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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=3847",
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"results": [
{
"id": "jvasp-102630",
"created_at": "2022-09-04T14:36:55.307058Z",
"updated_at": "2022-09-04T14:36:55.307069Z",
"structure_string": "Ba1 Ga2 H2\n1.0\n4.549723 0.000000 0.000000\n-2.274862 3.940176 0.000000\n-0.000000 -0.000000 4.963279\nBa Ga H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666667 0.471594 Ga\n0.666667 0.333334 0.528406 Ga\n0.333334 0.666667 0.128160 H\n0.666667 0.333334 0.871840 H\n",
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{
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"structure_string": "Ba1 Ga2 Ge1 Se6\n1.0\n6.409620 0.025931 -1.281312\n-1.316743 6.368900 -1.131126\n-0.059890 0.048914 6.656464\nBa Ga Ge Se\n1 2 1 6\ndirect\n0.004059 0.000025 0.987267 Ba\n0.814563 0.534461 0.403204 Ga\n0.547233 0.396113 0.820862 Ga\n0.396399 0.823409 0.544083 Ge\n0.253643 0.137992 0.573423 Se\n0.134627 0.591098 0.261447 Se\n0.582844 0.254134 0.136296 Se\n0.733705 0.885542 0.455243 Se\n0.895461 0.451182 0.747611 Se\n0.453097 0.741670 0.886189 Se\n",
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{
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"created_at": "2022-09-04T14:36:40.473153Z",
"updated_at": "2022-09-04T14:36:40.473168Z",
"structure_string": "Ba1 Ga2 Ge1 S6\n1.0\n6.115308 0.016487 -1.238458\n-1.280620 6.053418 -1.092226\n-0.036179 0.046505 6.356507\nBa Ga Ge S\n1 2 1 6\ndirect\n0.051631 0.053466 0.066524 Ba\n0.515648 0.665939 0.242529 Ga\n0.248923 0.530134 0.658420 Ga\n0.665579 0.241168 0.520516 Ge\n0.928620 0.471385 0.793819 S\n0.801341 0.929153 0.488526 S\n0.480160 0.802133 0.928882 S\n0.335127 0.183832 0.609309 S\n0.613971 0.325554 0.187044 S\n0.173840 0.612084 0.319270 S\n",
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"formula_full": "Ba1 Ga2 Ge1 S6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 1
},
{
"id": "jvasp-34318",
"created_at": "2022-09-04T14:37:12.583385Z",
"updated_at": "2022-09-04T14:37:12.583398Z",
"structure_string": "Ba3 Ga2 Ge4 O14\n1.0\n4.342493 -7.521418 0.000000\n4.342493 7.521418 -0.000000\n0.000000 0.000000 5.082448\nBa Ga Ge O\n3 2 4 14\ndirect\n-0.000000 0.571717 0.000000 Ba\n0.571717 -0.000000 0.000000 Ba\n0.428282 0.428282 0.000000 Ba\n0.666667 0.333333 0.500896 Ga\n0.333333 0.666667 0.499105 Ga\n0.756145 0.756145 0.500000 Ge\n-0.000000 0.243855 0.500000 Ge\n0.243855 -0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.835571 0.282728 0.347963 O\n0.903948 0.794407 0.770037 O\n0.447157 0.164428 0.347963 O\n0.666667 0.333333 0.851330 O\n0.552843 0.717271 0.652037 O\n0.282728 0.835571 0.652037 O\n0.333333 0.666667 0.148671 O\n0.096051 0.890459 0.229963 O\n0.109541 0.205592 0.229963 O\n0.205592 0.109541 0.770037 O\n0.717271 0.552843 0.347963 O\n0.164428 0.447157 0.652037 O\n0.890459 0.096051 0.770037 O\n0.794407 0.903948 0.229963 O\n",
"nsites": 23,
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],
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"volume": 332.00283466090565,
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"formula_full": "Ba3 Ga2 Ge4 O14",
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},
{
"id": "jvasp-97396",
"created_at": "2022-09-04T14:36:08.095286Z",
"updated_at": "2022-09-04T14:36:08.095316Z",
"structure_string": "Ba4 Ga8 Ge8 O32\n1.0\n9.023264 0.028547 0.000000\n-0.027892 9.063398 0.000000\n0.000000 0.000000 9.888750\nBa Ga Ge O\n4 8 8 32\ndirect\n0.250000 0.872763 0.395223 Ba\n0.749999 0.627238 0.895223 Ba\n0.749999 0.127237 0.604777 Ba\n0.250000 0.372763 0.104777 Ba\n0.571186 0.743076 0.578073 Ga\n0.428813 0.756925 0.078073 Ga\n0.571186 0.243076 0.921927 Ga\n0.928813 0.743072 0.578078 Ga\n0.071187 0.756929 0.078078 Ga\n0.071187 0.256929 0.421922 Ga\n0.928813 0.243072 0.921922 Ga\n0.428813 0.256924 0.421927 Ga\n0.426119 0.937235 0.799563 Ge\n0.426119 0.437235 0.700437 Ge\n0.573881 0.062766 0.200437 Ge\n0.926130 0.562786 0.299564 Ge\n0.073870 0.937215 0.799564 Ge\n0.073870 0.437215 0.700436 Ge\n0.926130 0.062785 0.200436 Ge\n0.573881 0.562766 0.299563 Ge\n0.933088 0.568521 0.675120 O\n0.933087 0.068521 0.824880 O\n0.066912 0.431480 0.324880 O\n0.433109 0.931473 0.175119 O\n0.566891 0.568528 0.675119 O\n0.566890 0.068528 0.824881 O\n0.249983 0.011696 0.848284 O\n0.750017 -0.011696 0.151716 O\n0.249983 0.511696 0.651716 O\n0.750017 0.488304 0.348284 O\n0.749994 0.327004 0.875193 O\n0.250006 0.172996 0.375193 O\n0.066912 0.931480 0.175120 O\n0.433109 0.431473 0.324881 O\n0.571893 0.616026 0.127080 O\n0.474613 0.279720 0.603032 O\n0.428106 0.383975 0.872920 O\n0.571893 0.116026 0.372920 O\n0.928107 0.616057 0.127087 O\n0.071892 0.883944 0.627087 O\n0.071892 0.383944 0.872913 O\n0.928107 0.116057 0.372913 O\n0.525386 0.720280 0.396968 O\n0.474613 0.779720 0.896968 O\n0.250006 0.672997 0.124807 O\n0.525386 0.220280 0.103032 O\n-0.025390 0.720288 0.396974 O\n0.025390 0.779712 0.896974 O\n0.025390 0.279712 0.603026 O\n-0.025390 0.220288 0.103026 O\n0.428107 0.883975 0.627080 O\n0.749994 0.827004 0.624807 O\n",
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"density_atomic": 0.06429881990215695,
"volume": 808.7240182499154,
"volume_molar": 9.36586514210346,
"formula_full": "Ba4 Ga8 Ge8 O32",
"formula_reduced": "BaGa2(GeO4)2",
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},
{
"id": "jvasp-56458",
"created_at": "2022-09-04T14:37:39.321331Z",
"updated_at": "2022-09-04T14:37:39.321347Z",
"structure_string": "Ba4 Ga2 Ge2 N2\n1.0\n0.000000 7.286317 0.004337\n4.224644 0.000000 0.000000\n0.000000 -3.032424 -8.872536\nBa Ga Ge N\n4 2 2 2\ndirect\n0.809661 0.749999 0.617906 Ba\n0.794539 0.749999 0.037725 Ba\n0.190340 0.250000 0.382094 Ba\n0.205462 0.250000 0.962276 Ba\n0.538146 0.250000 0.753935 Ga\n0.461855 0.749999 0.246065 Ga\n0.663818 0.250000 0.298639 Ge\n0.336182 0.749999 0.701362 Ge\n0.815195 0.250000 0.828312 N\n0.184806 0.749999 0.171688 N\n",
"nsites": 10,
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"elements": [
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"N"
],
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"density": 5.242309445700386,
"density_atomic": 0.03662202960115092,
"volume": 273.0596886330333,
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"formula_full": "Ba4 Ga2 Ge2 N2",
"formula_reduced": "Ba2GaGeN",
"formula_anonymous": "ABCD2",
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"spacegroup": 11
},
{
"id": "jvasp-35743",
"created_at": "2022-09-04T14:37:27.504201Z",
"updated_at": "2022-09-04T14:37:27.504230Z",
"structure_string": "Ba1 Ga1 Ge1 H1\n1.0\n2.187037 -3.788058 0.000000\n2.187037 3.788058 -0.000000\n0.000000 0.000000 5.240958\nBa Ga Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.000388 Ba\n0.666668 0.333334 0.549838 Ga\n0.333334 0.666668 0.444701 Ge\n0.666668 0.333334 0.885750 H\n",
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{
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"created_at": "2022-09-04T14:38:20.382081Z",
"updated_at": "2022-09-04T14:38:20.382091Z",
"structure_string": "Ba1 Ga1 Ge1\n1.0\n4.392620 0.000000 0.000000\n-2.196310 3.804120 0.000000\n-0.000000 0.000000 5.068854\nBa Ga Ge\n1 1 1\ndirect\n0.666667 0.333333 -0.000000 Ba\n0.000000 0.000000 0.500000 Ga\n0.333333 0.666667 0.500000 Ge\n",
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{
"id": "jvasp-63959",
"created_at": "2022-09-04T14:35:54.480647Z",
"updated_at": "2022-09-04T14:35:54.480666Z",
"structure_string": "Ba4 Ga1 Ge1\n1.0\n0.000000 4.938316 4.938316\n4.938316 -0.000000 4.938316\n4.938316 4.938316 -0.000000\nBa Ga Ge\n4 1 1\ndirect\n0.123103 0.625633 0.625633 Ba\n0.625633 0.625633 0.625633 Ba\n0.625633 0.123103 0.625633 Ba\n0.625633 0.625633 0.123103 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Ge\n",
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},
{
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"created_at": "2022-09-04T14:38:35.442503Z",
"updated_at": "2022-09-04T14:38:35.442531Z",
"structure_string": "Ba4 Ga4 Ge4\n1.0\n4.384746 0.000000 0.000000\n-2.192373 3.797301 0.000000\n-0.000000 -0.000000 20.461222\nBa Ga Ge\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.333334 0.666666 0.359916 Ga\n0.666667 0.333333 0.640084 Ga\n0.666667 0.333333 0.859916 Ga\n0.333334 0.666666 0.140084 Ga\n0.333334 0.666666 0.886914 Ge\n0.666667 0.333333 0.113086 Ge\n0.666667 0.333333 0.386914 Ge\n0.333334 0.666666 0.613086 Ge\n",
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{
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"created_at": "2022-09-04T14:35:48.351503Z",
"updated_at": "2022-09-04T14:35:48.351523Z",
"structure_string": "Ba1 Ga4\n1.0\n4.322387 -0.000000 -1.686109\n-0.657730 4.272051 -1.686109\n-0.035882 -0.041829 6.291350\nBa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.622201 0.622201 0.244402 Ga\n0.750001 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.377799 0.377799 0.755598 Ga\n",
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},
{
"id": "jvasp-19628",
"created_at": "2022-09-04T14:37:54.746704Z",
"updated_at": "2022-09-04T14:37:54.746725Z",
"structure_string": "Ba1 Ga2\n1.0\n2.221800 -3.848271 -0.000000\n2.221800 3.848271 -0.000000\n-0.000000 0.000000 5.092719\nBa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
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"formula_full": "Ba1 Ga2",
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}
]
}