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{
"id": "jvasp-107985",
"created_at": "2022-09-04T14:38:30.965991Z",
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"structure_string": "Sr1 La1 Hg2\n1.0\n4.801059 -0.000000 2.771893\n1.600353 4.526482 2.771893\n-0.000000 -0.000000 5.543785\nSr La Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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{
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"structure_string": "Sr2 Ni2 F8\n1.0\n7.413553 0.038507 0.000000\n-6.337936 3.846143 0.000000\n0.000000 0.000000 5.609420\nSr Ni F\n2 2 8\ndirect\n0.652962 0.347038 0.125005 Sr\n0.347038 0.652962 0.625005 Sr\n0.912454 0.087547 0.177519 Ni\n0.087545 0.912454 0.677519 Ni\n0.834890 0.165111 0.887849 F\n0.165109 0.834890 0.387849 F\n0.964149 0.035852 0.518974 F\n0.035850 0.964148 0.018974 F\n0.419179 0.580820 0.198774 F\n0.580820 0.419180 0.698774 F\n0.794919 0.205082 0.375778 F\n0.205080 0.794918 0.875778 F\n",
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{
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"updated_at": "2022-09-04T14:38:38.345375Z",
"structure_string": "Rb2 Na1 Co1 F6\n1.0\n5.090451 -0.000000 2.938973\n1.696817 4.799323 2.938973\n-0.000000 -0.000000 5.877947\nRb Na Co F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n0.225493 0.774507 0.774507 F\n0.225493 0.774507 0.225492 F\n0.774508 0.225492 0.774508 F\n0.225493 0.225492 0.774508 F\n0.774508 0.225492 0.225492 F\n0.774508 0.774507 0.225492 F\n",
"nsites": 10,
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"density_atomic": 0.06963668575438907,
"volume": 143.60246889506396,
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"formula_full": "Rb2 Na1 Co1 F6",
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},
{
"id": "jvasp-114781",
"created_at": "2022-09-04T14:38:43.299928Z",
"updated_at": "2022-09-04T14:38:43.299951Z",
"structure_string": "Rb1 Na1 Cl2\n1.0\n4.390895 0.000000 -0.000000\n-0.000000 4.390895 -0.000000\n-0.000000 -0.000000 6.303019\nRb Na Cl\n1 1 2\ndirect\n0.500000 0.500000 0.507023 Rb\n0.000000 0.000000 0.025228 Na\n0.000000 0.000000 0.473580 Cl\n0.500000 0.500000 0.004169 Cl\n",
"nsites": 4,
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"volume": 121.52194727237972,
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},
{
"id": "jvasp-114789",
"created_at": "2022-09-04T14:38:43.709049Z",
"updated_at": "2022-09-04T14:38:43.709079Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n3.717042 2.146035 3.295729\n-3.717042 2.146035 3.295729\n0.000000 -4.292071 3.295729\nNa Sn Cl\n1 1 3\ndirect\n0.876081 0.876081 0.876078 Na\n0.517734 0.517734 0.517733 Sn\n0.837876 0.837876 0.370195 Cl\n0.837875 0.370197 0.837874 Cl\n0.370197 0.837875 0.837874 Cl\n",
"nsites": 5,
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"elements": [
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},
{
"id": "jvasp-114786",
"created_at": "2022-09-04T14:38:43.369832Z",
"updated_at": "2022-09-04T14:38:43.369865Z",
"structure_string": "Na1 Sn1 Cl1\n1.0\n3.364969 -0.000000 -0.000000\n-0.000000 3.364969 -0.000000\n-0.000000 -0.000000 8.266513\nNa Sn Cl\n1 1 1\ndirect\n0.000000 0.000000 0.616097 Na\n0.000000 0.000000 0.004816 Sn\n0.000000 0.000000 0.310692 Cl\n",
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},
{
"id": "jvasp-110379",
"created_at": "2022-09-04T14:38:38.296758Z",
"updated_at": "2022-09-04T14:38:38.296780Z",
"structure_string": "Rb2 In1 Bi1 Cl6\n1.0\n6.882802 0.000000 3.973787\n2.294267 6.489167 3.973787\n0.000000 0.000000 7.947574\nRb In Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.758286 0.241714 0.241714 Cl\n0.241714 0.241714 0.758286 Cl\n0.241714 0.758286 0.758286 Cl\n0.241714 0.758286 0.241714 Cl\n0.758286 0.241714 0.758286 Cl\n0.758286 0.758286 0.241714 Cl\n",
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"volume": 354.9676762483793,
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"spacegroup": 225
},
{
"id": "jvasp-108075",
"created_at": "2022-09-04T14:38:28.486943Z",
"updated_at": "2022-09-04T14:38:28.486975Z",
"structure_string": "Sr2 Al1 Ga3\n1.0\n4.373821 -0.000000 0.000000\n-2.186910 3.787840 0.000000\n-0.000000 -0.000000 9.505570\nSr Al Ga\n2 1 3\ndirect\n0.000000 0.000000 0.752234 Sr\n0.000000 0.000000 0.247766 Sr\n0.333333 0.666667 0.500000 Al\n0.333333 0.666667 -0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.666667 0.333333 -0.000000 Ga\n",
"nsites": 6,
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"elements": [
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"volume": 157.48195434922113,
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"formula_full": "Sr2 Al1 Ga3",
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},
{
"id": "jvasp-36986",
"created_at": "2022-09-04T14:38:07.124998Z",
"updated_at": "2022-09-04T14:38:07.125011Z",
"structure_string": "Tl2 Ge2 Cl6\n1.0\n0.000000 5.723479 -0.339915\n6.940941 0.000000 0.000000\n0.000000 -2.352377 -7.111246\nTl Ge Cl\n2 2 6\ndirect\n0.674901 0.250000 0.791656 Tl\n0.325098 0.750000 0.208344 Tl\n0.924043 0.250000 0.387872 Ge\n0.075956 0.750000 0.612128 Ge\n0.803469 -0.001848 0.172532 Cl\n0.196530 0.498152 0.827468 Cl\n0.672684 0.750000 0.638677 Cl\n0.327316 0.250000 0.361323 Cl\n0.196530 0.001848 0.827468 Cl\n0.803469 0.501848 0.172532 Cl\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Tl2 Ge2 Cl6",
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},
{
"id": "jvasp-21606",
"created_at": "2022-09-04T14:38:04.398265Z",
"updated_at": "2022-09-04T14:38:04.398293Z",
"structure_string": "Rb2 Si1 F6\n1.0\n5.136043 0.000000 2.965297\n1.712014 4.842308 2.965297\n-0.000000 -0.000000 5.930592\nRb Si F\n2 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Si\n0.205310 0.794689 0.794690 F\n0.205310 0.794689 0.205312 F\n0.794688 0.205311 0.794690 F\n0.794688 0.205311 0.205312 F\n0.794688 0.794689 0.205312 F\n0.205311 0.205311 0.794689 F\n",
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},
{
"id": "jvasp-55675",
"created_at": "2022-09-04T14:38:10.082494Z",
"updated_at": "2022-09-04T14:38:10.082517Z",
"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.540304 -0.000000 0.000000\n0.000000 6.765391 0.000000\n0.000000 0.000000 15.440093\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629433 Ba\n0.000000 0.250000 0.870567 Ba\n0.500000 0.250000 0.370567 Ba\n0.000000 0.750000 0.129433 Ba\n0.000000 0.750000 0.388880 Zn\n0.500000 0.250000 0.111120 Zn\n0.000000 0.250000 0.611120 Zn\n0.500000 0.750000 0.888880 Zn\n0.743193 0.595157 0.462367 Cl\n0.243194 0.404843 0.037632 Cl\n0.243194 0.904843 0.962367 Cl\n0.743193 0.095157 0.537632 Cl\n0.256806 0.404843 0.537632 Cl\n0.756806 0.595157 0.962367 Cl\n0.862438 0.987125 0.298549 Cl\n0.137562 0.012875 0.701451 Cl\n0.637561 0.487125 0.201451 Cl\n0.137562 0.512875 0.298549 Cl\n0.256806 0.904843 0.462367 Cl\n0.637561 0.987125 0.798549 Cl\n0.362438 0.512875 0.798549 Cl\n0.862438 0.487125 0.701451 Cl\n0.362438 0.012875 0.201451 Cl\n0.756806 0.095157 0.037632 Cl\n",
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{
"id": "jvasp-76876",
"created_at": "2022-09-04T14:38:04.384666Z",
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"structure_string": "Ca1 Tl1 Hg2\n1.0\n-10.730663 0.000000 -6.195351\n-6.899072 -1.211700 -0.441159\n-5.305378 3.295950 -3.201519\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Tl\n0.746906 -0.000000 -0.000000 Hg\n0.253094 -0.000000 -0.000000 Hg\n",
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}