129620 0.491407 0.274200 F\n0.725800 0.629620 0.008592 F\n0.008592 0.725800 0.629620 F\n0.225800 0.870379 0.991407 F\n0.991407 0.225800 0.870379 F\n",
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]
}