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{
"id": "jvasp-99872",
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"structure_string": "Nd3 Mg3 Au3\n1.0\n7.749006 -0.000000 -0.000000\n-3.874502 6.710837 0.000000\n0.000000 -0.000000 4.182462\nNd Mg Au\n3 3 3\ndirect\n0.587304 0.000000 0.000000 Nd\n0.000000 0.587304 0.000000 Nd\n0.412696 0.412696 0.000000 Nd\n0.241858 0.000000 0.500000 Mg\n0.000000 0.241858 0.500000 Mg\n0.758143 0.758143 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666668 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"structure_string": "Li5 Nb2 V5 O12\n1.0\n5.063938 0.228894 -0.130710\n2.416417 4.456097 0.130710\n-0.650208 1.038165 9.944854\nLi Nb V O\n5 2 5 12\ndirect\n0.163289 0.678581 0.505018 Li\n0.315802 0.825928 0.991523 Li\n0.678582 0.163287 0.994982 Li\n0.825929 0.315801 0.508476 Li\n0.925266 0.925264 0.750000 Li\n0.251272 0.251271 0.750000 Nb\n0.730501 0.730499 0.250000 Nb\n0.584571 0.584570 0.750000 V\n0.442314 0.442313 0.250000 V\n0.082576 0.082576 0.250000 V\n0.997539 0.502214 0.985418 V\n0.502216 0.997538 0.514581 V\n0.781391 0.045214 0.375012 O\n0.958428 0.199450 0.875527 O\n0.199452 0.958427 0.624473 O\n0.146051 0.363879 0.373777 O\n0.363879 0.146051 0.126222 O\n0.292636 0.551046 0.872791 O\n0.551047 0.292635 0.627209 O\n0.449104 0.707108 0.391754 O\n0.707109 0.449103 0.108246 O\n0.629357 0.876485 0.872592 O\n0.876487 0.629355 0.627407 O\n0.045215 0.781391 0.124988 O\n",
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"formula_full": "Li5 Nb2 V5 O12",
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{
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"updated_at": "2022-09-04T14:38:26.897595Z",
"structure_string": "Cu2 As2 Pb2 O8\n1.0\n4.895984 -0.033777 0.044465\n0.540398 5.839303 -0.030531\n2.092024 1.361159 7.613345\nCu As Pb O\n2 2 2 8\ndirect\n0.363868 0.807282 0.995592 Cu\n0.636131 0.192717 0.004409 Cu\n0.580535 0.796308 0.313085 As\n0.419464 0.203691 0.686917 As\n0.071923 0.289655 0.316781 Pb\n0.928076 0.710344 0.683220 Pb\n0.781090 0.030354 0.185981 O\n0.218909 0.969644 0.814020 O\n0.223378 0.378048 0.562391 O\n0.492941 0.371784 0.826900 O\n0.727657 0.091213 0.563326 O\n0.272341 0.908786 0.436675 O\n0.776621 0.621951 0.437610 O\n0.507058 0.628214 0.173101 O\n",
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"formula_full": "Cu2 As2 Pb2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 2
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{
"id": "jvasp-116771",
"created_at": "2022-09-04T14:38:45.520195Z",
"updated_at": "2022-09-04T14:38:45.520222Z",
"structure_string": "La2 Mn2 Zn2 Fe2 O12\n1.0\n5.473068 0.000096 -0.000035\n0.000105 5.272940 -0.006828\n-0.000016 0.013985 7.536287\nLa Mn Zn Fe O\n2 2 2 2 12\ndirect\n0.005267 0.991840 0.250022 La\n0.494698 0.492165 0.750022 La\n0.500673 0.000578 0.499889 Mn\n0.999326 0.500503 -0.000109 Mn\n0.503620 0.529284 0.250268 Zn\n0.996382 0.029305 0.750277 Zn\n0.500992 0.000678 0.000433 Fe\n0.999003 0.500569 0.500425 Fe\n0.732278 0.735642 0.444203 O\n0.767680 0.235720 0.944184 O\n0.763259 0.228242 0.555413 O\n0.503004 0.927673 0.745253 O\n0.498102 0.139894 0.254982 O\n0.224048 0.226808 0.944377 O\n0.271168 0.719301 0.055131 O\n0.228865 0.219365 0.555144 O\n0.736758 0.728218 0.055410 O\n0.001901 0.639915 0.754987 O\n0.275916 0.726810 0.444441 O\n0.997052 0.427505 0.245252 O\n",
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{
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"created_at": "2022-09-04T14:36:06.291169Z",
"updated_at": "2022-09-04T14:36:06.291191Z",
"structure_string": "Ba4 V1 Re1\n1.0\n0.000000 4.773078 4.773078\n4.773078 0.000000 4.773078\n4.773078 4.773078 -0.000000\nBa V Re\n4 1 1\ndirect\n0.126269 0.624578 0.624578 Ba\n0.624578 0.624578 0.624578 Ba\n0.624578 0.126269 0.624578 Ba\n0.624578 0.624578 0.126269 Ba\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Re\n",
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{
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"created_at": "2022-09-04T14:38:05.556590Z",
"updated_at": "2022-09-04T14:38:05.556619Z",
"structure_string": "Li4 Mn1 Cr5 O12\n1.0\n2.507596 4.355804 0.040889\n-2.500777 4.339376 0.020445\n0.040008 0.069495 9.988542\nLi Mn Cr O\n4 1 5 12\ndirect\n0.148682 0.499325 0.746916 Li\n0.351992 0.499325 0.253085 Li\n0.648008 0.500674 0.746916 Li\n0.851317 0.500674 0.253085 Li\n0.000000 0.000000 0.000000 Mn\n0.160508 0.678984 0.500000 Cr\n0.663242 0.673517 0.000000 Cr\n0.336758 0.326483 0.000000 Cr\n0.839492 0.321015 0.500000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.997757 0.334140 0.895012 O\n0.319800 -0.000000 0.099812 O\n0.668102 0.334141 0.104988 O\n0.834587 0.655456 0.607654 O\n0.162190 -0.000001 0.604797 O\n0.002243 0.665859 0.104989 O\n0.509955 0.655456 0.392346 O\n0.165413 0.344543 0.392346 O\n0.331898 0.665858 0.895012 O\n0.680200 -0.000002 0.900188 O\n0.490045 0.344543 0.607654 O\n0.837810 -0.000001 0.395203 O\n",
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"formula_full": "Li4 Mn1 Cr5 O12",
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{
"id": "jvasp-13895",
"created_at": "2022-09-04T14:36:59.415499Z",
"updated_at": "2022-09-04T14:36:59.415523Z",
"structure_string": "Ce2 Sn4 Ir4\n1.0\n4.452264 0.000000 -0.000000\n0.000000 4.452264 0.000000\n-0.000000 0.000000 10.970300\nCe Sn Ir\n2 4 4\ndirect\n0.500000 0.000000 0.753102 Ce\n0.000000 0.500000 0.246898 Ce\n0.500000 0.000000 0.131143 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.868857 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.634923 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.365077 Ir\n",
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},
{
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"created_at": "2022-09-04T14:38:46.526563Z",
"updated_at": "2022-09-04T14:38:46.526586Z",
"structure_string": "Li4 Ti3 V3 O12\n1.0\n4.940631 0.000521 1.131918\n1.489398 5.640553 1.248306\n-0.014172 -0.019128 7.796165\nLi Ti V O\n4 3 3 12\ndirect\n0.502149 0.165014 0.334444 Li\n0.497852 0.834985 0.665557 Li\n0.993558 0.334485 0.166004 Li\n0.006443 0.665513 0.833998 Li\n0.516392 0.329752 0.667265 Ti\n0.500000 -0.000000 0.000000 Ti\n0.483609 0.670246 0.332737 Ti\n0.000000 0.500000 0.500001 V\n0.994510 0.170795 0.829045 V\n0.005491 0.829204 0.170956 V\n0.264159 0.989218 0.239107 O\n0.257353 0.313003 0.906396 O\n0.746196 0.811852 0.408347 O\n0.760753 0.141353 0.078325 O\n0.253805 0.188147 0.591655 O\n0.757668 0.491834 0.739076 O\n0.735842 0.010781 0.760895 O\n0.733001 0.357316 0.420459 O\n0.266999 0.642683 0.579542 O\n0.742648 0.686996 0.093605 O\n0.242332 0.508165 0.260925 O\n0.239248 0.858646 0.921676 O\n",
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{
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{
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"created_at": "2022-09-04T14:36:35.866619Z",
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"structure_string": "Li2 Bi2 B4 O12\n1.0\n0.000000 4.590261 0.000841\n5.889940 0.000000 0.000000\n0.000000 -4.207652 -8.042395\nLi Bi B O\n2 2 4 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.733689 0.136069 0.741231 B\n0.266311 0.636069 0.758768 B\n0.733689 0.363931 0.241232 B\n0.266311 0.863931 0.258768 B\n0.544648 0.813050 0.405535 O\n0.455352 0.313050 0.094465 O\n0.748081 0.315391 0.394200 O\n0.009780 0.047647 0.739075 O\n0.990220 0.952353 0.260925 O\n0.748081 0.184609 0.894199 O\n0.544648 0.686950 0.905534 O\n0.455352 0.186950 0.594465 O\n0.251919 0.815391 0.105800 O\n0.009780 0.452353 0.239075 O\n0.251919 0.684609 0.605800 O\n0.990220 0.547647 0.760924 O\n",
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{
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"created_at": "2022-09-04T14:38:30.040166Z",
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"structure_string": "Nd4 Mg2 Ni4\n1.0\n7.506559 0.000000 0.000000\n0.000000 7.506559 -0.000000\n0.000000 0.000000 3.858150\nNd Mg Ni\n4 2 4\ndirect\n0.326299 0.826299 0.500000 Nd\n0.826299 0.673701 0.500000 Nd\n0.173701 0.326299 0.500000 Nd\n0.673701 0.173701 0.500000 Nd\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.120811 0.620811 0.000000 Ni\n0.620811 0.879189 0.000000 Ni\n0.879189 0.379189 0.000000 Ni\n0.379189 0.120811 0.000000 Ni\n",
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{
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"created_at": "2022-09-04T14:37:31.820907Z",
"updated_at": "2022-09-04T14:37:31.820928Z",
"structure_string": "Ca6 Ge2 O1\n1.0\n4.772465 4.772465 0.000000\n4.772465 -0.000000 -4.772465\n-0.000000 4.772465 -4.772465\nCa Ge O\n6 2 1\ndirect\n0.996814 0.503188 0.996814 Ca\n0.503188 0.996814 0.996814 Ca\n0.996814 0.996814 0.503188 Ca\n0.503188 0.996814 0.503188 Ca\n0.996814 0.503188 0.503188 Ca\n0.503188 0.503188 0.996814 Ca\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.750001 0.750001 0.750001 O\n",
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}
]
}