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{
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"results": [
{
"id": "jvasp-17668",
"created_at": "2022-09-04T14:38:15.916777Z",
"updated_at": "2022-09-04T14:38:15.916792Z",
"structure_string": "Np3 Sn3 Ir3\n1.0\n3.712794 -6.430748 0.000000\n3.712794 6.430748 -0.000000\n0.000000 -0.000000 4.013257\nNp Sn Ir\n3 3 3\ndirect\n0.412038 -0.000000 0.500000 Np\n-0.000000 0.412038 0.500000 Np\n0.587961 0.587961 0.500000 Np\n0.744576 -0.000001 0.000000 Sn\n0.255424 0.255424 0.000000 Sn\n-0.000001 0.744576 0.000000 Sn\n0.333332 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.666667 0.333332 0.000000 Ir\n",
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{
"id": "jvasp-79606",
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"updated_at": "2022-09-04T14:37:15.228249Z",
"structure_string": "V1 Fe1 Co1 Si1\n1.0\n-2.828453 -2.828453 0.000000\n-2.828453 -0.000000 -2.828453\n0.000000 -2.828453 -2.828453\nV Fe Co Si\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 V\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
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{
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"updated_at": "2022-09-04T14:35:44.282320Z",
"structure_string": "Np1 Si2 Pd2\n1.0\n3.835982 -0.000000 -1.453681\n-0.550887 3.796219 -1.453681\n0.042237 0.048808 5.899500\nNp Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.613278 0.613279 0.226559 Si\n0.386721 0.386722 0.773442 Si\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
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"volume": 86.45420103875205,
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"formula_full": "Np1 Si2 Pd2",
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{
"id": "jvasp-23353",
"created_at": "2022-09-04T14:37:54.959056Z",
"updated_at": "2022-09-04T14:37:54.959078Z",
"structure_string": "Dy8 Ti12 Si16\n1.0\n7.070342 0.000000 0.000000\n-0.000000 7.070342 0.000000\n0.000000 -0.000000 12.983065\nDy Ti Si\n8 12 16\ndirect\n0.998128 0.659856 0.033063 Dy\n0.001871 0.340144 0.533063 Dy\n0.659856 0.998128 0.966937 Dy\n0.159856 0.501871 0.783064 Dy\n0.840144 0.498129 0.283063 Dy\n0.501871 0.159856 0.216937 Dy\n0.498129 0.840144 0.716937 Dy\n0.340144 0.001871 0.466937 Dy\n0.653315 0.492404 0.873881 Ti\n0.492404 0.653315 0.126119 Ti\n0.172276 0.827723 0.250000 Ti\n0.827723 0.172276 0.750000 Ti\n0.672276 0.672276 0.500000 Ti\n0.327723 0.327723 0.000000 Ti\n0.507596 0.346685 0.626119 Ti\n0.992404 0.846685 0.623881 Ti\n0.007596 0.153315 0.123881 Ti\n0.846685 0.992404 0.376119 Ti\n0.346685 0.507596 0.373881 Ti\n0.153315 0.007596 0.876119 Ti\n0.129819 0.202160 0.316413 Si\n0.370181 0.702160 0.933588 Si\n0.629819 0.297840 0.433588 Si\n0.702160 0.370181 0.066413 Si\n0.297840 0.629819 0.566413 Si\n0.797839 0.870181 0.183588 Si\n0.290739 0.954775 0.065007 Si\n0.790738 0.545225 0.684994 Si\n0.454775 0.209261 0.815007 Si\n0.209261 0.454775 0.184994 Si\n0.709261 0.045225 0.565007 Si\n0.954775 0.290739 0.934994 Si\n0.045225 0.709261 0.434994 Si\n0.202160 0.129819 0.683588 Si\n0.545225 0.790738 0.315007 Si\n0.870181 0.797839 0.816413 Si\n",
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"density_atomic": 0.055468245132461284,
"volume": 649.0199917814234,
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"formula_full": "Dy8 Ti12 Si16",
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{
"id": "jvasp-30361",
"created_at": "2022-09-04T14:37:03.831394Z",
"updated_at": "2022-09-04T14:37:03.831427Z",
"structure_string": "Mn3 V3 Te2 O16\n1.0\n5.746824 -0.001694 0.057113\n-2.877424 4.971915 0.011827\n0.102139 0.065175 10.619413\nMn V Te O\n3 3 2 16\ndirect\n0.681915 0.836380 0.208516 Mn\n0.818344 0.650113 0.711551 Mn\n0.817920 0.169136 0.711760 Mn\n0.203743 0.842300 0.221950 V\n0.187117 0.365413 0.229620 V\n0.340994 0.170426 0.735388 V\n0.322630 0.662552 0.519411 Te\n0.681287 0.339310 0.014738 Te\n0.854240 0.671930 0.108522 O\n0.648913 0.325293 0.617921 O\n0.496231 0.017089 0.817779 O\n0.496317 0.478978 0.817177 O\n0.658239 0.830189 0.612703 O\n0.337571 0.167605 0.110007 O\n0.485305 0.506159 0.312379 O\n0.003256 0.002994 0.296062 O\n0.149876 0.318368 0.608299 O\n0.983006 0.991741 0.796960 O\n0.962527 0.481534 0.802511 O\n0.351930 0.671576 0.115607 O\n0.023296 0.509966 0.321501 O\n0.150471 0.833793 0.608488 O\n0.490617 0.980484 0.310290 O\n0.854262 0.176881 0.106577 O\n",
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"elements": [
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"density_atomic": 0.07912185029706263,
"volume": 303.32961008737925,
"volume_molar": 7.611223369258807,
"formula_full": "Mn3 V3 Te2 O16",
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"spacegroup": 1
},
{
"id": "jvasp-86256",
"created_at": "2022-09-04T14:36:03.215282Z",
"updated_at": "2022-09-04T14:36:03.215309Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Bi-Mn-Ti",
"density": 7.942785684542226,
"density_atomic": 0.0503980619393331,
"volume": 277.78845973983215,
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"formula_full": "Ti8 Mn2 Bi4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 140
},
{
"id": "jvasp-86858",
"created_at": "2022-09-04T14:35:40.821999Z",
"updated_at": "2022-09-04T14:35:40.822013Z",
"structure_string": "Ti8 Mn2 Bi4\n1.0\n4.756501 -0.000000 1.595918\n2.378250 7.440992 0.797960\n0.011300 -0.000000 7.852456\nTi Mn Bi\n8 2 4\ndirect\n0.691346 0.888065 0.729242 Ti\n0.308654 0.111934 0.270759 Ti\n0.579412 0.729241 0.111935 Ti\n0.079412 0.111934 0.729242 Ti\n0.808654 0.270759 0.111935 Ti\n0.420588 0.270759 0.888066 Ti\n0.920588 0.888065 0.270759 Ti\n0.191346 0.729241 0.888066 Ti\n0.250000 0.000000 0.000000 Mn\n0.750000 0.000000 0.000000 Mn\n0.139596 0.500000 0.220809 Bi\n0.360404 0.779191 0.500000 Bi\n0.860404 0.500000 0.779192 Bi\n0.639596 0.220809 0.500000 Bi\n",
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"spacegroup": 140
},
{
"id": "jvasp-105347",
"created_at": "2022-09-04T14:36:46.080328Z",
"updated_at": "2022-09-04T14:36:46.080352Z",
"structure_string": "Y1 U2 O6\n1.0\n4.907769 0.001182 -4.357084\n-0.494329 3.618985 -5.452427\n-0.005244 -0.001182 6.562800\nY U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.664824 0.664824 0.000001 U\n0.335176 0.335176 0.000000 U\n0.257158 0.500001 0.757158 O\n0.916431 0.169795 0.746636 O\n0.576841 0.830206 0.746637 O\n0.742843 0.500000 0.242844 O\n0.423160 0.169795 0.253365 O\n0.083570 0.830206 0.253365 O\n",
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"density": 9.425089058436274,
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"volume": 116.44982990534906,
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"formula_full": "Y1 U2 O6",
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"spacegroup": 71
},
{
"id": "jvasp-101094",
"created_at": "2022-09-04T14:36:48.441579Z",
"updated_at": "2022-09-04T14:36:48.441601Z",
"structure_string": "Ti1 Cr1 P2\n1.0\n3.467222 -0.000000 0.000000\n-1.733611 3.002702 0.000000\n0.000000 0.000000 5.744354\nTi Cr P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cr\n0.333333 0.666666 0.265730 P\n0.666666 0.333333 0.734270 P\n",
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"formula_full": "Ti1 Cr1 P2",
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{
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"created_at": "2022-09-04T14:37:00.945651Z",
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"structure_string": "Li2 Ir1 N2\n1.0\n3.254111 -0.000000 -0.000001\n-1.627053 2.818142 0.000000\n0.000000 0.000000 4.966921\nLi Ir N\n2 1 2\ndirect\n0.666667 0.333333 0.358820 Li\n0.333333 0.666667 0.641180 Li\n0.000000 0.000000 0.000000 Ir\n0.666667 0.333333 0.790675 N\n0.333333 0.666667 0.209325 N\n",
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{
"id": "jvasp-102225",
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"structure_string": "Ce3 Th3 Si4\n1.0\n7.766653 0.004074 0.000000\n-0.013984 7.766641 0.000000\n0.000000 0.000000 4.168427\nCe Th Si\n3 3 4\ndirect\n0.501915 0.996507 0.000000 Ce\n0.996508 0.501914 0.000000 Ce\n0.681505 0.681505 0.500000 Ce\n0.319197 0.319197 0.500000 Th\n0.180716 0.818494 0.500000 Th\n0.818494 0.180715 0.500000 Th\n0.113739 0.113739 0.000000 Si\n0.884333 0.884332 0.000000 Si\n0.614601 0.388993 0.000000 Si\n0.388993 0.614600 0.000000 Si\n",
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{
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"structure_string": "Ca1 C2\n1.0\n2.398884 1.384997 2.152067\n-2.398884 1.384997 2.152067\n0.000000 -2.769993 2.152067\nCa C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.597624 0.597624 0.597622 C\n0.402379 0.402379 0.402377 C\n",
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"volume": 42.90076281354281,
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"formula_full": "Ca1 C2",
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}
]
}