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{
"id": "jvasp-65011",
"created_at": "2022-09-04T14:35:49.892344Z",
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"structure_string": "Sr1 Mg4 Be1\n1.0\n0.000000 4.242342 4.242342\n4.242342 0.000000 4.242342\n4.242342 4.242342 -0.000000\nSr Mg Be\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.122625 0.625792 0.625792 Mg\n0.625792 0.625792 0.625792 Mg\n0.625792 0.122625 0.625792 Mg\n0.625792 0.625792 0.122625 Mg\n0.000000 0.000000 0.000000 Be\n",
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{
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"structure_string": "Ca1 Bi1 F6\n1.0\n5.049288 0.228447 3.581086\n1.972686 4.653601 3.581085\n0.328583 0.228447 6.181546\nCa Bi F\n1 1 6\ndirect\n0.500000 0.500000 0.500001 Ca\n0.000000 0.000000 0.000000 Bi\n0.401802 0.085677 0.754582 F\n0.085677 0.754581 0.401803 F\n0.245419 0.598198 0.914324 F\n0.914323 0.245420 0.598199 F\n0.598199 0.914324 0.245420 F\n0.754582 0.401802 0.085677 F\n",
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{
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"created_at": "2022-09-04T14:35:41.048650Z",
"updated_at": "2022-09-04T14:35:41.048673Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
"nsites": 13,
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"elements": [
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"density": 4.449349676303782,
"density_atomic": 0.03620292627704166,
"volume": 359.08699480583266,
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"formula_full": "Rb2 Hg2 Pd1 Cl8",
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"spacegroup": 12
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{
"id": "jvasp-50168",
"created_at": "2022-09-04T14:36:35.953632Z",
"updated_at": "2022-09-04T14:36:35.953656Z",
"structure_string": "K2 Rb2 O2\n1.0\n4.613406 0.000000 0.000000\n0.000000 4.613406 0.000000\n0.000000 0.000000 6.711804\nK Rb O\n2 2 2\ndirect\n0.000000 0.500000 0.393080 K\n0.500000 0.000000 0.606920 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.760477 O\n0.500000 0.000000 0.239523 O\n",
"nsites": 6,
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"formula_full": "K2 Rb2 O2",
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{
"id": "jvasp-99527",
"created_at": "2022-09-04T14:36:11.928994Z",
"updated_at": "2022-09-04T14:36:11.929006Z",
"structure_string": "Na3 Au1 F6\n1.0\n5.220500 -0.000000 3.014057\n1.740167 4.921935 3.014057\n-0.000000 -0.000000 6.028114\nNa Au F\n3 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.752349 0.247651 0.247651 F\n0.247651 0.247651 0.752349 F\n0.247651 0.752349 0.752349 F\n0.247651 0.752349 0.247651 F\n0.752349 0.247651 0.752349 F\n0.752350 0.752349 0.247651 F\n",
"nsites": 10,
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],
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"density": 4.073043235425031,
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"formula_full": "Na3 Au1 F6",
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{
"id": "jvasp-93095",
"created_at": "2022-09-04T14:36:02.730543Z",
"updated_at": "2022-09-04T14:36:02.730576Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n8.359936 0.111553 0.000000\n-4.083360 7.295694 0.000000\n0.000000 0.000000 3.272517\nRb Mg B\n1 6 1\ndirect\n0.161441 0.338558 0.250000 Rb\n0.170785 0.940324 0.250000 Mg\n0.559676 0.329215 0.250000 Mg\n0.713539 0.786460 0.250000 Mg\n0.372793 0.792472 0.750001 Mg\n0.707528 0.127206 0.750001 Mg\n0.913842 0.586158 0.750001 Mg\n0.400396 0.099604 0.750001 B\n",
"nsites": 8,
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"elements": [
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"density": 1.9992944114709357,
"density_atomic": 0.039783873599704304,
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"spacegroup": 38
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{
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"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
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"volume": 151.07257701634566,
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{
"id": "jvasp-92187",
"created_at": "2022-09-04T14:35:44.914189Z",
"updated_at": "2022-09-04T14:35:44.914225Z",
"structure_string": "Ca1 Ce1 Mg6\n1.0\n6.808832 -0.001815 0.000000\n-3.405988 5.895715 0.000000\n0.000000 0.000000 5.236010\nCa Ce Mg\n1 1 6\ndirect\n0.083123 0.416876 0.250000 Ca\n0.416859 0.083142 0.750000 Ce\n0.078951 0.914738 0.250000 Mg\n0.585261 0.421048 0.250000 Mg\n0.585674 0.914326 0.250000 Mg\n0.432685 0.591087 0.750000 Mg\n0.908912 0.067315 0.750000 Mg\n0.908530 0.591469 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 2.576060073449508,
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"formula_full": "Ca1 Ce1 Mg6",
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},
{
"id": "jvasp-65213",
"created_at": "2022-09-04T14:35:48.270517Z",
"updated_at": "2022-09-04T14:35:48.270548Z",
"structure_string": "Mg1 Be1 Cu4\n1.0\n-0.000000 3.417629 3.417629\n3.417629 0.000000 3.417629\n3.417629 3.417629 -0.000000\nMg Be Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.123864 0.625379 0.625379 Cu\n0.625379 0.625379 0.625379 Cu\n0.625379 0.123864 0.625379 Cu\n0.625379 0.625379 0.123864 Cu\n",
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"formula_full": "Mg1 Be1 Cu4",
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{
"id": "jvasp-94106",
"created_at": "2022-09-04T14:36:10.585291Z",
"updated_at": "2022-09-04T14:36:10.585324Z",
"structure_string": "Mg6 Ti1 Ni1\n1.0\n6.248836 -0.142753 0.000000\n-3.248046 5.340274 0.000000\n0.000000 0.000000 4.737939\nMg Ti Ni\n6 1 1\ndirect\n0.175454 0.844163 0.250000 Mg\n0.655836 0.324545 0.250000 Mg\n0.672451 0.827549 0.250000 Mg\n0.319758 0.663778 0.750000 Mg\n0.836223 0.180241 0.750000 Mg\n0.832990 0.667010 0.750000 Mg\n0.308668 0.191332 0.750000 Ti\n0.198620 0.301380 0.250000 Ni\n",
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{
"id": "jvasp-63992",
"created_at": "2022-09-04T14:36:11.520624Z",
"updated_at": "2022-09-04T14:36:11.520651Z",
"structure_string": "Ba1 Ca1 Te1\n1.0\n0.000000 4.130458 4.130458\n4.130458 -0.000000 4.130458\n4.130458 4.130458 -0.000000\nBa Ca Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
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{
"id": "jvasp-38187",
"created_at": "2022-09-04T14:37:44.406305Z",
"updated_at": "2022-09-04T14:37:44.406315Z",
"structure_string": "Rb3 Tm1\n1.0\n-3.146473 3.146473 6.253244\n3.146473 -3.146473 6.253244\n3.146473 3.146473 -6.253244\nRb Tm\n3 1\ndirect\n0.750000 0.250000 0.500001 Rb\n0.250000 0.750000 0.500001 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tm\n",
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