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{
"id": "jvasp-116081",
"created_at": "2022-09-04T14:38:41.070777Z",
"updated_at": "2022-09-04T14:38:41.070807Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n4.816167 -0.000000 -0.000000\n-2.408083 4.170923 -0.000000\n-0.000000 -0.000000 3.050375\nTl Zn F\n1 1 1\ndirect\n0.333335 0.666666 0.000000 Tl\n0.666668 0.333333 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
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{
"id": "jvasp-116178",
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"updated_at": "2022-09-04T14:38:41.071424Z",
"structure_string": "I2 N2\n1.0\n5.916454 0.283767 -0.763182\n-0.854206 -7.629946 -0.156155\n-1.782966 1.242394 -2.087746\nI N\n2 2\ndirect\n0.031362 0.020769 -0.107705 I\n0.334637 0.624042 0.724490 I\n0.723633 0.405485 0.423539 N\n0.642529 0.239412 0.193578 N\n",
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{
"id": "jvasp-116191",
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"structure_string": "Na1 I1 O3\n1.0\n3.181528 1.562854 2.877380\n-3.348891 1.933483 2.819398\n0.237293 -3.536711 2.877380\nNa I O\n1 1 3\ndirect\n0.003898 -0.380595 0.003898 Na\n0.705296 0.142526 0.705298 I\n0.488848 0.647887 0.103451 O\n0.403408 0.647194 0.403410 O\n0.103449 0.647888 0.488849 O\n",
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"formula_full": "Na1 I1 O3",
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"spacegroup": 8
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{
"id": "jvasp-116276",
"created_at": "2022-09-04T14:38:41.075793Z",
"updated_at": "2022-09-04T14:38:41.075824Z",
"structure_string": "Li1 H2\n1.0\n2.943065 -0.326742 0.096669\n1.391103 -2.842867 -0.045487\n0.788057 -1.337711 -2.521500\nLi H\n1 2\ndirect\n0.055675 0.923934 0.899134 Li\n0.555785 0.173920 0.399318 H\n0.555592 0.674029 0.398922 H\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.1513626319148572,
"volume": 19.819951344976126,
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"spacegroup": 139
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{
"id": "jvasp-114731",
"created_at": "2022-09-04T14:38:41.076687Z",
"updated_at": "2022-09-04T14:38:41.076715Z",
"structure_string": "Ca1 O2\n1.0\n3.800571 -1.074178 0.243078\n0.908757 -3.350469 -0.529509\n-1.499544 0.827684 -3.236982\nCa O\n1 2\ndirect\n0.053383 -0.177252 0.077813 Ca\n0.251211 0.143515 0.754428 O\n-0.144439 0.502037 0.401217 O\n",
"nsites": 3,
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"elements": [
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"density": 3.163525411419553,
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"spacegroup": 2
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{
"id": "jvasp-115908",
"created_at": "2022-09-04T14:38:41.080933Z",
"updated_at": "2022-09-04T14:38:41.080961Z",
"structure_string": "P1 Cl3\n1.0\n6.249110 -0.000000 -0.000000\n-3.124555 5.411888 -0.000000\n0.000000 -0.000000 3.138527\nP Cl\n1 3\ndirect\n0.000000 0.000000 0.000000 P\n0.338368 0.000000 0.000000 Cl\n1.000000 0.338369 0.000000 Cl\n0.661631 0.661632 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"density": 2.148475537938871,
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{
"id": "jvasp-116510",
"created_at": "2022-09-04T14:38:41.083542Z",
"updated_at": "2022-09-04T14:38:41.083573Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.847813 0.000000 0.000000\n-0.000000 7.268708 3.388489\n-0.000000 -0.058327 9.498512\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.319766 0.334711 Li\n0.000000 0.680234 0.665289 Li\n0.000000 0.000000 0.000000 Li\n0.499999 0.830788 0.829573 Li\n0.499999 0.169212 0.170427 Li\n0.499999 0.500000 0.500000 Li\n0.499999 -0.000000 0.500000 Li\n0.000000 0.158695 0.664741 Mn\n0.000000 0.841305 0.335259 Mn\n0.499999 0.665077 0.167908 Co\n0.499999 0.334922 0.832092 Co\n0.000000 0.500000 -0.000000 Co\n0.499999 0.564990 0.848747 O\n0.000000 0.930392 0.672615 O\n0.000000 0.269377 0.981853 O\n0.000000 0.598993 0.318892 O\n0.499999 0.435010 0.151253 O\n0.499999 0.756283 0.482542 O\n0.499999 0.099299 0.821419 O\n0.000000 0.730623 0.018147 O\n0.000000 0.069608 0.327385 O\n0.000000 0.401007 0.681108 O\n0.499999 0.243717 0.517458 O\n0.499999 0.900701 0.178581 O\n",
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"elements": [
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"O"
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"density": 4.440219985108538,
"density_atomic": 0.12171540074729517,
"volume": 197.18129220006156,
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"formula_full": "Li7 Mn2 Co3 O12",
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"spacegroup": 10
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{
"id": "jvasp-111712",
"created_at": "2022-09-04T14:38:41.084333Z",
"updated_at": "2022-09-04T14:38:41.084370Z",
"structure_string": "Zr12 Fe12 C4\n1.0\n7.236857 0.000000 4.178202\n2.412285 6.822975 4.178202\n0.000000 0.000000 8.356404\nZr Fe C\n12 12 4\ndirect\n0.800202 0.800202 0.199798 Zr\n0.449799 0.050201 0.050201 Zr\n0.050202 0.449799 0.449798 Zr\n0.050202 0.449799 0.050201 Zr\n0.050201 0.050201 0.449798 Zr\n0.449799 0.449799 0.050201 Zr\n0.449799 0.050201 0.449798 Zr\n0.199799 0.800202 0.800200 Zr\n0.199799 0.800202 0.199798 Zr\n0.800202 0.199799 0.800201 Zr\n0.199799 0.199799 0.800201 Zr\n0.800202 0.199799 0.199798 Zr\n0.427813 0.427813 0.427812 Fe\n0.822188 0.822188 0.822186 Fe\n0.822188 0.822188 0.533436 Fe\n0.822188 0.533438 0.822186 Fe\n0.533438 0.822188 0.822186 Fe\n0.427813 0.427813 0.716562 Fe\n0.625000 0.125000 0.624999 Fe\n0.716563 0.427813 0.427812 Fe\n0.625000 0.625000 0.624999 Fe\n0.625000 0.625000 0.124999 Fe\n0.125000 0.625000 0.624999 Fe\n0.427813 0.716563 0.427812 Fe\n0.125000 0.125000 0.625000 C\n0.625000 0.125000 0.125000 C\n0.125000 0.625000 0.124999 C\n0.125000 0.125000 0.125000 C\n",
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"formula_full": "Zr12 Fe12 C4",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-112420",
"created_at": "2022-09-04T14:38:41.087541Z",
"updated_at": "2022-09-04T14:38:41.087570Z",
"structure_string": "Ba4 Mn4 F20\n1.0\n4.825383 -0.000000 0.000000\n0.000000 5.831870 0.000000\n-0.000000 -0.000000 14.216618\nBa Mn F\n4 4 20\ndirect\n0.736134 0.627599 0.660938 Ba\n0.236135 0.872401 0.339062 Ba\n0.263865 0.127599 0.839062 Ba\n0.763865 0.372401 0.160938 Ba\n0.347672 0.113539 0.584556 Mn\n0.847671 0.386461 0.415444 Mn\n0.652328 0.613539 0.915444 Mn\n0.152328 0.886461 0.084556 Mn\n0.288950 0.644787 0.160166 F\n0.657612 0.116517 0.663905 F\n0.157612 0.383483 0.336095 F\n0.052369 0.128168 0.498920 F\n0.842387 0.883483 0.163905 F\n0.552369 0.371832 0.501080 F\n0.788950 0.855213 0.839834 F\n0.342387 0.616518 0.836095 F\n0.711049 0.144787 0.339834 F\n0.202728 0.868908 0.676832 F\n0.797272 0.368908 0.823168 F\n0.297272 0.131092 0.176832 F\n0.447630 0.871832 0.998920 F\n0.702727 0.631092 0.323168 F\n0.494838 0.384585 0.988455 F\n-0.005162 0.115415 0.011545 F\n0.505162 0.884585 0.511545 F\n0.005162 0.615415 0.488455 F\n0.211050 0.355213 0.660166 F\n0.947630 0.628168 0.001080 F\n",
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{
"id": "jvasp-116083",
"created_at": "2022-09-04T14:38:41.087651Z",
"updated_at": "2022-09-04T14:38:41.087679Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n3.089841 0.000000 0.000000\n0.000000 3.089841 -0.000000\n-0.000000 -0.000000 7.406534\nTl Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.288742 Tl\n0.000000 0.000000 0.710622 Zn\n0.000000 0.000000 -0.031283 F\n",
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{
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"created_at": "2022-09-04T14:38:41.089785Z",
"updated_at": "2022-09-04T14:38:41.089800Z",
"structure_string": "Mg2 Mn3 Cr1 S8\n1.0\n6.264039 -0.000348 3.617320\n2.087919 5.932596 3.617425\n-0.000681 -0.000535 7.233366\nMg Mn Cr S\n2 3 1 8\ndirect\n0.873282 0.880177 0.873264 Mg\n0.126723 0.119820 0.126738 Mg\n0.500002 0.500001 0.499997 Mn\n0.499995 0.499993 0.000000 Mn\n-0.000002 0.500005 0.500003 Mn\n0.500004 -0.000001 0.500002 Cr\n0.735759 0.743936 0.735777 S\n0.264238 0.256052 0.715480 S\n0.262747 0.711754 0.262751 S\n0.715473 0.256053 0.264238 S\n0.737256 0.288244 0.737244 S\n0.284531 0.743951 0.735755 S\n0.264235 0.256056 0.264239 S\n0.735765 0.743950 0.284521 S\n",
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{
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"created_at": "2022-09-04T14:38:41.089923Z",
"updated_at": "2022-09-04T14:38:41.089949Z",
"structure_string": "Mg2 V1 Cr3 S8\n1.0\n6.244631 -0.002794 3.593056\n2.075941 5.889892 3.591726\n-0.005420 -0.002918 7.204095\nMg V Cr S\n2 1 3 8\ndirect\n0.875585 0.875588 0.875592 Mg\n0.124414 0.124413 0.124411 Mg\n0.500000 0.500000 0.500000 V\n0.500000 0.499999 1.000001 Cr\n0.000001 0.499999 0.500001 Cr\n0.500001 0.999999 0.500002 Cr\n0.737420 0.737449 0.737471 S\n0.261283 0.261318 0.712963 S\n0.261268 0.712961 0.261322 S\n0.712961 0.261265 0.261285 S\n0.738733 0.287039 0.738679 S\n0.287038 0.738734 0.738717 S\n0.262581 0.262548 0.262533 S\n0.738719 0.738681 0.287039 S\n",
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}