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{
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"results": [
{
"id": "jvasp-23640",
"created_at": "2022-09-04T14:37:39.118551Z",
"updated_at": "2022-09-04T14:37:39.118572Z",
"structure_string": "Nb3 Fe20 B6\n1.0\n6.456905 -0.000000 3.727896\n2.152302 6.087628 3.727896\n0.000000 -0.000000 7.455792\nNb Fe B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Nb\n0.250000 0.250000 0.250000 Nb\n-0.000000 0.653385 0.000000 Fe\n0.653385 0.346615 0.000000 Fe\n0.346616 0.000000 0.653385 Fe\n-0.000000 0.346615 0.000000 Fe\n-0.000000 0.653385 0.346616 Fe\n-0.000000 0.346615 0.653385 Fe\n0.346615 0.653385 0.000000 Fe\n0.000000 0.000000 0.346615 Fe\n0.346616 0.000000 0.000000 Fe\n0.615922 0.615922 0.615922 Fe\n0.384078 0.384078 0.847767 Fe\n0.384078 0.847767 0.384078 Fe\n0.615922 0.152233 0.615922 Fe\n0.152233 0.615922 0.615922 Fe\n0.615922 0.615922 0.152233 Fe\n0.384078 0.384078 0.384078 Fe\n0.000000 0.000000 0.653384 Fe\n0.653385 0.000000 0.346615 Fe\n0.653385 0.000000 0.000000 Fe\n0.847768 0.384078 0.384078 Fe\n0.268401 0.268401 0.731599 B\n0.731599 0.731599 0.268402 B\n0.731599 0.268401 0.731599 B\n0.268401 0.731599 0.268402 B\n0.268401 0.731599 0.731599 B\n0.731599 0.268401 0.268402 B\n",
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{
"id": "jvasp-22434",
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"updated_at": "2022-09-04T14:37:46.337523Z",
"structure_string": "Li4 Mg4 P4 O16\n1.0\n4.705183 -0.000000 0.000000\n0.000000 5.913614 0.000000\n0.000000 0.000000 10.169455\nLi Mg P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.018774 0.749999 0.277308 Mg\n0.981225 0.250000 0.722691 Mg\n0.481226 0.749999 0.777308 Mg\n0.518774 0.250000 0.222691 Mg\n0.583279 0.749999 0.093844 P\n0.916720 0.749999 0.593844 P\n0.416720 0.250000 0.906156 P\n0.083279 0.250000 0.406156 P\n0.297859 0.250000 0.048322 O\n0.702140 0.749999 0.951677 O\n0.242454 0.749999 0.599818 O\n0.797858 0.749999 0.451678 O\n0.757545 0.250000 0.400182 O\n0.257545 0.749999 0.099818 O\n0.221396 0.042752 0.334542 O\n0.221396 0.457248 0.334542 O\n0.742454 0.250000 0.900182 O\n0.278603 0.042752 0.834542 O\n0.778603 0.957248 0.665457 O\n0.721396 0.542751 0.165458 O\n0.202141 0.250000 0.548322 O\n0.778603 0.542751 0.665457 O\n0.278603 0.457248 0.834542 O\n0.721396 0.957248 0.165458 O\n",
"nsites": 28,
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"elements": [
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"Mg",
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],
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"density_atomic": 0.09895343164066646,
"volume": 282.9613843173981,
"volume_molar": 6.085833164299385,
"formula_full": "Li4 Mg4 P4 O16",
"formula_reduced": "LiMgPO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-42735",
"created_at": "2022-09-04T14:35:45.672532Z",
"updated_at": "2022-09-04T14:35:45.672549Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n0.000000 4.782624 -0.003677\n9.935683 0.000000 0.000000\n0.000000 -0.004677 -5.954962\nLi Mn Si O\n4 4 4 16\ndirect\n0.750038 0.294676 0.727431 Li\n0.250019 0.799467 0.772580 Li\n0.749979 0.299467 0.227421 Li\n0.249961 0.794676 0.272569 Li\n0.731731 0.023251 0.004698 Mn\n0.231739 0.070879 0.495304 Mn\n0.768260 0.570879 0.504696 Mn\n0.268268 0.523250 0.995302 Mn\n0.813033 0.703818 0.021572 Si\n0.313036 0.390310 0.478426 Si\n0.686963 0.890310 0.521574 Si\n0.186966 0.203818 0.978428 Si\n0.020689 0.124479 0.186063 O\n0.966430 0.635642 0.245485 O\n0.466437 0.458486 0.254525 O\n0.563770 0.735124 0.515598 O\n0.972852 0.399953 0.487021 O\n0.520688 0.969650 0.313934 O\n0.479310 0.469651 0.686066 O\n0.527151 0.194177 0.987014 O\n0.436229 0.235124 0.484402 O\n0.533561 0.958486 0.745476 O\n0.033568 0.135642 0.754515 O\n0.979309 0.624479 0.813937 O\n0.472847 0.694177 0.012986 O\n0.063786 0.359005 0.984406 O\n0.027146 0.899953 0.512979 O\n0.936213 0.859005 0.015594 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.09894977452579054,
"volume": 282.9718423734458,
"volume_molar": 6.086058092462225,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-46464",
"created_at": "2022-09-04T14:35:43.322485Z",
"updated_at": "2022-09-04T14:35:43.322515Z",
"structure_string": "Li2 Mn3 Nb1 O8\n1.0\n5.868016 0.021833 0.015439\n2.952917 5.070935 0.015439\n2.952917 1.704867 4.775777\nLi Mn Nb O\n2 3 1 8\ndirect\n0.123809 0.123808 0.123809 Li\n0.876192 0.876192 0.876193 Li\n0.000000 0.500001 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500001 Nb\n0.264244 0.264244 0.264244 O\n0.253057 0.253057 0.721895 O\n0.253057 0.721895 0.253057 O\n0.721895 0.253056 0.253057 O\n0.278105 0.746944 0.746944 O\n0.746944 0.278105 0.746944 O\n0.746944 0.746943 0.278106 O\n0.735757 0.735757 0.735757 O\n",
"nsites": 14,
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],
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"density": 4.689555860534653,
"density_atomic": 0.09894358806655089,
"volume": 141.49476761024067,
"volume_molar": 6.086438623945415,
"formula_full": "Li2 Mn3 Nb1 O8",
"formula_reduced": "Li2Mn3NbO8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-8640",
"created_at": "2022-09-04T14:36:46.027323Z",
"updated_at": "2022-09-04T14:36:46.027333Z",
"structure_string": "Li1 Mn1 O2\n1.0\n3.147609 -0.179778 0.080248\n-1.728992 2.636366 -0.080314\n0.149179 -0.086056 5.066533\nLi Mn O\n1 1 2\ndirect\n0.676416 0.323574 0.414222 Li\n0.980970 0.018992 0.974823 Mn\n0.369111 0.630869 0.219549 O\n0.640098 0.359859 0.782806 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.855815275651127,
"density_atomic": 0.09893819928462871,
"volume": 40.4292783669194,
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"formula_full": "Li1 Mn1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 8
},
{
"id": "jvasp-30278",
"created_at": "2022-09-04T14:38:29.009520Z",
"updated_at": "2022-09-04T14:38:29.009545Z",
"structure_string": "Fe2 Co4 O12\n1.0\n4.901161 -0.000523 -0.000000\n2.437699 4.236543 -0.000000\n-0.000000 -0.000000 8.761835\nFe Co O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.333351 0.333326 0.000000 Co\n0.333351 0.833325 0.500000 Co\n0.666649 0.166675 0.500000 Co\n0.666649 0.666674 0.000000 Co\n0.668334 0.331416 0.893331 O\n0.668334 0.000251 0.106670 O\n0.331666 0.668584 0.106670 O\n0.331666 0.499749 0.606670 O\n0.331666 0.168585 0.393330 O\n0.000000 0.668311 0.893369 O\n0.331666 -0.000250 0.893331 O\n0.668334 0.500251 0.393330 O\n0.000000 0.331688 0.106632 O\n0.000000 0.168312 0.606632 O\n0.000000 0.831688 0.393369 O\n0.668334 0.831415 0.606670 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 4.923118169647161,
"density_atomic": 0.0989327729294617,
"volume": 181.9417314102159,
"volume_molar": 6.087103981502409,
"formula_full": "Fe2 Co4 O12",
"formula_reduced": "Fe(CoO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.093369811111111,
"spacegroup": 64
},
{
"id": "jvasp-38749",
"created_at": "2022-09-04T14:37:59.762524Z",
"updated_at": "2022-09-04T14:37:59.762547Z",
"structure_string": "Li4 Ti8 O16\n1.0\n0.000000 8.184204 0.006193\n3.847836 0.000000 0.000000\n0.000000 -0.012549 -8.987240\nLi Ti O\n4 8 16\ndirect\n0.996681 0.750001 0.097950 Li\n0.003318 0.250000 0.902050 Li\n0.250634 0.250000 0.590942 Li\n0.749365 0.750001 0.409059 Li\n0.726748 0.250000 0.129334 Ti\n0.260554 0.250000 0.141536 Ti\n0.491575 0.250000 0.363456 Ti\n0.010700 0.250000 0.360609 Ti\n0.989299 0.750001 0.639392 Ti\n0.739446 0.750001 0.858464 Ti\n0.273252 0.750001 0.870666 Ti\n0.508424 0.750001 0.636544 Ti\n0.008657 0.250000 0.600391 O\n0.751005 0.250000 0.344689 O\n0.248719 0.250000 0.365102 O\n0.991343 0.750001 0.399610 O\n0.509154 0.750001 0.401709 O\n0.490845 0.250000 0.598292 O\n0.751281 0.750001 0.634898 O\n0.755126 0.750001 0.096290 O\n0.001726 0.750001 0.857006 O\n0.502354 0.750001 0.859851 O\n0.760295 0.250000 0.899015 O\n0.244873 0.250000 0.903710 O\n0.998274 0.250000 0.142994 O\n0.239704 0.750001 0.100986 O\n0.248994 0.750001 0.655312 O\n0.497645 0.250000 0.140149 O\n",
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"volume": 283.0211427864136,
"volume_molar": 6.087118428270862,
"formula_full": "Li4 Ti8 O16",
"formula_reduced": "LiTi2O4",
"formula_anonymous": "AB2C4",
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"spacegroup": 11
},
{
"id": "jvasp-46738",
"created_at": "2022-09-04T14:38:03.734653Z",
"updated_at": "2022-09-04T14:38:03.734674Z",
"structure_string": "Li4 Mn1 Ni3 P4 O16\n1.0\n0.000000 4.704364 -0.008846\n5.938295 0.000000 0.000000\n0.000000 0.003793 -10.131218\nLi Mn Ni P O\n4 1 3 4 16\ndirect\n0.997052 0.250419 0.995636 Li\n0.997052 0.749581 0.995636 Li\n0.502307 0.747019 0.505626 Li\n0.502307 0.252982 0.505626 Li\n0.022174 0.000000 0.277657 Mn\n0.982171 0.500000 0.726492 Ni\n0.519325 0.500000 0.222252 Ni\n0.478640 0.000000 0.775522 Ni\n0.084949 0.500000 0.408286 P\n0.417922 0.500000 0.906125 P\n0.579438 0.000000 0.087972 P\n0.917735 0.000000 0.597880 P\n0.227352 0.705577 0.336562 O\n0.243826 0.000000 0.598949 O\n0.254008 0.000000 0.091875 O\n0.277016 0.292705 0.834752 O\n0.277016 0.707296 0.834752 O\n0.294429 0.500000 0.048659 O\n0.705929 0.000000 0.946270 O\n0.777703 0.208596 0.667711 O\n0.716799 0.207503 0.160013 O\n0.743919 0.500000 0.902605 O\n0.759260 0.500000 0.402508 O\n0.777703 0.791405 0.667711 O\n0.227352 0.294424 0.336562 O\n0.795170 0.000000 0.455316 O\n0.716799 0.792498 0.160013 O\n0.204628 0.500000 0.551042 O\n",
"nsites": 28,
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"volume_molar": 6.087190763788926,
"formula_full": "Li4 Mn1 Ni3 P4 O16",
"formula_reduced": "Li4MnNi3(PO4)4",
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},
{
"id": "jvasp-99596",
"created_at": "2022-09-04T14:36:36.830091Z",
"updated_at": "2022-09-04T14:36:36.830126Z",
"structure_string": "Al2 Rh2 O6\n1.0\n3.141560 -0.000000 0.000000\n-1.570780 2.720671 0.000000\n-0.000000 -0.000000 11.826342\nAl Rh O\n2 2 6\ndirect\n0.333333 0.666666 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.333333 0.666666 0.085569 O\n0.000000 0.000000 0.250000 O\n0.333333 0.666666 0.414430 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.585569 O\n0.666667 0.333333 0.914430 O\n",
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],
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"volume": 101.08153306032962,
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"formula_full": "Al2 Rh2 O6",
"formula_reduced": "AlRhO3",
"formula_anonymous": "ABC3",
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"spacegroup": 194
},
{
"id": "jvasp-78505",
"created_at": "2022-09-04T14:37:11.782865Z",
"updated_at": "2022-09-04T14:37:11.782885Z",
"structure_string": "Fe1 O2\n1.0\n-1.407213 -2.437229 -0.003463\n-1.407095 2.437160 -0.000000\n0.001416 0.000817 -4.421286\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.332964 0.666481 0.218405 O\n0.667032 0.333515 0.781595 O\n",
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],
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"volume": 30.32568723524469,
"volume_molar": 6.087518572479292,
"formula_full": "Fe1 O2",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-47507",
"created_at": "2022-09-04T14:36:33.895183Z",
"updated_at": "2022-09-04T14:36:33.895199Z",
"structure_string": "Li4 Fe2 P2 O10\n1.0\n6.405503 0.000000 0.000000\n0.000000 6.405503 -0.000000\n0.000000 -0.000000 4.434980\nLi Fe P O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.500000 0.000000 0.071398 Fe\n0.000000 0.500000 0.928602 Fe\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.693647 0.500000 0.790740 O\n0.306352 0.500000 0.790740 O\n0.000000 0.500000 0.329324 O\n0.500000 0.306352 0.209260 O\n0.193647 0.000000 0.209260 O\n0.500000 0.000000 0.670676 O\n0.806352 0.000000 0.209260 O\n0.500000 0.693647 0.209260 O\n0.000000 0.193647 0.790740 O\n0.000000 0.806352 0.790740 O\n",
"nsites": 18,
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],
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"density_atomic": 0.09891778013478307,
"volume": 181.9693079997713,
"volume_molar": 6.088026593191205,
"formula_full": "Li4 Fe2 P2 O10",
"formula_reduced": "Li2FePO5",
"formula_anonymous": "ABC2D5",
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},
{
"id": "jvasp-9520",
"created_at": "2022-09-04T14:37:11.090801Z",
"updated_at": "2022-09-04T14:37:11.090811Z",
"structure_string": "Mg2 Ni2 P2 O10\n1.0\n5.260443 -0.144592 0.410557\n-1.417056 5.128393 -0.070905\n-1.082326 -1.968729 5.941767\nMg Ni P O\n2 2 2 10\ndirect\n0.886534 0.725582 0.258560 Mg\n0.114655 0.277053 0.727687 Mg\n0.500593 0.001336 0.493147 Ni\n0.500577 0.001326 -0.006853 Ni\n0.237754 0.354866 0.238955 P\n0.763432 0.647812 0.747326 P\n0.523496 0.371403 0.179812 O\n0.180618 0.154418 0.385872 O\n0.477697 0.631255 0.806490 O\n0.820536 0.848220 0.600380 O\n0.775730 0.362936 0.604069 O\n-0.026854 0.734057 0.955056 O\n0.225464 0.639729 0.382256 O\n0.028068 0.268712 0.031223 O\n0.385335 0.076534 0.757532 O\n0.615849 0.926128 0.228761 O\n",
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"elements": [
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],
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"volume": 161.75607906638643,
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"formula_full": "Mg2 Ni2 P2 O10",
"formula_reduced": "MgNiPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
}
]
}