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"id": "jvasp-99983",
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"structure_string": "In1 Ag2 Sb1 Se4\n1.0\n5.196550 -0.026553 -4.760982\n-1.023939 5.094741 -4.760982\n0.021861 0.026553 7.047737\nIn Ag Sb Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.750000 0.250000 0.500000 Sb\n0.000031 0.500031 0.500000 Se\n0.753507 0.753507 0.000001 Se\n0.499969 -0.000031 0.500000 Se\n0.246493 0.246493 0.000000 Se\n",
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{
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{
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"created_at": "2022-09-04T14:36:58.206371Z",
"updated_at": "2022-09-04T14:36:58.206396Z",
"structure_string": "Al1 In1 Ag2 Se4\n1.0\n5.511212 -0.007450 -4.615505\n-1.206030 5.377639 -4.615505\n0.005972 0.007450 7.188623\nAl In Ag Se\n1 1 2 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 In\n0.750000 0.250000 0.500000 Ag\n0.500000 0.500000 0.000001 Ag\n0.601834 0.636706 0.503163 Se\n0.133543 0.098671 0.496838 Se\n0.901329 0.398166 0.034873 Se\n0.363294 0.866457 0.965128 Se\n",
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"formula_full": "Al1 In1 Ag2 Se4",
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{
"id": "jvasp-103404",
"created_at": "2022-09-04T14:36:49.812650Z",
"updated_at": "2022-09-04T14:36:49.812670Z",
"structure_string": "Tl2 Bi1 Sb1 Te4\n1.0\n4.532570 0.000000 0.000000\n0.000000 7.459808 2.452505\n0.000000 0.020954 8.314513\nTl Bi Sb Te\n2 1 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 -0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.754071 0.224407 Te\n0.000000 0.263808 0.221764 Te\n0.500000 0.245929 0.775592 Te\n0.000000 0.736192 0.778235 Te\n",
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"volume": 280.8982333725806,
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"formula_full": "Tl2 Bi1 Sb1 Te4",
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{
"id": "jvasp-9790",
"created_at": "2022-09-04T14:36:49.402138Z",
"updated_at": "2022-09-04T14:36:49.402161Z",
"structure_string": "Na4 Mg2 Si2 O8\n1.0\n0.000000 5.293648 0.000975\n5.535386 0.000000 0.000000\n0.000000 -5.272587 -7.017876\nNa Mg Si O\n4 2 2 8\ndirect\n0.737581 0.329696 0.249670 Na\n0.485782 0.183288 0.494481 Na\n0.737581 0.670305 0.749671 Na\n0.485782 0.816712 0.994482 Na\n0.001101 0.184900 0.000206 Mg\n0.001101 0.815101 0.500206 Mg\n0.252751 0.313919 0.747666 Si\n0.252751 0.686082 0.247666 Si\n0.303965 0.789947 0.441191 O\n0.303965 0.210054 0.941191 O\n0.980007 0.843764 0.055852 O\n0.980007 0.156237 0.555852 O\n0.590452 0.288581 0.776676 O\n0.147840 0.602459 0.717808 O\n0.147840 0.397542 0.217807 O\n0.590452 0.711419 0.276676 O\n",
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{
"id": "jvasp-105589",
"created_at": "2022-09-04T14:36:49.532790Z",
"updated_at": "2022-09-04T14:36:49.532823Z",
"structure_string": "Li2 Mn1 Co1 O4\n1.0\n2.837287 -0.000483 -0.000268\n-0.001017 4.663060 1.690271\n-0.000566 -0.047274 4.955264\nLi Mn Co O\n2 1 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000001 0.499999 Mn\n-0.000001 0.500000 0.499999 Co\n0.000028 0.756630 0.724630 O\n0.999971 0.243372 0.275369 O\n0.499871 0.258076 0.721270 O\n0.500127 0.741926 0.278729 O\n",
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"formula_full": "Li2 Mn1 Co1 O4",
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{
"id": "jvasp-101148",
"created_at": "2022-09-04T14:36:50.965749Z",
"updated_at": "2022-09-04T14:36:50.965766Z",
"structure_string": "Mn1 V1 Cr2 Te4\n1.0\n4.135045 -0.000000 0.000000\n0.000000 6.077543 0.037852\n0.000000 -0.015725 7.121938\nMn V Cr Te\n1 1 2 4\ndirect\n0.499999 0.499999 0.500000 Mn\n-0.000000 0.500000 -0.000000 V\n0.000000 0.000000 0.000000 Cr\n0.499999 -0.000000 0.500000 Cr\n0.499999 0.750033 0.835883 Te\n-0.000000 0.752015 0.331342 Te\n-0.000000 0.247984 0.668658 Te\n0.499999 0.249965 0.164117 Te\n",
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],
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"formula_full": "Mn1 V1 Cr2 Te4",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-100388",
"created_at": "2022-09-04T14:36:58.163684Z",
"updated_at": "2022-09-04T14:36:58.163694Z",
"structure_string": "In1 Ga1 Ag2 Se4\n1.0\n5.523892 0.000161 -4.653176\n-1.195025 5.393079 -4.653176\n-0.000129 -0.000161 7.222563\nIn Ga Ag Se\n1 1 2 4\ndirect\n0.499999 0.500000 -0.000001 In\n0.749999 0.250000 0.499999 Ga\n0.249999 0.750000 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.104811 0.134475 0.501520 Se\n0.632954 0.603291 0.498478 Se\n0.396708 0.895189 0.029662 Se\n0.865524 0.367046 0.970335 Se\n",
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{
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"created_at": "2022-09-04T14:36:58.196698Z",
"updated_at": "2022-09-04T14:36:58.196720Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n5.026114 -0.220118 0.000000\n2.001757 4.615543 0.000000\n-3.513936 -2.197712 2.851769\nLi Mn Fe O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.749999 0.250000 0.500000 Fe\n0.509720 0.009721 0.500000 O\n0.236488 0.236488 -0.000000 O\n0.990278 0.490279 0.500000 O\n0.763512 0.763512 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:04.136548Z",
"updated_at": "2022-09-04T14:37:04.136575Z",
"structure_string": "Tl2 Sn1 Hg1 Te4\n1.0\n6.810951 0.001602 -1.883695\n-3.943724 5.553025 -1.883695\n-0.000828 -0.001602 7.066637\nTl Sn Hg Te\n2 1 1 4\ndirect\n0.000000 0.500001 0.500001 Tl\n0.500000 0.000000 0.500001 Tl\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000001 Hg\n0.423219 0.423219 0.367828 Te\n0.576782 0.944610 0.000001 Te\n0.944609 0.576782 0.000001 Te\n0.055391 0.055391 0.632174 Te\n",
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{
"id": "jvasp-104973",
"created_at": "2022-09-04T14:36:56.821773Z",
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"structure_string": "Ba2 Co1 Ni1 S4\n1.0\n4.407768 -0.000000 0.000000\n0.000000 4.407768 0.000000\n0.000000 0.000000 8.909288\nBa Co Ni S\n2 1 1 4\ndirect\n0.500000 0.500000 0.198996 Ba\n0.000000 0.000000 0.800160 Ba\n0.500000 0.500000 0.586819 Co\n0.000000 0.000000 0.413845 Ni\n0.500000 0.500000 0.841147 S\n0.000000 0.000000 0.154236 S\n0.500000 0.000000 0.502399 S\n-0.000000 0.500000 0.502399 S\n",
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"created_at": "2022-09-04T14:36:59.357208Z",
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"structure_string": "Ti1 Mn1 Ni4 Sn2\n1.0\n4.116209 0.000208 6.165130\n1.869119 3.667366 6.165130\n0.000339 0.000208 7.412963\nTi Mn Ni Sn\n1 1 4 2\ndirect\n0.500000 0.500001 0.499999 Ti\n0.000000 0.000000 0.000000 Mn\n0.623001 0.623002 0.623000 Ni\n0.126386 0.126386 0.126386 Ni\n0.873614 0.873616 0.873613 Ni\n0.376999 0.377000 0.376998 Ni\n0.251632 0.251633 0.251632 Sn\n0.748367 0.748369 0.748366 Sn\n",
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