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{
"id": "jvasp-25612",
"created_at": "2022-09-04T14:37:48.977639Z",
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"structure_string": "Nd12 Nb4 O28\n1.0\n7.663464 0.000000 0.000000\n0.000000 7.691680 0.000000\n0.000000 0.000000 11.008165\nNd Nb O\n12 4 28\ndirect\n0.487590 0.290434 0.250000 Nd\n0.749253 0.546586 0.475322 Nd\n0.250746 0.453414 0.524677 Nd\n0.987590 0.209565 0.250000 Nd\n0.750746 0.046586 0.975322 Nd\n0.750746 0.046586 0.524677 Nd\n0.512409 0.709565 0.750000 Nd\n0.250746 0.453414 0.975322 Nd\n0.012409 0.790434 0.750000 Nd\n0.249254 0.953414 0.024678 Nd\n0.749253 0.546586 0.024678 Nd\n0.249254 0.953414 0.475322 Nd\n0.504074 0.247309 0.750000 Nb\n0.004075 0.252691 0.750000 Nb\n0.495925 0.752691 0.250000 Nb\n0.995925 0.747309 0.250000 Nb\n0.247299 0.333504 0.750000 O\n0.044739 0.591510 0.386391 O\n0.538010 0.449533 0.873360 O\n0.256514 0.727128 0.882255 O\n0.756513 0.772872 0.882255 O\n0.461989 0.550467 0.126640 O\n0.747298 0.166496 0.750000 O\n0.544739 0.908490 0.113609 O\n0.243486 0.227128 0.117745 O\n0.955260 0.408490 0.613608 O\n0.044739 0.591510 0.113609 O\n0.544739 0.908490 0.386391 O\n0.955260 0.408490 0.886391 O\n0.256514 0.727128 0.617744 O\n0.455261 0.091510 0.886391 O\n0.743486 0.272872 0.117745 O\n0.455261 0.091510 0.613608 O\n0.243486 0.227128 0.382255 O\n0.461989 0.550467 0.373360 O\n0.252701 0.833504 0.250000 O\n0.756513 0.772872 0.617744 O\n0.961989 0.949533 0.373360 O\n0.538010 0.449533 0.626640 O\n0.752701 0.666496 0.250000 O\n0.961989 0.949533 0.126640 O\n0.038011 0.050467 0.626640 O\n0.743486 0.272872 0.382255 O\n0.038011 0.050467 0.873360 O\n",
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{
"id": "jvasp-78644",
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"structure_string": "Mn1 Co1 Sb1\n1.0\n3.563764 -0.000000 2.057540\n1.187922 3.359949 2.057540\n0.000000 -0.000000 4.115080\nMn Co Sb\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Sb\n",
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"volume": 49.27423658549118,
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},
{
"id": "jvasp-35073",
"created_at": "2022-09-04T14:37:47.813588Z",
"updated_at": "2022-09-04T14:37:47.813615Z",
"structure_string": "Pd4 N2\n1.0\n2.647612 0.000000 -0.000000\n-0.000000 2.647612 0.000000\n-0.000000 0.000000 14.671985\nPd N\n4 2\ndirect\n0.000000 0.000000 0.587561 Pd\n0.000000 0.000000 0.412439 Pd\n0.000000 0.000000 0.237834 Pd\n0.000000 0.000000 0.762165 Pd\n0.500000 0.500000 0.962135 N\n0.500000 0.500000 0.037864 N\n",
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"formula_full": "Pd4 N2",
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},
{
"id": "jvasp-77305",
"created_at": "2022-09-04T14:37:51.814873Z",
"updated_at": "2022-09-04T14:37:51.814882Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n-8.657696 -0.000000 -4.998523\n-5.586817 -1.235467 -0.320395\n-4.165767 2.783872 -2.781727\nAl Tc Pd\n2 1 1\ndirect\n0.743702 0.000001 0.000001 Al\n0.256297 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:18.876061Z",
"updated_at": "2022-09-04T14:37:18.876087Z",
"structure_string": "Er2 Ta2 O8\n1.0\n4.745843 -0.000566 -1.789295\n-1.277409 4.749590 -1.977057\n-0.000242 0.005950 6.481537\nEr Ta O\n2 2 8\ndirect\n0.381184 0.631184 0.262368 Er\n0.618815 0.368815 0.737632 Er\n0.852749 0.102749 0.205499 Ta\n0.147250 0.897250 0.794501 Ta\n0.002116 0.785480 0.062239 O\n0.560122 0.276758 0.062239 O\n0.997883 0.214519 0.937762 O\n0.439877 0.723241 0.937761 O\n0.211240 0.371455 0.423132 O\n0.711891 0.051676 0.423132 O\n0.788760 0.628544 0.576869 O\n0.288108 0.948323 0.576868 O\n",
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},
{
"id": "jvasp-56448",
"created_at": "2022-09-04T14:37:01.706990Z",
"updated_at": "2022-09-04T14:37:01.707011Z",
"structure_string": "Mn8 Co8 Sb8\n1.0\n7.091612 -0.000000 4.094344\n2.363871 6.686036 4.094344\n-0.000000 -0.000000 8.188689\nMn Co Sb\n8 8 8\ndirect\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.120970 0.637090 0.120970 Co\n0.120970 0.120970 0.637090 Co\n0.637090 0.120970 0.120970 Co\n0.879029 0.879030 0.879029 Co\n0.120970 0.120970 0.120970 Co\n0.879029 0.879030 0.362909 Co\n0.362910 0.879030 0.879029 Co\n0.879030 0.362910 0.879029 Co\n0.750000 0.750000 0.749999 Sb\n0.732197 0.267802 0.732197 Sb\n0.732197 0.267802 0.267802 Sb\n0.267802 0.267802 0.732198 Sb\n0.732197 0.732198 0.267802 Sb\n0.267802 0.732198 0.732197 Sb\n0.267802 0.732198 0.267802 Sb\n0.250000 0.250000 0.250000 Sb\n",
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"volume": 388.2648311673886,
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"formula_full": "Mn8 Co8 Sb8",
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{
"id": "jvasp-19068",
"created_at": "2022-09-04T14:37:02.181249Z",
"updated_at": "2022-09-04T14:37:02.181273Z",
"structure_string": "Nd6 Nb2 O14\n1.0\n6.671258 -0.017131 0.000000\n-2.427046 6.214130 0.000000\n-0.000000 0.000000 7.726647\nNd Nb O\n6 2 14\ndirect\n0.926165 0.475680 0.750000 Nd\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.524320 0.073835 0.250000 Nd\n0.475679 0.926165 0.750000 Nd\n0.073835 0.524320 0.250000 Nd\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.438395 0.183926 0.537424 O\n0.561605 0.816074 0.037424 O\n0.816074 0.561606 0.037424 O\n0.576162 0.576162 0.750000 O\n0.438395 0.183926 0.962577 O\n0.816074 0.561606 0.462577 O\n0.183925 0.438394 0.962577 O\n0.155578 0.893844 0.250000 O\n0.844422 0.106156 0.750000 O\n0.893844 0.155578 0.250000 O\n0.106156 0.844422 0.750000 O\n0.423838 0.423838 0.250000 O\n0.561605 0.816074 0.462577 O\n0.183925 0.438394 0.537424 O\n",
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},
{
"id": "jvasp-41278",
"created_at": "2022-09-04T14:37:52.381375Z",
"updated_at": "2022-09-04T14:37:52.381404Z",
"structure_string": "Ti1 Zn1 Ir2\n1.0\n0.000001 3.066552 3.066552\n3.066553 0.000001 3.066552\n3.066554 3.066553 -0.000000\nTi Zn Ir\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.749999 0.749999 Zn\n0.000000 0.000000 0.000000 Ir\n0.499999 0.499998 0.499998 Ir\n",
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},
{
"id": "jvasp-11697",
"created_at": "2022-09-04T14:38:13.933534Z",
"updated_at": "2022-09-04T14:38:13.933555Z",
"structure_string": "Li1 Fe1 As2 O7\n1.0\n4.766116 -0.010489 -0.738180\n-1.011159 5.147750 -1.134507\n-0.015573 0.004048 5.367379\nLi Fe As O\n1 1 2 7\ndirect\n0.000001 0.252463 0.747542 Li\n-0.000001 0.874417 0.125583 Fe\n0.592029 0.320100 0.245009 As\n0.407971 0.754988 0.679901 As\n0.500001 0.452835 0.547164 O\n0.274225 0.162650 0.042810 O\n0.167554 0.640566 0.852468 O\n0.832449 0.147533 0.359434 O\n0.725776 0.957186 0.837350 O\n0.739967 0.558450 0.115070 O\n0.260034 0.884931 0.441548 O\n",
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{
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"created_at": "2022-09-04T14:38:03.561027Z",
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"structure_string": "Hf2 Co2\n1.0\n-3.237075 0.000000 0.000000\n-0.000000 -0.000000 -4.100258\n1.618538 -4.731848 -0.000000\nHf Co\n2 2\ndirect\n0.859498 0.750000 0.719001 Hf\n0.140500 0.250000 0.281000 Hf\n0.585281 0.750000 0.170562 Co\n0.414718 0.250000 0.829438 Co\n",
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},
{
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"created_at": "2022-09-04T14:38:41.083542Z",
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"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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},
{
"id": "jvasp-117314",
"created_at": "2022-09-04T14:38:26.525036Z",
"updated_at": "2022-09-04T14:38:26.525073Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
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}
]
}