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"results": [
{
"id": "jvasp-38157",
"created_at": "2022-09-04T14:36:06.338432Z",
"updated_at": "2022-09-04T14:36:06.338449Z",
"structure_string": "Rb4 N1 O1\n1.0\n4.886029 0.000000 0.000000\n0.000000 4.886029 0.000000\n0.000000 0.000000 6.906436\nRb N O\n4 1 1\ndirect\n0.000000 0.500000 0.744140 Rb\n0.500000 0.000000 0.255861 Rb\n0.000000 0.500000 0.255861 Rb\n0.500000 0.000000 0.744140 Rb\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 O\n",
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{
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"structure_string": "Li2 Mn2 O2 F4\n1.0\n4.465087 0.002292 2.773792\n-1.736278 4.567130 -2.189567\n-0.022353 0.029637 5.016583\nLi Mn O F\n2 2 2 4\ndirect\n0.410646 0.342065 0.446314 Li\n0.981141 0.842001 0.946264 Li\n0.733533 0.212785 0.734703 Mn\n0.240598 0.712795 0.234710 Mn\n0.362994 0.998143 0.025049 O\n0.106144 0.498163 0.525076 O\n0.002472 0.014050 0.662332 F\n0.632268 0.960287 0.326487 F\n0.497614 0.460326 0.826507 F\n0.845283 0.514030 0.162360 F\n",
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{
"id": "jvasp-36465",
"created_at": "2022-09-04T14:37:29.450990Z",
"updated_at": "2022-09-04T14:37:29.451020Z",
"structure_string": "Ca3 Sb1 N1\n1.0\n4.841886 -0.000000 0.000000\n-0.000000 4.841886 -0.000000\n0.000000 -0.000000 4.841886\nCa Sb N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"elements": [
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],
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"volume": 113.51249769909039,
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"formula_full": "Ca3 Sb1 N1",
"formula_reduced": "Ca3SbN",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-101171",
"created_at": "2022-09-04T14:36:57.937405Z",
"updated_at": "2022-09-04T14:36:57.937425Z",
"structure_string": "Li1 Zr2 S4\n1.0\n3.634464 0.000000 0.000000\n-0.000000 5.965483 1.962395\n-0.000000 0.022198 6.503587\nLi Zr S\n1 2 4\ndirect\n0.000000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.752409 0.249383 S\n0.000000 0.252336 0.245303 S\n0.500000 0.247591 0.750618 S\n0.000000 0.747664 0.754698 S\n",
"nsites": 7,
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"elements": [
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],
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"density_atomic": 0.049698925680328306,
"volume": 140.84811500806185,
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"formula_full": "Li1 Zr2 S4",
"formula_reduced": "Li(ZrS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 10
},
{
"id": "jvasp-10991",
"created_at": "2022-09-04T14:37:17.598921Z",
"updated_at": "2022-09-04T14:37:17.598941Z",
"structure_string": "K4 Zn2 Te4\n1.0\n6.372968 -0.000000 -2.789869\n-1.342740 6.428815 -3.067255\n-0.020552 0.025376 8.626953\nK Zn Te\n4 2 4\ndirect\n0.859352 0.175720 0.718702 K\n0.140648 0.824279 0.281298 K\n0.640649 0.457017 0.281298 K\n0.359352 0.542983 0.718702 K\n0.250000 0.000000 -0.000000 Zn\n0.750000 0.000000 -0.000000 Zn\n0.608804 0.911048 0.217607 Te\n0.391196 0.088952 0.782393 Te\n0.891197 0.693441 0.782393 Te\n0.108804 0.306558 0.217607 Te\n",
"nsites": 10,
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],
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"density": 3.7448717961381166,
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"volume": 353.6742055959177,
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"formula_full": "K4 Zn2 Te4",
"formula_reduced": "K2ZnTe2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
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{
"id": "jvasp-43450",
"created_at": "2022-09-04T14:37:09.432000Z",
"updated_at": "2022-09-04T14:37:09.432026Z",
"structure_string": "Li2 Fe2 F6\n1.0\n5.051151 0.000001 0.000000\n-2.525576 1.458141 4.807637\n2.525577 -4.374425 0.000000\nLi Fe F\n2 2 6\ndirect\n0.146284 0.438855 0.146285 Li\n0.853715 0.561145 0.853717 Li\n0.345252 0.035758 0.345252 Fe\n0.654747 0.964243 0.654750 Fe\n0.240437 0.745890 0.566035 F\n0.060582 0.254110 0.759564 F\n0.433965 0.254110 0.060582 F\n0.566034 0.745890 0.939420 F\n0.939417 0.745890 0.240438 F\n0.759562 0.254110 0.433966 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "F-Fe-Li",
"density": 3.7447664961653073,
"density_atomic": 0.09413626326007982,
"volume": 106.22898821012242,
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"formula_full": "Li2 Fe2 F6",
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{
"id": "jvasp-26919",
"created_at": "2022-09-04T14:38:36.328192Z",
"updated_at": "2022-09-04T14:38:36.328212Z",
"structure_string": "K8 Na4 In4 Sb8\n1.0\n7.022898 -0.000000 -0.000000\n0.000000 10.708398 -1.663289\n-0.000000 0.012551 10.836798\nK Na In Sb\n8 4 4 8\ndirect\n0.750000 0.422939 0.077061 K\n0.250000 0.077061 0.422939 K\n0.250000 0.577061 0.922939 K\n0.750000 0.922939 0.577061 K\n0.778034 0.326856 0.673144 K\n0.278034 0.173144 0.826856 K\n0.221966 0.673144 0.326856 K\n0.721966 0.826856 0.173144 K\n0.000000 0.618830 0.618830 Na\n0.500000 0.881170 0.881170 Na\n0.000000 0.381170 0.381170 Na\n0.500000 0.118830 0.118830 Na\n0.000000 0.132396 0.132396 In\n0.500000 0.367604 0.367604 In\n0.000000 0.867604 0.867604 In\n0.500000 0.632396 0.632396 In\n0.208833 0.892928 0.107072 Sb\n0.750000 0.642186 0.857814 Sb\n0.250000 0.857814 0.642186 Sb\n0.250000 0.357813 0.142187 Sb\n0.750000 0.142187 0.357813 Sb\n0.791167 0.107072 0.892928 Sb\n0.291167 0.392928 0.607072 Sb\n0.708833 0.607072 0.392928 Sb\n",
"nsites": 24,
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"elements": [
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"In",
"Sb"
],
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"density": 3.744533088632897,
"density_atomic": 0.029443625002978688,
"volume": 815.1170244007666,
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"formula_full": "K8 Na4 In4 Sb8",
"formula_reduced": "K2NaInSb2",
"formula_anonymous": "ABC2D2",
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},
{
"id": "jvasp-8771",
"created_at": "2022-09-04T14:37:01.058147Z",
"updated_at": "2022-09-04T14:37:01.058175Z",
"structure_string": "Rb2 O4\n1.0\n6.259446 -0.000000 0.000000\n6.259446 4.653910 -0.569349\n3.129723 2.766405 3.238279\nRb O\n2 4\ndirect\n0.624983 0.000000 0.500000 Rb\n0.625016 0.500000 0.500000 Rb\n1.233342 -0.249856 0.000113 O\n0.233742 1.249857 0.999887 O\n0.016657 0.749857 0.999887 O\n1.016259 0.250144 0.000113 O\n",
"nsites": 6,
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"elements": [
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"volume": 104.19291624937765,
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"formula_full": "Rb2 O4",
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"spacegroup": 65
},
{
"id": "jvasp-51166",
"created_at": "2022-09-04T14:36:59.158238Z",
"updated_at": "2022-09-04T14:36:59.158264Z",
"structure_string": "Y1 Mg1 Cu1\n1.0\n0.000000 3.396979 3.396979\n3.396979 0.000000 3.396979\n3.396979 3.396979 0.000000\nY Mg Cu\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cu\n",
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},
{
"id": "jvasp-15236",
"created_at": "2022-09-04T14:36:44.168132Z",
"updated_at": "2022-09-04T14:36:44.168156Z",
"structure_string": "Cr2 O4\n1.0\n1.426535 -2.470830 -0.000000\n1.426535 2.470830 0.000000\n-0.000000 -0.000000 10.570026\nCr O\n2 4\ndirect\n0.333331 0.666665 0.750000 Cr\n0.666665 0.333331 0.250000 Cr\n0.666665 0.333331 0.405952 O\n0.333331 0.666665 0.905952 O\n0.666665 0.333331 0.094049 O\n0.333331 0.666665 0.594049 O\n",
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},
{
"id": "jvasp-117542",
"created_at": "2022-09-04T14:38:48.816896Z",
"updated_at": "2022-09-04T14:38:48.816913Z",
"structure_string": "Ba2 C2\n1.0\n8.236819 0.986236 -0.128833\n7.087871 -3.460185 -0.059178\n0.932407 2.366882 -3.774484\nBa C\n2 2\ndirect\n0.034272 0.034074 0.592098 Ba\n0.089753 0.527099 0.953543 Ba\n0.474737 0.322501 0.215392 C\n0.649296 0.238656 0.330250 C\n",
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{
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"created_at": "2022-09-04T14:37:49.915321Z",
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"structure_string": "Ba1 Al1 Si1 H1\n1.0\n2.172964 -3.763684 -0.000000\n2.172964 3.763684 -0.000000\n0.000000 0.000000 5.245049\nBa Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.998696 Ba\n0.666666 0.333332 0.535476 Al\n0.333332 0.666666 0.454703 Si\n0.666666 0.333332 0.868225 H\n",
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}
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