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{
"id": "jvasp-43150",
"created_at": "2022-09-04T14:36:40.968230Z",
"updated_at": "2022-09-04T14:36:40.968250Z",
"structure_string": "Li4 Cr4 Fe2 O12\n1.0\n4.963798 0.034409 0.000000\n-2.464739 4.308774 -0.000000\n-0.000000 0.000000 9.954226\nLi Cr Fe O\n4 4 2 12\ndirect\n0.148486 0.648486 0.750000 Li\n0.351514 0.851513 0.250000 Li\n0.648486 0.148486 0.750000 Li\n0.851514 0.351514 0.250000 Li\n0.161365 0.838633 0.500000 Cr\n0.338634 0.661365 0.000000 Cr\n0.661366 0.338634 0.000000 Cr\n0.838634 0.161366 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.506294 0.168491 0.394146 O\n0.823215 0.823215 0.397888 O\n0.331509 0.993706 0.894147 O\n0.676784 0.676784 0.897888 O\n0.323216 0.323215 0.102112 O\n0.006293 0.668490 0.105854 O\n0.493706 0.831509 0.605854 O\n0.168490 0.506293 0.394146 O\n0.993707 0.331509 0.894147 O\n0.831509 0.493706 0.605854 O\n0.176784 0.176784 0.602112 O\n0.668491 0.006294 0.105854 O\n",
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{
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"updated_at": "2022-09-04T14:36:42.761289Z",
"structure_string": "Nd4 Se4 O4\n1.0\n6.652141 3.007866 0.000000\n-6.652141 3.007866 0.000000\n0.000000 0.000000 6.008087\nNd Se O\n4 4 4\ndirect\n0.167258 0.832744 0.500000 Nd\n0.332744 0.667257 0.000000 Nd\n0.667257 0.332744 0.000000 Nd\n0.832744 0.167258 0.500000 Nd\n0.357898 0.357898 0.357246 Se\n0.857898 0.857898 0.142754 Se\n0.642103 0.642103 0.642755 Se\n0.142103 0.142103 0.857246 Se\n0.493598 0.993598 0.250000 O\n0.006403 0.506403 0.750000 O\n0.506403 0.006403 0.750000 O\n0.993598 0.493598 0.250000 O\n",
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"formula_full": "Nd4 Se4 O4",
"formula_reduced": "NdSeO",
"formula_anonymous": "ABC",
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"spacegroup": 64
},
{
"id": "jvasp-43152",
"created_at": "2022-09-04T14:36:44.153734Z",
"updated_at": "2022-09-04T14:36:44.153747Z",
"structure_string": "Li4 Mn4 Co2 O12\n1.0\n4.907749 0.024417 0.000000\n-2.445209 4.255297 -0.000000\n-0.000000 0.000000 9.953150\nLi Mn Co O\n4 4 2 12\ndirect\n0.159068 0.659068 0.750000 Li\n0.340933 0.840934 0.250000 Li\n0.659068 0.159068 0.750000 Li\n0.840933 0.340933 0.250000 Li\n0.163438 0.836563 0.500000 Mn\n0.336563 0.663438 0.000000 Mn\n0.663438 0.336563 0.000000 Mn\n0.836563 0.163438 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500001 0.500000 Co\n0.503027 0.162319 0.394287 O\n0.832421 0.832421 0.399562 O\n0.337682 0.996974 0.894287 O\n0.667581 0.667581 0.899562 O\n0.332420 0.332420 0.100438 O\n0.003027 0.662319 0.105713 O\n0.496974 0.837683 0.605713 O\n0.162319 0.503027 0.394287 O\n0.996974 0.337683 0.894287 O\n0.837682 0.496974 0.605713 O\n0.167580 0.167580 0.600438 O\n0.662319 0.003027 0.105713 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.10553829806539185,
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"formula_full": "Li4 Mn4 Co2 O12",
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{
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"created_at": "2022-09-04T14:36:44.209589Z",
"updated_at": "2022-09-04T14:36:44.209615Z",
"structure_string": "U2 H4 O8\n1.0\n2.110322 5.120867 0.000000\n-2.110322 5.120867 0.000000\n0.000000 0.000000 6.849480\nU H O\n2 4 8\ndirect\n0.499930 0.499930 0.502634 U\n0.000071 0.000071 0.002634 U\n0.831112 0.831112 0.359113 H\n0.668889 0.668889 0.859113 H\n0.168759 0.168759 0.645988 H\n0.331241 0.331241 0.145988 H\n0.334963 0.334963 0.604069 O\n0.664895 0.664895 0.401210 O\n0.165037 0.165037 0.104069 O\n0.835106 0.835106 0.901210 O\n0.071224 0.071224 0.652640 O\n0.928650 0.928650 0.352579 O\n0.428777 0.428777 0.152640 O\n0.571351 0.571351 0.852579 O\n",
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},
{
"id": "jvasp-11997",
"created_at": "2022-09-04T14:36:47.660712Z",
"updated_at": "2022-09-04T14:36:47.660732Z",
"structure_string": "As4\n1.0\n3.542312 0.000000 -1.175403\n-0.000000 4.607788 -0.000000\n-0.006730 -0.000000 5.905146\nAs\n4\ndirect\n0.890932 0.934497 0.781866 As\n0.109068 0.065504 0.218135 As\n0.609068 0.434497 0.218136 As\n0.390932 0.565504 0.781865 As\n",
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},
{
"id": "jvasp-12879",
"created_at": "2022-09-04T14:36:48.206893Z",
"updated_at": "2022-09-04T14:36:48.206925Z",
"structure_string": "Ba8 P4 O2\n1.0\n6.631158 0.000000 -2.839207\n-0.000000 7.572094 0.000000\n-0.058494 0.000000 9.026743\nBa P O\n8 4 2\ndirect\n0.676611 0.434428 0.353221 Ba\n0.323390 0.565571 0.646779 Ba\n0.176610 0.065571 0.353221 Ba\n0.823391 0.934428 0.646778 Ba\n0.729819 0.250000 0.959635 Ba\n0.770183 0.750000 0.040364 Ba\n0.270182 0.750000 0.040365 Ba\n0.229818 0.250000 0.959635 Ba\n0.134765 0.476952 0.269530 P\n0.865236 0.523047 0.730470 P\n0.365236 0.976952 0.730470 P\n0.634765 0.023048 0.269530 P\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 14,
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"elements": [
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"P",
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],
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"density": 4.608858296162434,
"density_atomic": 0.030974065957882987,
"volume": 451.99103078803125,
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"formula_full": "Ba8 P4 O2",
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},
{
"id": "jvasp-79353",
"created_at": "2022-09-04T14:36:49.265141Z",
"updated_at": "2022-09-04T14:36:49.265164Z",
"structure_string": "Pu4\n1.0\n0.000000 -0.000000 3.780340\n4.269537 0.000000 0.000000\n2.134769 4.672029 0.000000\nPu\n4\ndirect\n0.892394 0.379340 0.241318 Pu\n0.607607 0.879341 0.241318 Pu\n0.392397 0.120660 0.758683 Pu\n0.107606 0.620662 0.758683 Pu\n",
"nsites": 4,
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"spacegroup": 64
},
{
"id": "jvasp-102840",
"created_at": "2022-09-04T14:36:49.808101Z",
"updated_at": "2022-09-04T14:36:49.808113Z",
"structure_string": "Mn2 F8\n1.0\n4.543171 0.000000 0.000000\n-0.000000 4.721275 2.481773\n-0.000000 0.159446 5.449045\nMn F\n2 8\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.749833 0.174517 0.150220 F\n0.750167 0.674516 0.150220 F\n0.298590 0.342194 0.314801 F\n0.201410 0.842193 0.314801 F\n0.798590 0.157807 0.685197 F\n0.701410 0.657806 0.685197 F\n0.249833 0.325484 0.849778 F\n0.250167 0.825483 0.849778 F\n",
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{
"id": "jvasp-55356",
"created_at": "2022-09-04T14:36:53.797999Z",
"updated_at": "2022-09-04T14:36:53.798019Z",
"structure_string": "Mg6 V4 O16\n1.0\n6.076864 0.000000 0.000000\n-3.038432 5.764521 -0.000002\n0.000000 -0.000003 8.351098\nMg V O\n6 4 16\ndirect\n0.114008 0.728014 0.250000 Mg\n0.385993 0.271986 0.750000 Mg\n0.614007 0.728014 0.250000 Mg\n0.885992 0.271986 0.750000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.879888 0.759776 0.620067 V\n0.620111 0.240224 0.120067 V\n0.379889 0.759776 0.879933 V\n0.120112 0.240224 0.379933 V\n0.996913 0.993827 0.245593 O\n0.003087 0.006174 0.754407 O\n0.751584 0.503167 0.727635 O\n0.112464 0.764758 0.500553 O\n0.251583 0.503167 0.772366 O\n0.496913 0.993827 0.254407 O\n0.503087 0.006174 0.745593 O\n0.847705 0.235242 0.000553 O\n0.612463 0.764758 -0.000553 O\n0.652294 0.764758 0.500553 O\n0.887536 0.235242 0.499447 O\n0.152294 0.764758 -0.000553 O\n0.387536 0.235242 0.000553 O\n0.347706 0.235242 0.499447 O\n0.748417 0.496833 0.227635 O\n0.248416 0.496833 0.272366 O\n",
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{
"id": "jvasp-44474",
"created_at": "2022-09-04T14:36:56.333353Z",
"updated_at": "2022-09-04T14:36:56.333371Z",
"structure_string": "Li4 Ni4 Bi2 O12\n1.0\n5.345840 0.038443 0.000000\n2.692600 4.679543 0.000000\n0.000000 0.000000 9.961409\nLi Ni Bi O\n4 4 2 12\ndirect\n0.500000 0.151127 0.750000 Li\n0.500000 0.348872 0.250000 Li\n0.500000 0.651127 0.750000 Li\n0.500000 0.848872 0.250000 Li\n0.328074 0.335963 0.000000 Ni\n0.328074 0.835963 0.500000 Ni\n0.671927 0.164036 0.500000 Ni\n0.671927 0.664036 0.000000 Ni\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.623747 0.344230 0.888799 O\n0.623746 0.032024 0.111201 O\n0.376254 0.655769 0.111201 O\n0.376254 0.467975 0.611201 O\n0.376254 0.155769 0.388799 O\n0.000000 0.136038 0.599969 O\n0.376254 0.967975 0.888799 O\n0.000000 0.636038 0.900031 O\n0.000000 0.363961 0.099969 O\n0.623747 0.532023 0.388799 O\n0.000000 0.863961 0.400031 O\n0.623747 0.844230 0.611201 O\n",
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"formula_full": "Li4 Ni4 Bi2 O12",
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{
"id": "jvasp-18884",
"created_at": "2022-09-04T14:36:58.557303Z",
"updated_at": "2022-09-04T14:36:58.557322Z",
"structure_string": "Ag4 Se2\n1.0\n4.461067 -0.171468 0.000000\n-1.648684 4.148778 -0.000000\n-2.812383 -3.977310 6.897998\nAg Se\n4 2\ndirect\n0.212421 0.527793 0.370106 Ag\n0.527794 0.212420 0.870106 Ag\n0.472208 0.787581 0.129894 Ag\n0.787582 0.472207 0.629894 Ag\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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],
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},
{
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"created_at": "2022-09-04T14:36:59.083879Z",
"updated_at": "2022-09-04T14:36:59.083899Z",
"structure_string": "U4 P4 O18\n1.0\n5.761064 -0.015752 0.000000\n-1.387675 5.591463 -0.000000\n0.000000 -0.000000 12.753785\nU P O\n4 4 18\ndirect\n0.208705 0.791294 0.568763 U\n0.791293 0.208706 0.431237 U\n0.708705 0.291294 0.931236 U\n0.291293 0.708705 0.068763 U\n0.108943 0.891056 0.855788 P\n0.391055 0.608944 0.355788 P\n0.891055 0.108944 0.144212 P\n0.608943 0.391056 0.644212 P\n0.861089 0.138911 0.261483 O\n0.638910 0.361090 0.761483 O\n0.486015 0.854262 0.412877 O\n0.013983 0.645737 0.912877 O\n0.854261 0.486016 0.587122 O\n0.442309 0.557690 0.623352 O\n0.986015 0.354262 0.087123 O\n0.145737 0.513984 0.412877 O\n0.354261 0.986015 0.912877 O\n0.361089 0.638910 0.238517 O\n0.138909 0.861089 0.738517 O\n0.499999 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.942309 0.057690 0.876648 O\n0.557689 0.442310 0.376648 O\n0.057689 0.942309 0.123352 O\n0.513984 0.145738 0.587122 O\n0.645737 0.013984 0.087123 O\n",
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}
]
}