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{
"id": "jvasp-66336",
"created_at": "2022-09-04T14:35:58.941729Z",
"updated_at": "2022-09-04T14:35:58.941754Z",
"structure_string": "Ba4 Ta1 Pt1\n1.0\n0.000000 4.763490 4.763490\n4.763490 -0.000000 4.763490\n4.763490 4.763490 -0.000000\nBa Ta Pt\n4 1 1\ndirect\n0.126665 0.624445 0.624445 Ba\n0.624445 0.624445 0.624445 Ba\n0.624445 0.126665 0.624445 Ba\n0.624445 0.624445 0.126665 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Pt\n",
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{
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"structure_string": "Rb2 K1 Bi1 F6\n1.0\n5.834021 -0.000000 3.368274\n1.944674 5.500369 3.368274\n-0.000000 -0.000000 6.736547\nRb K Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Bi\n0.762324 0.762325 0.237675 F\n0.762324 0.237676 0.237675 F\n0.237675 0.762325 0.762324 F\n0.237675 0.237676 0.762325 F\n0.762324 0.237676 0.762324 F\n0.237675 0.762325 0.237675 F\n",
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{
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"created_at": "2022-09-04T14:35:53.391288Z",
"updated_at": "2022-09-04T14:35:53.391325Z",
"structure_string": "Ca2 Zr2 Ge2 O10\n1.0\n6.932075 -0.058722 -2.859198\n-0.098251 4.649850 3.545618\n0.101980 -4.581451 3.211276\nCa Zr Ge O\n2 2 2 10\ndirect\n0.795128 0.817423 0.153168 Ca\n0.204873 0.182578 0.846832 Ca\n0.500000 0.500001 0.500000 Zr\n0.000000 0.500001 0.500000 Zr\n0.251219 0.825889 0.185271 Ge\n0.748782 0.174113 0.814730 Ge\n0.249809 0.430004 0.602598 O\n0.750192 0.569997 0.397403 O\n0.052749 0.743839 0.899362 O\n0.947251 0.256163 0.100638 O\n0.396712 0.127173 0.212409 O\n0.603290 0.872829 0.787592 O\n0.620425 0.389299 0.810881 O\n0.379576 0.610703 0.189120 O\n0.870138 0.160661 0.567252 O\n0.129863 0.839340 0.432749 O\n",
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],
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"volume": 216.14358704021188,
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"formula_full": "Ca2 Zr2 Ge2 O10",
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{
"id": "jvasp-108948",
"created_at": "2022-09-04T14:37:59.761964Z",
"updated_at": "2022-09-04T14:37:59.761996Z",
"structure_string": "Ce3 Mg2 In1 Au3\n1.0\n7.586204 0.014874 0.000000\n-3.695698 6.625143 0.000000\n-0.000000 -0.000000 4.295829\nCe Mg In Au\n3 2 1 3\ndirect\n0.576925 0.576925 -0.000000 Ce\n0.414718 0.006366 -0.000000 Ce\n0.006366 0.414718 -0.000000 Ce\n0.757775 0.000414 0.500000 Mg\n0.000414 0.757775 0.500000 Mg\n0.243518 0.243518 0.500000 In\n0.340459 0.682945 0.500000 Au\n0.682945 0.340459 0.500000 Au\n0.976775 0.976775 -0.000000 Au\n",
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],
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"density": 9.024550725425014,
"density_atomic": 0.04163906941573082,
"volume": 216.14315896790652,
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"formula_full": "Ce3 Mg2 In1 Au3",
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{
"id": "jvasp-66212",
"created_at": "2022-09-04T14:35:48.914982Z",
"updated_at": "2022-09-04T14:35:48.915008Z",
"structure_string": "Ba4 Mn1 Rh1\n1.0\n0.000000 4.763202 4.763202\n4.763202 0.000000 4.763202\n4.763202 4.763202 0.000000\nBa Mn Rh\n4 1 1\ndirect\n0.123819 0.625393 0.625393 Ba\n0.625393 0.625393 0.625393 Ba\n0.625393 0.123819 0.625393 Ba\n0.625393 0.625393 0.123819 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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{
"id": "jvasp-90191",
"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
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"formula_full": "Rb2 Mn1 Cl4 O2",
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{
"id": "jvasp-12617",
"created_at": "2022-09-04T14:37:07.612246Z",
"updated_at": "2022-09-04T14:37:07.612261Z",
"structure_string": "Na4 Co2 Ge2 O8\n1.0\n5.377936 0.000000 0.000000\n0.000000 6.234499 0.000000\n0.000000 0.000000 6.445467\nNa Co Ge O\n4 2 2 8\ndirect\n0.011540 0.664480 0.747782 Na\n0.511541 0.335520 0.247782 Na\n0.511541 0.335520 0.752219 Na\n0.011540 0.664480 0.252219 Na\n0.005414 0.152699 0.000000 Co\n0.505414 0.847301 0.500000 Co\n0.499317 0.847886 0.000000 Ge\n-0.000684 0.152114 0.500000 Ge\n0.668229 0.125124 0.500000 O\n0.168229 0.874876 0.000000 O\n0.141841 0.894195 0.500000 O\n0.641842 0.105805 0.000000 O\n0.581060 0.697317 0.769809 O\n0.581060 0.697317 0.230192 O\n0.081060 0.302683 0.269809 O\n0.081060 0.302683 0.730192 O\n",
"nsites": 16,
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"formula_full": "Na4 Co2 Ge2 O8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 31
},
{
"id": "jvasp-104503",
"created_at": "2022-09-04T14:37:07.046539Z",
"updated_at": "2022-09-04T14:37:07.046568Z",
"structure_string": "K2 Rb1 Y1 F6\n1.0\n5.833346 -0.000000 3.367884\n1.944449 5.499731 3.367884\n-0.000000 -0.000000 6.735768\nK Rb Y F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 Y\n0.773159 0.226841 0.226840 F\n0.226841 0.226841 0.773159 F\n0.226842 0.773159 0.773158 F\n0.226842 0.773159 0.226841 F\n0.773159 0.226841 0.773158 F\n0.773160 0.773159 0.226840 F\n",
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{
"id": "jvasp-55508",
"created_at": "2022-09-04T14:38:32.876623Z",
"updated_at": "2022-09-04T14:38:32.876648Z",
"structure_string": "In4 Si4 O14\n1.0\n5.833274 0.000000 3.367843\n1.944424 5.499664 3.367843\n0.000000 0.000000 6.735685\nIn Si O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 -0.000000 -0.000000 In\n-0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.499999 0.500000 0.500000 Si\n0.499999 0.500000 0.000000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 -0.000000 0.500000 Si\n0.571016 0.178983 0.178983 O\n0.178983 0.178983 0.571017 O\n0.571016 0.571016 0.178983 O\n0.428983 0.821016 0.821017 O\n0.125000 0.125000 0.125000 O\n0.571016 0.178983 0.571017 O\n0.178983 0.571016 0.178983 O\n0.428983 0.821016 0.428984 O\n0.428983 0.428983 0.821017 O\n0.821016 0.821016 0.428984 O\n0.821016 0.428983 0.821017 O\n0.178983 0.571016 0.571017 O\n0.874999 0.874999 0.875001 O\n0.821016 0.428983 0.428984 O\n",
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{
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"created_at": "2022-09-04T14:36:21.532653Z",
"updated_at": "2022-09-04T14:36:21.532680Z",
"structure_string": "P4 Pb2 Au4\n1.0\n1.651587 -5.765112 -0.000000\n1.651587 5.765112 0.000000\n0.000000 -0.000000 11.346961\nP Pb Au\n4 2 4\ndirect\n0.201228 0.798774 0.956164 P\n0.798774 0.201228 0.456164 P\n0.201228 0.798774 0.543835 P\n0.798774 0.201228 0.043836 P\n0.477411 0.522591 0.750000 Pb\n0.522591 0.477411 0.250000 Pb\n0.223967 0.776035 0.750000 Au\n0.776035 0.223967 0.250000 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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{
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"created_at": "2022-09-04T14:37:05.511921Z",
"updated_at": "2022-09-04T14:37:05.511939Z",
"structure_string": "Lu4 Ga4 O12\n1.0\n5.186642 0.000000 0.000000\n0.000000 5.532283 0.000000\n0.000000 0.000000 7.530382\nLu Ga O\n4 4 12\ndirect\n0.022164 0.073642 0.990941 Lu\n0.477836 0.573642 0.990941 Lu\n0.522163 0.426357 0.490941 Lu\n0.977836 0.926357 0.490941 Lu\n0.000002 0.499988 0.240931 Ga\n0.499998 0.999988 0.240931 Ga\n0.500001 0.000012 0.740931 Ga\n-0.000002 0.500012 0.740931 Ga\n0.811425 0.191902 0.303278 O\n0.688574 0.691901 0.303278 O\n0.688603 0.691960 0.678553 O\n0.624014 0.953376 0.990925 O\n0.375985 0.046623 0.490925 O\n0.188603 0.808039 0.178553 O\n0.311425 0.308098 0.803278 O\n0.188574 0.808098 0.803278 O\n0.811396 0.191961 0.678553 O\n0.124014 0.546623 0.490925 O\n0.311397 0.308039 0.178553 O\n0.875985 0.453377 0.990925 O\n",
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{
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"created_at": "2022-09-04T14:37:12.217026Z",
"updated_at": "2022-09-04T14:37:12.217051Z",
"structure_string": "Mg1 Co4 S8\n1.0\n6.680892 0.063636 0.044998\n3.395556 5.881275 0.000000\n3.395556 1.960425 5.544920\nMg Co S\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000001 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000001 0.500000 Co\n0.262844 0.262894 0.262894 S\n0.262844 0.262894 0.711370 S\n0.262844 0.711370 0.262894 S\n0.716212 0.261262 0.261262 S\n0.283788 0.738738 0.738738 S\n0.737157 0.737106 0.288630 S\n0.737156 0.288631 0.737107 S\n0.737157 0.737107 0.737107 S\n",
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]
}