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{
"id": "jvasp-12031",
"created_at": "2022-09-04T14:37:11.443613Z",
"updated_at": "2022-09-04T14:37:11.443634Z",
"structure_string": "Y2 Ga2 I2\n1.0\n4.184375 -0.000000 0.000000\n-2.092187 3.623775 -0.000000\n-0.000000 -0.000000 11.435810\nY Ga I\n2 2 2\ndirect\n0.000000 0.000000 0.823845 Y\n0.000000 0.000000 0.176155 Y\n0.333333 0.666668 0.968885 Ga\n0.666666 0.333333 0.031115 Ga\n0.666666 0.333333 0.649656 I\n0.333333 0.666668 0.350344 I\n",
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"structure_string": "K4 Ta2 Cu2 Se8\n1.0\n5.601555 -0.000000 1.341837\n2.800778 6.728814 0.670918\n0.021461 0.000000 12.273292\nK Ta Cu Se\n4 2 2 8\ndirect\n0.804911 0.750000 0.390177 K\n0.445088 0.750000 0.109824 K\n0.195088 0.250000 0.609823 K\n0.554911 0.250000 0.890177 K\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.874999 0.250000 0.250000 Cu\n0.125000 0.750000 0.750000 Cu\n0.453442 0.459909 0.366497 Se\n0.220153 0.959909 0.866497 Se\n0.913350 0.540090 0.866497 Se\n0.819939 0.959909 0.633504 Se\n0.086649 0.459909 0.133503 Se\n0.180061 0.040090 0.366497 Se\n0.546558 0.540090 0.633504 Se\n0.779847 0.040090 0.133504 Se\n",
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{
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"created_at": "2022-09-04T14:38:35.987685Z",
"updated_at": "2022-09-04T14:38:35.987719Z",
"structure_string": "Dy10 Pb6\n1.0\n4.502279 -7.798175 0.000000\n4.502279 7.798175 -0.000000\n-0.000000 0.000000 6.585027\nDy Pb\n10 6\ndirect\n0.763475 0.000000 0.750000 Dy\n0.000000 0.236525 0.250000 Dy\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.000000 Dy\n0.236525 0.236525 0.750000 Dy\n0.236525 0.000000 0.250000 Dy\n0.763476 0.763476 0.250000 Dy\n0.000000 0.763475 0.750000 Dy\n0.333333 0.666667 0.500000 Dy\n0.666667 0.333333 0.500000 Dy\n0.605691 0.605691 0.750000 Pb\n0.605691 0.000000 0.250000 Pb\n0.000000 0.605691 0.250000 Pb\n0.394309 0.000000 0.750000 Pb\n0.000000 0.394309 0.750000 Pb\n0.394309 0.394309 0.250000 Pb\n",
"nsites": 16,
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"formula_full": "Dy10 Pb6",
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"formula_anonymous": "A3B5",
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{
"id": "jvasp-28476",
"created_at": "2022-09-04T14:37:17.458414Z",
"updated_at": "2022-09-04T14:37:17.458430Z",
"structure_string": "Mo1 W2 Se4 S2\n1.0\n3.279431 -0.000004 -0.000026\n-1.639719 2.840083 0.000104\n-0.000251 0.000779 27.922468\nMo W Se S\n1 2 4 2\ndirect\n0.666784 0.333571 0.344250 Mo\n0.333204 0.666537 0.114560 W\n0.333316 0.666506 0.582140 W\n0.333443 0.666864 0.404782 Se\n0.666662 0.333221 0.521229 Se\n0.666638 0.333131 0.642973 Se\n0.333469 0.666957 0.283729 Se\n0.666541 0.333223 0.059224 S\n0.666545 0.333192 0.169952 S\n",
"nsites": 9,
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"elements": [
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{
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"created_at": "2022-09-04T14:36:36.663372Z",
"updated_at": "2022-09-04T14:36:36.663400Z",
"structure_string": "Nd1 Mg1\n1.0\n3.866121 0.000000 0.000000\n0.000000 3.866121 0.000000\n0.000000 0.000000 3.866121\nNd Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "jvasp-103628",
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"updated_at": "2022-09-04T14:36:44.755481Z",
"structure_string": "Sr1 Sn3\n1.0\n4.870944 -0.000000 0.000000\n0.000000 4.870944 0.000000\n-0.000000 -0.000000 4.870944\nSr Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 -0.000000 Sn\n",
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{
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"created_at": "2022-09-04T14:38:35.676936Z",
"updated_at": "2022-09-04T14:38:35.676965Z",
"structure_string": "Nd10 Ge6\n1.0\n4.645219 -8.045756 0.000000\n4.645219 8.045756 -0.000000\n-0.000000 -0.000000 6.183964\nNd Ge\n10 6\ndirect\n0.296171 -0.000000 0.749999 Nd\n-0.000000 0.703829 0.250000 Nd\n0.296171 0.296171 0.250000 Nd\n0.703829 0.703829 0.749999 Nd\n-0.000000 0.296171 0.749999 Nd\n0.703829 -0.000000 0.250000 Nd\n0.666667 0.333333 0.749999 Nd\n0.333333 0.666667 0.250000 Nd\n0.333333 0.666667 0.749999 Nd\n0.666667 0.333333 0.250000 Nd\n0.653061 -0.000000 0.749999 Ge\n-0.000000 0.346939 0.250000 Ge\n0.653061 0.653061 0.250000 Ge\n0.346939 0.346939 0.749999 Ge\n-0.000000 0.653061 0.749999 Ge\n0.346939 -0.000000 0.250000 Ge\n",
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{
"id": "jvasp-4349",
"created_at": "2022-09-04T14:36:45.508825Z",
"updated_at": "2022-09-04T14:36:45.508851Z",
"structure_string": "Hg2 Te2\n1.0\n4.334767 0.212056 0.000000\n-0.215318 4.334606 -0.000000\n0.000000 -0.000000 6.135155\nHg Te\n2 2\ndirect\n0.250147 0.749854 0.250000 Hg\n0.749853 0.250148 0.749999 Hg\n0.750131 0.249871 0.250000 Te\n0.249870 0.750131 0.749999 Te\n",
"nsites": 4,
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{
"id": "jvasp-19734",
"created_at": "2022-09-04T14:37:56.501556Z",
"updated_at": "2022-09-04T14:37:56.501575Z",
"structure_string": "Hg2 Te2\n1.0\n4.334767 0.212056 0.000000\n-0.215318 4.334606 0.000000\n0.000000 -0.000000 6.135154\nHg Te\n2 2\ndirect\n0.250147 0.749854 0.250000 Hg\n0.749854 0.250148 0.750000 Hg\n0.750130 0.249871 0.250000 Te\n0.249870 0.750131 0.750000 Te\n",
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{
"id": "jvasp-65246",
"created_at": "2022-09-04T14:36:20.208079Z",
"updated_at": "2022-09-04T14:36:20.208112Z",
"structure_string": "Be1 Cu1 Br4\n1.0\n-0.000000 4.425340 4.425340\n4.425340 -0.000000 4.425340\n4.425340 4.425340 -0.000000\nBe Cu Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Cu\n0.125548 0.624817 0.624817 Br\n0.624817 0.624817 0.624817 Br\n0.624817 0.125548 0.624817 Br\n0.624817 0.624817 0.125548 Br\n",
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"volume": 173.32847879425864,
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"formula_anonymous": "ABC4",
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{
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"created_at": "2022-09-04T14:38:01.590556Z",
"updated_at": "2022-09-04T14:38:01.590583Z",
"structure_string": "Cd2 Sb4 Se6 Br4\n1.0\n4.028155 -0.000000 0.700091\n1.297396 9.728539 4.473659\n0.025315 -0.011317 11.792903\nCd Sb Se Br\n2 4 6 4\ndirect\n0.350683 0.846438 0.452196 Cd\n0.649318 0.153562 0.547803 Cd\n0.046400 0.688081 0.219121 Sb\n0.953601 0.311919 0.780879 Sb\n0.704923 0.683667 0.906487 Sb\n0.295078 0.316333 0.093513 Sb\n0.460656 0.864109 0.214582 Se\n0.900274 0.172034 0.027421 Se\n0.539345 0.135891 0.785417 Se\n0.678201 0.503410 0.140192 Se\n0.099727 0.827966 0.972579 Se\n0.321800 0.496590 0.859808 Se\n0.101987 0.342103 0.453922 Br\n0.898014 0.657897 0.546078 Br\n0.213496 0.923419 0.649590 Br\n0.786505 0.076581 0.350410 Br\n",
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{
"id": "jvasp-11129",
"created_at": "2022-09-04T14:36:49.042566Z",
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"structure_string": "K2 Pr2 Si2 Se8\n1.0\n0.000000 6.818563 0.001438\n6.997282 0.000000 0.000000\n0.000000 -2.753278 -8.476168\nK Pr Si Se\n2 2 2 8\ndirect\n0.766531 0.294274 0.065510 K\n0.233469 0.794274 0.934490 K\n0.729412 0.302787 0.552285 Pr\n0.270588 0.802787 0.447716 Pr\n0.714370 0.773456 0.312932 Si\n0.285630 0.273456 0.687068 Si\n0.527396 0.033359 0.737083 Se\n0.089219 0.271487 0.850337 Se\n0.910780 0.771487 0.149663 Se\n0.487548 0.542654 0.723367 Se\n0.512451 0.042654 0.276633 Se\n0.091533 0.229972 0.428020 Se\n0.908466 0.729972 0.571981 Se\n0.472603 0.533359 0.262918 Se\n",
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}