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{
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"results": [
{
"id": "jvasp-106395",
"created_at": "2022-09-04T14:36:51.081532Z",
"updated_at": "2022-09-04T14:36:51.081555Z",
"structure_string": "Rb2 As1 Au1 Cl6\n1.0\n6.327845 -0.000000 3.653383\n2.109282 5.965950 3.653383\n-0.000000 -0.000000 7.306766\nRb As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.756131 0.243870 0.243869 Cl\n0.243870 0.243870 0.756131 Cl\n0.243870 0.756130 0.756130 Cl\n0.243870 0.756130 0.243869 Cl\n0.756131 0.243870 0.756130 Cl\n0.756131 0.756130 0.243869 Cl\n",
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{
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"structure_string": "K6 Ir2\n1.0\n3.706248 -6.419410 -0.000000\n3.706248 6.419410 -0.000000\n-0.000000 0.000000 5.474243\nK Ir\n6 2\ndirect\n0.185847 0.371695 0.250000 K\n0.628305 0.814153 0.250000 K\n0.185847 0.814153 0.250000 K\n0.814153 0.628305 0.750000 K\n0.371695 0.185847 0.750000 K\n0.814153 0.185847 0.750000 K\n0.333333 0.666667 0.750000 Ir\n0.666667 0.333333 0.250000 Ir\n",
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{
"id": "jvasp-110200",
"created_at": "2022-09-04T14:38:27.202057Z",
"updated_at": "2022-09-04T14:38:27.202068Z",
"structure_string": "Na1 Y1 F4\n1.0\n3.803606 -0.000000 0.000000\n0.000000 3.803606 0.000000\n-0.000000 -0.000000 5.465316\nNa Y F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500000 Y\n0.500001 0.000000 0.733162 F\n-0.000000 0.500001 0.266838 F\n0.500001 0.000000 0.266838 F\n-0.000000 0.500001 0.733162 F\n",
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"formula_full": "Na1 Y1 F4",
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{
"id": "jvasp-64828",
"created_at": "2022-09-04T14:36:08.807024Z",
"updated_at": "2022-09-04T14:36:08.807051Z",
"structure_string": "Ba4 Sr1 Co1\n1.0\n-0.000000 5.270678 5.270678\n5.270678 -0.000000 5.270678\n5.270678 5.270678 -0.000000\nBa Sr Co\n4 1 1\ndirect\n0.129740 0.623420 0.623420 Ba\n0.623420 0.623420 0.623420 Ba\n0.623420 0.129740 0.623420 Ba\n0.623420 0.623420 0.129740 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.020489048964594258,
"volume": 292.83936069303144,
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"formula_full": "Ba4 Sr1 Co1",
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"spacegroup": 216
},
{
"id": "jvasp-57325",
"created_at": "2022-09-04T14:38:14.456350Z",
"updated_at": "2022-09-04T14:38:14.456370Z",
"structure_string": "Rb2 Zr2 Mn2 F14\n1.0\n0.000000 6.440938 -0.019952\n8.328518 0.000000 0.000000\n0.000000 -2.975734 -5.712330\nRb Zr Mn F\n2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.690958 0.250000 0.808726 Zr\n0.309043 0.750000 0.191274 Zr\n0.308330 0.250000 0.191378 Mn\n0.691671 0.750000 0.808622 Mn\n0.298978 0.504915 0.201155 F\n0.496476 0.750000 0.004014 F\n0.503525 0.250000 0.995985 F\n0.943222 0.250000 0.160943 F\n0.665192 0.250000 0.467619 F\n0.298978 0.995085 0.201155 F\n0.701023 0.495085 0.798845 F\n0.056778 0.750000 0.839056 F\n0.967889 0.750000 0.165409 F\n0.334809 0.750000 0.532381 F\n0.338759 0.250000 0.556373 F\n0.661242 0.750000 0.443626 F\n0.701023 0.004915 0.798845 F\n0.032112 0.250000 0.834590 F\n",
"nsites": 20,
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"elements": [
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"chemical_system": "F-Mn-Rb-Zr",
"density": 3.9453688195089653,
"density_atomic": 0.06516278104692788,
"volume": 306.92367143748396,
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"formula_full": "Rb2 Zr2 Mn2 F14",
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{
"id": "jvasp-121284",
"created_at": "2022-09-04T14:38:54.517611Z",
"updated_at": "2022-09-04T14:38:54.517639Z",
"structure_string": "As1 Br2\n1.0\n5.583784 0.312411 0.154729\n-0.924738 -3.350317 0.408359\n-0.335982 -2.363062 -5.065362\nAs Br\n1 2\ndirect\n0.088476 0.041961 0.986967 As\n0.533042 0.240807 0.034583 Br\n0.041081 0.240981 0.542747 Br\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.03036255223369593,
"volume": 98.80592306303691,
"volume_molar": 19.83410588691129,
"formula_full": "As1 Br2",
"formula_reduced": "AsBr2",
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"spacegroup": 44
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{
"id": "jvasp-95548",
"created_at": "2022-09-04T14:35:44.990378Z",
"updated_at": "2022-09-04T14:35:44.990402Z",
"structure_string": "Li2 In2 Si4 O12\n1.0\n5.254523 0.001684 1.400176\n1.659342 6.512644 0.515847\n0.002765 -0.022189 6.740442\nLi In Si O\n2 2 4 12\ndirect\n0.749999 0.238646 0.761354 Li\n0.250000 0.761353 0.238647 Li\n0.749999 0.891077 0.108923 In\n0.249999 0.108922 0.891078 In\n0.781690 0.781368 0.611838 Si\n0.218309 0.218630 0.388164 Si\n0.281690 0.611836 0.781370 Si\n0.718309 0.388163 0.218631 Si\n0.042592 0.623128 0.667942 O\n0.542592 0.667941 0.623129 O\n0.164609 0.793728 0.959565 O\n0.124773 0.131467 0.617532 O\n0.835389 0.206271 0.040436 O\n0.957407 0.376871 0.332059 O\n0.335389 0.040435 0.206272 O\n0.875225 0.868531 0.382469 O\n0.624773 0.617531 0.131468 O\n0.375225 0.382468 0.868533 O\n0.457407 0.332058 0.376872 O\n0.664609 0.959564 0.793729 O\n",
"nsites": 20,
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"elements": [
"Li",
"In",
"Si",
"O"
],
"chemical_system": "In-Li-O-Si",
"density": 3.944579666536189,
"density_atomic": 0.0867196955062526,
"volume": 230.62811606110836,
"volume_molar": 6.9443748906680565,
"formula_full": "Li2 In2 Si4 O12",
"formula_reduced": "LiIn(SiO3)2",
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"spacegroup": 15
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{
"id": "jvasp-68338",
"created_at": "2022-09-04T14:35:58.926069Z",
"updated_at": "2022-09-04T14:35:58.926095Z",
"structure_string": "Sr2 Be1 Ge1\n1.0\n-2.313141 2.313141 5.052921\n2.313141 -2.313141 5.052921\n2.313141 2.313141 -5.052921\nSr Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.9445119171196352,
"density_atomic": 0.036987355267356345,
"volume": 108.14506663390043,
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"formula_full": "Sr2 Be1 Ge1",
"formula_reduced": "Sr2BeGe",
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"spacegroup": 119
},
{
"id": "jvasp-94227",
"created_at": "2022-09-04T14:35:46.452828Z",
"updated_at": "2022-09-04T14:35:46.452853Z",
"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.304929 -0.086357 0.000000\n-3.227252 5.589765 0.000000\n0.000000 0.000000 4.944710\nMg Fe Bi\n6 1 1\ndirect\n0.672632 0.331789 0.250000 Mg\n0.672632 0.840841 0.250000 Mg\n0.327411 0.187417 0.750000 Mg\n0.327411 0.639993 0.750000 Mg\n0.846062 0.173031 0.750000 Mg\n0.815191 0.657596 0.750000 Mg\n0.170661 0.335329 0.250000 Fe\n0.168000 0.833998 0.250000 Bi\n",
"nsites": 8,
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"elements": [
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],
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"density": 3.9442100195033927,
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"volume": 172.8886979238766,
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"formula_full": "Mg6 Fe1 Bi1",
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"spacegroup": 38
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{
"id": "jvasp-94895",
"created_at": "2022-09-04T14:36:17.957723Z",
"updated_at": "2022-09-04T14:36:17.957750Z",
"structure_string": "Ti1 Cr2 S4\n1.0\n-0.000000 3.447916 0.000000\n-0.075138 0.000000 6.089068\n5.654041 -1.723959 -2.979297\nTi Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.741456 0.729248 0.482912 Cr\n0.258544 0.270752 0.517088 Cr\n0.632387 0.967615 0.264774 S\n0.367614 0.032385 0.735226 S\n0.872457 0.546652 0.744913 S\n0.127543 0.453348 0.255086 S\n",
"nsites": 7,
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],
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"volume": 117.93245578714203,
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"formula_full": "Ti1 Cr2 S4",
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},
{
"id": "jvasp-42378",
"created_at": "2022-09-04T14:37:12.876144Z",
"updated_at": "2022-09-04T14:37:12.876173Z",
"structure_string": "Na8 Sn4 O8\n1.0\n5.152919 0.000000 0.000000\n0.000000 6.657421 0.000000\n0.000000 0.000000 9.655585\nNa Sn O\n8 4 8\ndirect\n-0.006147 0.623526 0.422574 Na\n0.008623 0.128862 0.759304 Na\n0.491377 0.871137 0.259305 Na\n0.506147 0.376474 0.922574 Na\n0.493854 0.876474 0.577426 Na\n0.508623 0.371138 0.240695 Na\n0.991377 0.628862 0.740695 Na\n0.006147 0.123526 0.077426 Na\n0.015026 0.601569 0.074069 Sn\n0.484974 0.398431 0.574068 Sn\n0.515026 0.898431 0.925931 Sn\n-0.015026 0.101569 0.425931 Sn\n0.001394 0.891756 0.580220 O\n0.077762 0.343186 0.557568 O\n0.422238 0.656814 0.057568 O\n0.498606 0.108244 0.080220 O\n0.501394 0.608244 0.419780 O\n0.577762 0.156814 0.442432 O\n0.922238 0.843186 0.942431 O\n0.998606 0.391756 0.919780 O\n",
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"volume": 331.23630298156456,
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{
"id": "jvasp-98363",
"created_at": "2022-09-04T14:35:56.427443Z",
"updated_at": "2022-09-04T14:35:56.427474Z",
"structure_string": "Rb12 Si4 O14\n1.0\n6.732922 0.000000 -0.127831\n0.000000 9.238938 0.000000\n-0.000197 0.000000 9.218361\nRb Si O\n12 4 14\ndirect\n0.607009 0.852700 0.091097 Rb\n0.612826 0.723005 0.723514 Rb\n0.112826 0.776995 0.223514 Rb\n0.387173 0.276995 0.276486 Rb\n0.246442 0.524689 0.952764 Rb\n0.253557 0.024689 0.547236 Rb\n0.753557 0.475311 0.047236 Rb\n0.746442 0.975311 0.452764 Rb\n0.107009 0.647300 0.591097 Rb\n0.392990 0.147300 0.908903 Rb\n0.892990 0.352700 0.408903 Rb\n0.887173 0.223005 0.776486 Rb\n0.957689 0.131738 0.124764 Si\n0.457689 0.368262 0.624764 Si\n0.042310 0.868262 0.875236 Si\n0.542310 0.631738 0.375236 Si\n0.053102 0.077634 0.280918 O\n0.446897 0.577634 0.219082 O\n0.284884 0.844706 0.868588 O\n0.215115 0.344706 0.631412 O\n0.715115 0.155295 0.131412 O\n0.784884 0.655295 0.368588 O\n0.570955 0.222341 0.565807 O\n0.929044 0.722341 0.934193 O\n0.429045 0.777659 0.434193 O\n0.946897 0.922366 0.719082 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.553102 0.422366 0.780918 O\n0.070955 0.277659 0.065807 O\n",
"nsites": 30,
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"elements": [
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],
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"volume": 573.4283642765845,
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"formula_full": "Rb12 Si4 O14",
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}
]
}