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{
"id": "jvasp-38599",
"created_at": "2022-09-04T14:38:33.204609Z",
"updated_at": "2022-09-04T14:38:33.204640Z",
"structure_string": "K2 P4 Au2 S14\n1.0\n3.932615 4.603190 -0.038080\n-3.932614 4.603190 0.038078\n-0.618569 -0.000002 14.994323\nK P Au S\n2 4 2 14\ndirect\n0.245422 0.245422 0.750000 K\n0.754578 0.754578 0.250000 K\n0.647965 0.684449 0.638136 P\n0.684449 0.647966 0.861864 P\n0.352034 0.315551 0.361864 P\n0.315551 0.352035 0.138136 P\n0.000001 0.499999 0.500000 Au\n0.499999 0.000000 0.000000 Au\n0.155979 0.230759 0.029744 S\n0.230759 0.155979 0.470256 S\n0.844021 0.769242 0.970256 S\n0.769242 0.844022 0.529744 S\n0.643567 0.206740 0.115131 S\n0.206740 0.643568 0.384869 S\n0.730500 0.323781 0.845120 S\n0.793260 0.356432 0.615131 S\n0.269500 0.676219 0.154880 S\n0.815211 0.815212 0.750000 S\n0.676220 0.269500 0.345120 S\n0.323781 0.730500 0.654880 S\n0.356432 0.793261 0.884869 S\n0.184788 0.184789 0.250000 S\n",
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{
"id": "jvasp-9293",
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"updated_at": "2022-09-04T14:38:34.773133Z",
"structure_string": "Ba1 Mg1 Sn4 O8\n1.0\n2.978548 -5.158995 0.000000\n2.978548 5.158995 0.000000\n-0.000000 -0.000000 6.934111\nBa Mg Sn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666668 0.708186 Sn\n0.666668 0.333333 0.708186 Sn\n0.333333 0.666668 0.291814 Sn\n0.666668 0.333333 0.291814 Sn\n0.287700 0.287700 0.693623 O\n0.712301 -0.000000 0.693623 O\n-0.000000 0.712301 0.693623 O\n0.712301 0.712301 0.306377 O\n-0.000000 0.287700 0.306377 O\n0.287700 -0.000000 0.306377 O\n0.333333 0.666668 0.000000 O\n0.666668 0.333333 0.000000 O\n",
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"volume": 213.1034571918188,
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"formula_full": "Ba1 Mg1 Sn4 O8",
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"formula_anonymous": "ABC4D8",
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{
"id": "jvasp-112166",
"created_at": "2022-09-04T14:38:43.380966Z",
"updated_at": "2022-09-04T14:38:43.380992Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.979400 0.039162 0.281456\n-0.843888 3.869634 -0.193331\n0.671732 -0.060153 7.762560\nCd H C O\n1 4 4 4\ndirect\n0.809636 0.265858 0.261407 Cd\n0.527550 0.081858 0.665318 H\n0.066680 -0.017719 0.709304 H\n0.552565 0.549323 0.813498 H\n0.091696 0.449865 0.857521 H\n0.282759 0.653794 0.516814 C\n0.301206 0.872191 0.684095 C\n0.318080 0.659483 0.838716 C\n0.336673 0.877881 0.005992 C\n0.522543 0.724611 0.387047 O\n0.027199 0.402465 0.511672 O\n0.592308 0.129160 0.011085 O\n0.096987 0.807100 0.135803 O\n",
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"volume": 119.02213459906748,
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"formula_full": "Cd1 H4 C4 O4",
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"formula_anonymous": "AB4C4D4",
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},
{
"id": "jvasp-56663",
"created_at": "2022-09-04T14:38:33.700600Z",
"updated_at": "2022-09-04T14:38:33.700632Z",
"structure_string": "Li4 Mn2 Si2 O8\n1.0\n4.995106 0.000000 0.000000\n0.000000 5.355460 0.000000\n0.000000 0.000000 6.318914\nLi Mn Si O\n4 2 2 8\ndirect\n0.556401 0.330370 0.250577 Li\n0.556401 0.330370 0.749423 Li\n0.056401 0.669630 0.750576 Li\n0.056401 0.669630 0.249423 Li\n0.558512 0.826837 0.000000 Mn\n0.058511 0.173163 0.500000 Mn\n0.049960 0.177682 0.000000 Si\n0.549961 0.822318 0.500000 Si\n0.718682 0.182889 0.000000 O\n0.163367 0.321855 0.213720 O\n0.663367 0.678145 0.713720 O\n0.218682 0.817111 0.500000 O\n0.148353 0.881206 0.000000 O\n0.648353 0.118794 0.500000 O\n0.663367 0.678145 0.286279 O\n0.163367 0.321855 0.786279 O\n",
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"volume": 169.03783950961187,
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{
"id": "jvasp-110913",
"created_at": "2022-09-04T14:38:38.289805Z",
"updated_at": "2022-09-04T14:38:38.289824Z",
"structure_string": "Y1 Cr2 Si2 C1\n1.0\n3.956053 -0.000000 0.000000\n0.000000 3.956053 0.000000\n-0.000000 -0.000000 5.237356\nY Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.500000 Y\n-0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.500000 0.500000 0.271932 Si\n0.500000 0.500000 0.728069 Si\n0.000000 0.000000 0.000000 C\n",
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},
{
"id": "jvasp-116810",
"created_at": "2022-09-04T14:38:33.734066Z",
"updated_at": "2022-09-04T14:38:33.734096Z",
"structure_string": "Li2 V4 P2 O14\n1.0\n5.095401 -0.000000 -0.962821\n-0.000003 10.368434 -0.000011\n0.139385 -0.000000 4.705839\nLi V P O\n2 4 2 14\ndirect\n0.405191 0.164095 0.038819 Li\n0.594810 0.664095 0.461179 Li\n0.151876 0.612357 0.855591 V\n0.115642 0.834069 0.375367 V\n0.848126 0.112356 0.644410 V\n0.884359 0.334072 0.124635 V\n0.467410 0.398799 0.555041 P\n0.532593 0.898798 0.944963 P\n-0.022107 0.481720 -0.062517 O\n0.585838 0.033975 0.809075 O\n0.741586 0.188090 0.319117 O\n0.334895 0.938115 0.143915 O\n0.576698 0.306696 0.806235 O\n0.665110 0.438115 0.356086 O\n0.414167 0.533976 0.690925 O\n0.423303 0.806695 0.693768 O\n0.022107 -0.018280 0.562517 O\n0.953013 0.705096 0.600491 O\n0.219411 0.336988 0.394823 O\n0.046986 0.205096 0.899510 O\n0.258415 0.688089 0.180883 O\n0.780590 0.836987 0.105179 O\n",
"nsites": 22,
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"formula_full": "Li2 V4 P2 O14",
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{
"id": "jvasp-27055",
"created_at": "2022-09-04T14:38:33.150939Z",
"updated_at": "2022-09-04T14:38:33.150969Z",
"structure_string": "V2 Bi2 Pb2 O10\n1.0\n5.723624 -0.023067 0.064912\n-2.774246 6.694193 -0.045547\n-0.916199 -2.610288 6.669629\nV Bi Pb O\n2 2 2 10\ndirect\n0.847983 0.154840 0.349424 V\n0.152015 0.845159 0.650576 V\n0.573275 0.524806 0.254624 Bi\n0.426723 0.475193 0.745375 Bi\n0.186591 0.815680 0.119041 Pb\n0.813407 0.184319 0.880958 Pb\n0.947317 0.314208 0.603408 O\n0.052681 0.685790 0.396591 O\n0.637125 0.212631 0.204316 O\n0.362872 0.787368 0.795684 O\n0.117555 0.192693 0.257372 O\n0.882442 0.807306 0.742628 O\n0.333108 0.114576 0.686916 O\n0.666890 0.885423 0.313084 O\n0.257128 0.480770 0.002675 O\n0.742870 0.519229 0.997325 O\n",
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],
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"density": 7.117017015153399,
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"volume": 255.30704945367805,
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"formula_full": "V2 Bi2 Pb2 O10",
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},
{
"id": "jvasp-59783",
"created_at": "2022-09-04T14:38:33.097882Z",
"updated_at": "2022-09-04T14:38:33.097913Z",
"structure_string": "Rb1 Cd1 N3 O6\n1.0\n5.805690 -0.000000 -0.000000\n-0.000000 5.805690 0.000000\n-0.000000 0.000000 5.805690\nRb Cd N O\n1 1 3 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.714946 O\n0.000000 0.714946 0.500000 O\n0.000000 0.285054 0.500000 O\n0.500000 0.000000 0.285054 O\n0.285054 0.500000 0.000000 O\n0.714946 0.500000 0.000000 O\n",
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],
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"volume": 195.68679832836003,
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"formula_full": "Rb1 Cd1 N3 O6",
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{
"id": "jvasp-110968",
"created_at": "2022-09-04T14:38:38.400464Z",
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},
{
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"created_at": "2022-09-04T14:38:37.353717Z",
"updated_at": "2022-09-04T14:38:37.353730Z",
"structure_string": "Ce2 Co1 Ge4 Ru3\n1.0\n4.214666 -0.000000 0.000000\n0.000000 4.214666 0.000000\n0.000000 0.000000 10.089704\nCe Co Ge Ru\n2 1 4 3\ndirect\n0.500001 0.000000 0.748372 Ce\n-0.000000 0.500001 0.251628 Ce\n0.500001 0.500001 -0.000000 Co\n-0.000000 0.500001 0.882361 Ge\n0.500001 0.000000 0.377379 Ge\n0.500001 0.000000 0.117638 Ge\n-0.000000 0.500001 0.622620 Ge\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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{
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"created_at": "2022-09-04T14:38:34.790795Z",
"updated_at": "2022-09-04T14:38:34.790813Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n3.921675 0.002700 -0.841273\n-0.182918 3.917409 -0.841273\n-0.018220 -0.019103 9.477598\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250018 0.749982 0.500000 Li\n0.749980 0.250019 0.500000 Li\n0.383028 0.383029 0.766130 Nb\n0.616970 0.616972 0.233871 Nb\n0.106080 0.606072 0.212151 O\n0.606071 0.106081 0.212151 O\n0.722154 0.722155 0.444305 O\n0.393927 0.893920 0.787850 O\n0.277844 0.277846 0.555695 O\n0.499999 0.500000 0.000000 O\n0.893918 0.393929 0.787850 O\n",
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},
{
"id": "jvasp-119472",
"created_at": "2022-09-04T14:38:33.806370Z",
"updated_at": "2022-09-04T14:38:33.806400Z",
"structure_string": "Ba2 Zn4 Cu4 As6\n1.0\n6.683574 0.013213 0.000000\n-5.361798 3.990170 0.000000\n-0.000000 -0.000000 12.245006\nBa Zn Cu As\n2 4 4 6\ndirect\n0.178760 0.821239 0.250000 Ba\n0.821238 0.178760 0.750000 Ba\n0.831691 0.168307 0.057381 Zn\n0.168307 0.831692 0.942619 Zn\n0.168307 0.831692 0.557382 Zn\n0.831691 0.168307 0.442619 Zn\n0.454907 0.545091 0.145109 Cu\n0.545091 0.454908 0.854891 Cu\n0.545091 0.454908 0.645109 Cu\n0.454907 0.545091 0.354891 Cu\n0.623435 0.376564 0.046072 As\n0.376564 0.623435 0.953929 As\n0.376564 0.623435 0.546072 As\n0.623435 0.376564 0.453928 As\n0.905362 0.094636 0.250000 As\n0.094637 0.905363 0.750000 As\n",
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"formula_full": "Ba2 Zn4 Cu4 As6",
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}
]
}