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{
"id": "jvasp-94879",
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"structure_string": "Mn1 Ga2 Se4\n1.0\n5.498163 -0.000000 -0.000000\n-0.000000 5.498163 -0.000000\n-2.749081 -2.749081 5.763393\nMn Ga Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.250000 0.500000 Ga\n0.250000 0.749999 0.500000 Ga\n0.850239 0.850239 0.240835 Se\n0.390595 0.390595 0.240835 Se\n0.149760 0.609404 0.759165 Se\n0.609404 0.149760 0.759165 Se\n",
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{
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"structure_string": "Ca2 Ga1 Si1\n1.0\n5.916616 0.001346 0.000000\n-4.261171 4.104725 0.000000\n0.000000 0.000000 4.098433\nCa Ga Si\n2 1 1\ndirect\n0.360335 0.639664 0.500000 Ca\n0.640928 0.359073 0.000000 Ca\n0.069266 0.930733 0.500000 Ga\n0.929473 0.070529 0.000000 Si\n",
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{
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"structure_string": "Nd2 Tl2 Zn2\n1.0\n4.760961 0.000000 0.000000\n-2.380481 4.123257 -0.000000\n0.000000 -0.000000 7.607404\nNd Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.333336 0.666673 0.250000 Tl\n0.666664 0.333328 0.750000 Tl\n0.333333 0.666666 0.750000 Zn\n0.666667 0.333335 0.250000 Zn\n",
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{
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"created_at": "2022-09-04T14:35:48.468725Z",
"updated_at": "2022-09-04T14:35:48.468752Z",
"structure_string": "Mg1 In2\n1.0\n3.252197 -0.027522 -6.170277\n-0.223380 3.244633 -6.170277\n0.025911 0.027522 6.974843\nMg In\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.339832 0.339832 -0.000000 In\n0.660169 0.660168 -0.000000 In\n",
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"volume": 74.67032078703856,
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{
"id": "jvasp-102582",
"created_at": "2022-09-04T14:36:50.166564Z",
"updated_at": "2022-09-04T14:36:50.166594Z",
"structure_string": "Y3 Si1\n1.0\n4.634993 -0.000000 0.000000\n0.000000 4.634993 0.000000\n-0.000000 0.000000 4.634993\nY Si\n3 1\ndirect\n-0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n0.000000 0.000000 0.000000 Si\n",
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"volume": 99.57429672795632,
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{
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"created_at": "2022-09-04T14:38:03.824796Z",
"updated_at": "2022-09-04T14:38:03.824821Z",
"structure_string": "Tb1 Tm1 Hg2\n1.0\n-0.000000 3.678823 3.678823\n3.678823 0.000000 3.678823\n3.678823 3.678823 -0.000000\nTb Tm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.749999 0.749999 Tm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-79162",
"created_at": "2022-09-04T14:37:51.134843Z",
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"structure_string": "Na1 Mg3\n1.0\n6.675162 0.141042 0.000000\n-1.607717 2.784648 0.000000\n0.000000 0.000000 5.292591\nNa Mg\n1 3\ndirect\n0.158672 0.658672 0.250000 Na\n0.658961 0.658961 0.250000 Mg\n0.349408 0.349408 0.750000 Mg\n0.832960 0.332961 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:38:02.012513Z",
"updated_at": "2022-09-04T14:38:02.012534Z",
"structure_string": "Ti2 P2 Cl18\n1.0\n6.822463 -0.065378 0.056659\n-0.889405 8.803935 0.084756\n-1.051659 -1.865178 9.098709\nTi P Cl\n2 2 18\ndirect\n0.381486 0.365314 0.318976 Ti\n0.618513 0.634685 0.681025 Ti\n0.048943 0.189094 0.776978 P\n0.951056 0.810905 0.223023 P\n0.736733 0.942717 0.233229 Cl\n0.263266 0.057282 0.766772 Cl\n0.063830 0.801225 0.421475 Cl\n0.936169 0.198774 0.578525 Cl\n0.714858 0.485282 0.449570 Cl\n0.158546 0.902355 0.121020 Cl\n0.285141 0.514717 0.550431 Cl\n0.515498 0.240456 0.122873 Cl\n0.053212 0.287817 0.242888 Cl\n0.841453 0.097644 0.878980 Cl\n0.585398 0.839044 0.560752 Cl\n0.414601 0.160955 0.439249 Cl\n0.625109 0.413758 0.783006 Cl\n0.374889 0.586241 0.216994 Cl\n0.844553 0.604268 0.113315 Cl\n0.946787 0.712182 0.757113 Cl\n0.484501 0.759543 0.877128 Cl\n0.155446 0.395731 0.886685 Cl\n",
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],
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"formula_full": "Ti2 P2 Cl18",
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{
"id": "jvasp-113096",
"created_at": "2022-09-04T14:38:42.227018Z",
"updated_at": "2022-09-04T14:38:42.227034Z",
"structure_string": "Ho4 Fe1 Sn8\n1.0\n4.407680 -0.000000 0.000000\n0.000000 4.441799 0.000000\n-0.000000 -0.000000 16.530861\nHo Fe Sn\n4 1 8\ndirect\n0.000000 0.000000 0.095654 Ho\n-0.000000 0.500000 0.603936 Ho\n0.500000 0.500000 0.394390 Ho\n0.500000 0.000000 0.900637 Ho\n0.000000 0.000000 0.306133 Fe\n0.000000 0.000000 0.454904 Sn\n-0.000000 0.500000 0.933578 Sn\n0.500000 0.500000 0.060162 Sn\n0.500000 0.000000 0.575697 Sn\n-0.000000 0.500000 0.236257 Sn\n0.000000 0.000000 0.751442 Sn\n0.500000 0.000000 0.235722 Sn\n0.500000 0.500000 0.754490 Sn\n",
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{
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"created_at": "2022-09-04T14:37:39.128261Z",
"updated_at": "2022-09-04T14:37:39.128280Z",
"structure_string": "Re4 S2 Cl24\n1.0\n0.000000 8.274335 -0.020070\n10.729669 0.000000 0.000000\n0.000000 -0.735802 -8.410948\nRe S Cl\n4 2 24\ndirect\n0.145954 0.250000 0.386612 Re\n0.645393 0.750000 0.395746 Re\n0.854046 0.750000 0.613389 Re\n0.354607 0.250000 0.604254 Re\n0.821252 0.250000 0.066226 S\n0.178748 0.750000 0.933774 S\n0.409372 0.750000 0.869753 Cl\n0.948215 0.404989 0.337431 Cl\n0.336895 0.075801 0.405403 Cl\n0.806167 0.750000 0.885184 Cl\n0.181773 0.898949 0.085233 Cl\n0.051784 0.595011 0.662569 Cl\n0.378058 0.406108 0.790580 Cl\n0.939110 0.750000 0.343475 Cl\n0.663105 0.575801 0.594597 Cl\n0.060890 0.250000 0.656525 Cl\n0.663105 0.924199 0.594597 Cl\n0.818227 0.398949 0.914767 Cl\n0.590628 0.250000 0.130247 Cl\n0.621941 0.593892 0.209420 Cl\n0.818227 0.101051 0.914767 Cl\n0.336895 0.424199 0.405403 Cl\n0.375805 0.750000 0.438039 Cl\n0.948215 0.095011 0.337431 Cl\n0.378058 0.093892 0.790580 Cl\n0.624195 0.250000 0.561961 Cl\n0.181773 0.601051 0.085233 Cl\n0.621941 0.906108 0.209420 Cl\n0.193833 0.250000 0.114816 Cl\n0.051784 0.904989 0.662569 Cl\n",
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{
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"structure_string": "Yb1 Pr1 Ag2\n1.0\n0.000000 3.678935 3.678940\n3.678937 0.000001 3.678939\n3.678938 3.678935 0.000000\nYb Pr Ag\n1 1 2\ndirect\n0.749999 0.750002 0.749999 Yb\n0.250000 0.250001 0.250000 Pr\n0.499999 0.500001 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
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{
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"created_at": "2022-09-04T14:36:41.648632Z",
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"structure_string": "Mn1 Hg2 S3\n1.0\n4.133577 0.000000 0.000000\n-2.066789 3.579783 0.000000\n-0.000000 -0.000000 10.095220\nMn Hg S\n1 2 3\ndirect\n0.333333 0.666666 0.662339 Mn\n0.000000 0.000000 0.995618 Hg\n0.666667 0.333333 0.345166 Hg\n0.000000 0.000000 0.248674 S\n0.666667 0.333333 0.600566 S\n0.333333 0.666666 0.897638 S\n",
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