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{
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{
"id": "jvasp-38267",
"created_at": "2022-09-04T14:36:15.185368Z",
"updated_at": "2022-09-04T14:36:15.185385Z",
"structure_string": "Mn2 Zn6\n1.0\n2.736774 -4.740231 0.000000\n2.736774 4.740231 0.000000\n0.000000 0.000000 4.335772\nMn Zn\n2 6\ndirect\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.831427 0.168572 0.250000 Zn\n0.831426 0.662855 0.250000 Zn\n0.337144 0.168572 0.250000 Zn\n0.168572 0.831427 0.750000 Zn\n0.168572 0.337144 0.750000 Zn\n0.662855 0.831426 0.750000 Zn\n",
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{
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"structure_string": "Cu2 I2\n1.0\n4.157805 -0.000000 0.000000\n-2.078903 3.600765 0.000000\n0.000000 0.000000 7.251002\nCu I\n2 2\ndirect\n0.333333 0.666666 0.853029 Cu\n-0.000000 -0.000000 0.662972 Cu\n-0.000000 -0.000000 0.024506 I\n0.333333 0.666666 0.491492 I\n",
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{
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"structure_string": "K6 Mg2\n1.0\n4.251535 -7.363875 -0.000000\n4.251535 7.363875 0.000000\n0.000000 -0.000000 6.718114\nK Mg\n6 2\ndirect\n0.650398 0.825200 0.750000 K\n0.174802 0.825199 0.750000 K\n0.174801 0.349603 0.750000 K\n0.825200 0.650398 0.250000 K\n0.825199 0.174802 0.250000 K\n0.349603 0.174801 0.250000 K\n0.666667 0.333334 0.750000 Mg\n0.333334 0.666667 0.250000 Mg\n",
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{
"id": "jvasp-119",
"created_at": "2022-09-04T14:38:03.546136Z",
"updated_at": "2022-09-04T14:38:03.546162Z",
"structure_string": "Rb2 Te1\n1.0\n5.195543 -0.000000 2.999648\n1.731848 4.898405 2.999648\n0.000000 0.000000 5.999296\nRb Te\n2 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"volume": 152.68132614232854,
"volume_molar": 30.64894791508568,
"formula_full": "Rb2 Te1",
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{
"id": "jvasp-4005",
"created_at": "2022-09-04T14:36:57.093842Z",
"updated_at": "2022-09-04T14:36:57.093862Z",
"structure_string": "Na3 Cl1 O1\n1.0\n4.490933 0.000000 0.000000\n0.000000 4.490933 0.000000\n0.000000 0.000000 4.490933\nNa Cl O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
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},
{
"id": "jvasp-8186",
"created_at": "2022-09-04T14:37:04.400776Z",
"updated_at": "2022-09-04T14:37:04.400802Z",
"structure_string": "Zn2 Te2\n1.0\n2.172253 -3.762451 0.000000\n2.172253 3.762451 -0.000000\n0.000000 0.000000 7.165593\nZn Te\n2 2\ndirect\n0.333332 0.666666 0.000928 Zn\n0.666666 0.333332 0.500928 Zn\n0.333332 0.666666 0.374072 Te\n0.666666 0.333332 0.874071 Te\n",
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"elements": [
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{
"id": "jvasp-12752",
"created_at": "2022-09-04T14:38:14.187004Z",
"updated_at": "2022-09-04T14:38:14.187026Z",
"structure_string": "Rb2 Ge2 Cl6\n1.0\n0.000000 5.774635 -0.098676\n6.983369 0.000000 0.000000\n0.000000 -2.332159 -7.446950\nRb Ge Cl\n2 2 6\ndirect\n0.673992 0.750000 0.296338 Rb\n0.326007 0.250000 0.703662 Rb\n0.935553 0.750000 0.884930 Ge\n0.064447 0.250000 0.115071 Ge\n0.340539 0.750000 0.868768 Cl\n0.659461 0.250000 0.131233 Cl\n0.186447 0.499913 0.323502 Cl\n0.813552 -0.000087 0.676498 Cl\n0.186447 0.000087 0.323502 Cl\n0.813552 0.500087 0.676498 Cl\n",
"nsites": 10,
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"spacegroup": 11
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{
"id": "jvasp-38232",
"created_at": "2022-09-04T14:37:54.621165Z",
"updated_at": "2022-09-04T14:37:54.621195Z",
"structure_string": "Rb3 In1\n1.0\n6.032933 -0.000000 -0.000000\n0.000000 6.032933 0.000000\n-0.000000 0.000000 6.032933\nRb In\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"volume": 219.5763222033571,
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},
{
"id": "jvasp-8353",
"created_at": "2022-09-04T14:37:05.486123Z",
"updated_at": "2022-09-04T14:37:05.486145Z",
"structure_string": "Mg1 Co1 F6\n1.0\n4.351528 0.066391 2.864168\n1.577764 4.055965 2.864168\n0.095494 0.066392 5.208659\nMg Co F\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Co\n0.374258 0.095839 0.767880 F\n0.095838 0.767880 0.374259 F\n0.232120 0.625742 0.904162 F\n0.904160 0.232121 0.625743 F\n0.625741 0.904161 0.232122 F\n0.767879 0.374258 0.095840 F\n",
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"spacegroup": 148
},
{
"id": "jvasp-119132",
"created_at": "2022-09-04T14:38:48.746787Z",
"updated_at": "2022-09-04T14:38:48.746812Z",
"structure_string": "Tl2 Bi2 F8\n1.0\n3.818199 -0.000000 0.000000\n0.000000 6.509580 0.000000\n-0.000000 -0.000000 8.124104\nTl Bi F\n2 2 8\ndirect\n-0.000000 0.251761 0.373360 Tl\n-0.000000 0.751761 0.626640 Tl\n0.500000 0.762789 0.133183 Bi\n0.500000 0.262789 0.866817 Bi\n-0.000000 0.497540 0.913074 F\n-0.000000 0.997540 0.086925 F\n0.500000 0.440110 0.637429 F\n0.500000 0.940110 0.362570 F\n-0.000000 0.655248 0.270484 F\n-0.000000 0.155248 0.729516 F\n0.500000 0.392552 0.144890 F\n0.500000 0.892552 0.855110 F\n",
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"spacegroup": 26
},
{
"id": "jvasp-13749",
"created_at": "2022-09-04T14:37:02.038825Z",
"updated_at": "2022-09-04T14:37:02.038846Z",
"structure_string": "Na6 Ti3 F18\n1.0\n4.791260 -8.298705 -0.000000\n4.791260 8.298705 0.000000\n-0.000000 -0.000000 4.608240\nNa Ti F\n6 3 18\ndirect\n0.342274 0.342274 0.000000 Na\n-0.000000 0.657726 0.000000 Na\n0.657726 -0.000000 0.000000 Na\n0.657726 0.657726 0.000000 Na\n-0.000000 0.342274 0.000000 Na\n0.342274 -0.000000 0.000000 Na\n0.333333 0.666667 0.503526 Ti\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.496474 Ti\n0.096254 0.903746 0.221647 F\n0.239242 0.760758 0.736612 F\n0.903746 0.096254 0.778353 F\n0.903746 0.807492 0.778353 F\n0.192508 0.096254 0.778353 F\n0.807492 0.903746 0.221647 F\n0.096254 0.192508 0.221647 F\n0.478483 0.239242 0.263388 F\n0.427905 0.855809 0.270349 F\n0.760758 0.239242 0.263388 F\n0.427905 0.572095 0.270349 F\n0.239242 0.478483 0.736612 F\n0.144191 0.572095 0.270349 F\n0.855809 0.427905 0.729650 F\n0.572095 0.144191 0.729650 F\n0.572095 0.427905 0.729650 F\n0.760758 0.521517 0.263388 F\n0.521517 0.760758 0.736612 F\n",
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"formula_full": "Na6 Ti3 F18",
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{
"id": "jvasp-95425",
"created_at": "2022-09-04T14:36:11.599468Z",
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"structure_string": "Cu4 Hg4 S4 I4\n1.0\n7.059173 0.000000 0.000000\n0.000000 7.180392 0.000000\n0.000000 0.000000 8.472455\nCu Hg S I\n4 4 4 4\ndirect\n0.294858 0.077080 0.359222 Cu\n0.794858 0.922920 0.640777 Cu\n0.794858 0.422920 0.859222 Cu\n0.294858 0.577080 0.140778 Cu\n0.185285 0.030261 0.951850 Hg\n0.685284 0.969738 0.048149 Hg\n0.685284 0.469739 0.451851 Hg\n0.185285 0.530261 0.548149 Hg\n0.877316 0.116756 0.841432 S\n0.377316 0.883243 0.158568 S\n0.377316 0.383243 0.341432 S\n0.877316 0.616756 0.658567 S\n0.409011 0.914300 0.625183 I\n0.909010 0.085700 0.374816 I\n0.909010 0.585700 0.125183 I\n0.409011 0.414300 0.874816 I\n",
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