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{
"id": "jvasp-14121",
"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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"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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"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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"volume": 99.57645815600326,
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"formula_full": "Tb1 Tm1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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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"formula_full": "Y3 Si1",
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"spacegroup": 221
},
{
"id": "jvasp-106037",
"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",
"nsites": 3,
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"volume": 74.67032078703856,
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{
"id": "jvasp-93514",
"created_at": "2022-09-04T14:35:49.219216Z",
"updated_at": "2022-09-04T14:35:49.219240Z",
"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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{
"id": "jvasp-113786",
"created_at": "2022-09-04T14:38:49.770948Z",
"updated_at": "2022-09-04T14:38:49.770957Z",
"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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},
{
"id": "jvasp-94879",
"created_at": "2022-09-04T14:36:20.847072Z",
"updated_at": "2022-09-04T14:36:20.847099Z",
"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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"volume": 174.22619681661632,
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"formula_full": "Mn1 Ga2 Se4",
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{
"id": "jvasp-38914",
"created_at": "2022-09-04T14:37:54.866772Z",
"updated_at": "2022-09-04T14:37:54.866806Z",
"structure_string": "Ho4 S6\n1.0\n-6.847075 -0.000000 -0.000000\n3.423539 -5.929742 0.000000\n-3.423539 1.976581 6.130153\nHo S\n4 6\ndirect\n0.649573 0.350426 0.051283 Ho\n0.850429 0.149573 0.448717 Ho\n0.149573 0.850427 0.551284 Ho\n0.350428 0.649571 0.948717 Ho\n0.552144 0.750000 0.250000 S\n0.947855 0.447856 0.250000 S\n0.249999 0.052143 0.250000 S\n0.750002 0.947855 0.750001 S\n0.052145 0.552145 0.750001 S\n0.447855 0.250000 0.750001 S\n",
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"formula_full": "Ho4 S6",
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{
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"structure_string": "Zr2 Br2\n1.0\n-1.723706 -2.985608 0.000232\n-1.723758 2.985638 0.000000\n0.000380 0.000219 -9.672322\nZr Br\n2 2\ndirect\n0.333285 0.666644 0.371784 Zr\n0.666716 0.333358 0.628216 Zr\n0.333475 0.666738 0.829109 Br\n0.666527 0.333264 0.170891 Br\n",
"nsites": 4,
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},
{
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"updated_at": "2022-09-04T14:35:45.120865Z",
"structure_string": "Ce4 Bi2 N2\n1.0\n4.662849 0.000000 -0.000000\n-0.000000 4.662849 -0.000000\n0.000000 0.000000 9.157778\nCe Bi N\n4 2 2\ndirect\n0.750000 0.250000 0.000000 Ce\n0.250000 0.750000 0.000000 Ce\n0.750000 0.750000 0.669330 Ce\n0.250000 0.250000 0.330670 Ce\n0.750000 0.750000 0.302083 Bi\n0.250000 0.250000 0.697917 Bi\n0.750000 0.750000 0.910792 N\n0.250000 0.250000 0.089208 N\n",
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{
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"structure_string": "Hf1 Se3\n1.0\n5.882484 1.221951 -0.176456\n-2.929576 -5.386034 -0.348247\n1.323909 -3.070105 -3.887416\nHf Se\n1 3\ndirect\n0.144138 0.679565 0.420239 Hf\n0.793021 -0.006255 0.071973 Se\n0.087156 0.074973 0.366127 Se\n0.432793 0.016440 0.707994 Se\n",
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