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{
"id": "jvasp-93868",
"created_at": "2022-09-04T14:36:20.773327Z",
"updated_at": "2022-09-04T14:36:20.773346Z",
"structure_string": "Ti2 H4\n1.0\n0.000000 0.000000 3.051797\n4.038960 -0.000000 0.000000\n-0.000000 4.038960 0.000000\nTi H\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.180614 0.819386 H\n0.500000 0.819386 0.180614 H\n0.000000 0.319386 0.319386 H\n0.000000 0.680614 0.680614 H\n",
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{
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"created_at": "2022-09-04T14:37:30.552173Z",
"updated_at": "2022-09-04T14:37:30.552193Z",
"structure_string": "Li3 V2 O6\n1.0\n4.908466 0.073670 -0.107243\n-2.341290 4.389165 0.001367\n-1.088663 -1.648741 4.786802\nLi V O\n3 2 6\ndirect\n0.004303 0.500335 -0.000283 Li\n0.680384 0.884971 -0.038534 Li\n0.328272 0.115735 0.038093 Li\n0.832508 0.676867 0.455332 V\n0.176173 0.323898 0.544161 V\n0.801745 0.297657 0.258717 O\n0.206953 0.703099 0.740774 O\n0.960023 0.085073 0.738695 O\n0.426469 0.555300 0.275624 O\n0.582243 0.445497 0.723822 O\n0.048691 0.915706 0.260808 O\n",
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{
"id": "jvasp-119421",
"created_at": "2022-09-04T14:38:51.194387Z",
"updated_at": "2022-09-04T14:38:51.194412Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.783711 -0.003395 1.098002\n0.729989 6.324760 0.434743\n-0.042458 0.014753 7.551388\nLi Mn Co O\n8 2 4 14\ndirect\n0.920231 0.155350 0.632920 Li\n0.644268 0.704040 0.229636 Li\n0.509902 0.998507 0.501563 Li\n0.215708 0.564947 0.075886 Li\n0.060327 0.845442 0.365195 Li\n0.774707 0.436604 0.920296 Li\n0.372761 0.293051 0.772967 Li\n0.715869 0.569217 0.568380 Li\n0.999746 0.001466 0.001132 Mn\n0.146494 0.707850 0.707430 Mn\n0.572202 0.856587 0.856029 Co\n0.284649 0.430303 0.430176 Co\n0.428037 0.142921 0.144029 Co\n0.856291 0.287463 0.287926 Co\n0.449157 0.593043 0.821559 O\n0.249766 0.984505 0.763892 O\n0.974590 0.550864 0.322316 O\n0.829409 0.853764 0.626101 O\n0.535391 0.407552 0.193843 O\n0.371615 0.708200 0.474621 O\n0.107833 0.266570 0.046410 O\n0.680448 0.128071 0.906191 O\n0.603962 0.290387 0.517534 O\n0.319403 0.875107 0.094531 O\n0.179905 0.164124 0.376494 O\n0.891439 0.731210 0.952910 O\n0.751631 0.011931 0.236139 O\n0.054253 0.440907 0.673888 O\n",
"nsites": 28,
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-15743",
"created_at": "2022-09-04T14:36:11.464899Z",
"updated_at": "2022-09-04T14:36:11.464918Z",
"structure_string": "Er1 Si2 Pt2\n1.0\n3.937134 -0.000000 -1.520771\n-0.587418 3.893065 -1.520771\n-0.057786 -0.067160 5.707216\nEr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.619153 0.619154 0.238306 Si\n0.380845 0.380847 0.761694 Si\n0.249999 0.750001 0.500000 Pt\n0.749999 0.250000 0.500000 Pt\n",
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"volume": 86.67322450396642,
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},
{
"id": "jvasp-73859",
"created_at": "2022-09-04T14:35:52.927751Z",
"updated_at": "2022-09-04T14:35:52.927773Z",
"structure_string": "Be1 V2 In1\n1.0\n3.142719 0.000000 -0.000000\n0.000000 3.142719 0.000000\n0.000000 0.000000 5.947000\nBe V In\n1 2 1\ndirect\n0.000000 0.000000 0.461890 Be\n0.000000 0.000000 0.062637 V\n0.500000 0.500000 0.239664 V\n0.500000 0.500000 0.735810 In\n",
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"formula_full": "Be1 V2 In1",
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},
{
"id": "jvasp-119587",
"created_at": "2022-09-04T14:38:52.309324Z",
"updated_at": "2022-09-04T14:38:52.309360Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.068490 0.006132 2.002681\n1.418641 5.899288 1.961548\n-0.015215 0.017927 6.382244\nLi Mn Co O\n8 2 4 14\ndirect\n0.918598 0.227081 0.364698 Li\n0.212720 0.367199 0.924779 Li\n0.510094 0.500322 0.508732 Li\n0.648435 0.075924 0.782074 Li\n0.362911 0.921788 0.214318 Li\n0.060762 0.773757 0.645503 Li\n0.786803 0.630674 0.067417 Li\n0.849734 0.435761 0.712287 Li\n0.995801 0.003886 -0.000043 Mn\n0.284590 0.149259 0.570427 Mn\n0.430136 0.713620 0.855785 Co\n0.717094 0.853935 0.429972 Co\n0.572828 0.286599 0.140087 Co\n0.141302 0.568835 0.287162 Co\n0.113161 0.688810 0.975382 O\n0.886888 0.299368 0.042228 O\n0.188447 0.451740 0.590395 O\n0.452940 0.595838 0.164234 O\n0.598153 0.168431 0.456388 O\n0.307950 0.031667 0.884951 O\n0.029856 0.878820 0.310763 O\n0.729790 0.757147 0.740085 O\n0.985659 0.097425 0.687426 O\n0.259763 0.256399 0.261892 O\n0.529427 0.403458 0.840699 O\n0.688623 0.975238 0.114256 O\n0.406084 0.833392 0.541725 O\n0.831436 0.553633 0.386374 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-119339",
"created_at": "2022-09-04T14:38:44.277762Z",
"updated_at": "2022-09-04T14:38:44.277788Z",
"structure_string": "Li4 V4 Sn2 O12\n1.0\n4.572360 0.000173 -2.564418\n0.001119 10.072924 0.000697\n0.023369 0.000128 5.242347\nLi V Sn O\n4 4 2 12\ndirect\n0.646334 0.750013 0.146143 Li\n0.853839 0.249988 0.353684 Li\n0.146139 0.750018 0.646350 Li\n0.353662 0.249984 0.853850 Li\n0.343126 -0.000001 0.656884 V\n0.156885 0.499998 0.843111 V\n0.843176 0.499997 0.156820 V\n0.656825 -0.000001 0.343183 V\n0.999971 0.000002 0.000025 Sn\n0.500025 0.500001 0.499965 Sn\n0.157998 0.391995 0.510650 O\n0.989352 0.891994 0.342116 O\n0.842051 0.608007 0.489287 O\n0.510708 0.391993 0.157946 O\n0.342065 0.891994 0.989409 O\n0.165706 0.606523 0.165631 O\n0.834361 0.393476 0.834285 O\n0.665744 0.893472 0.665807 O\n0.334206 0.106527 0.334269 O\n0.489345 0.608005 0.842000 O\n0.657889 0.108005 0.010655 O\n0.010598 0.108004 0.657940 O\n",
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],
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"formula_full": "Li4 V4 Sn2 O12",
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},
{
"id": "jvasp-112915",
"created_at": "2022-09-04T14:38:44.373038Z",
"updated_at": "2022-09-04T14:38:44.373064Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.237751 -0.091924 0.848062\n-9.174160 4.544754 0.848062\n-0.027466 -0.114989 4.965373\nLi Mn Co O\n8 2 4 14\ndirect\n0.784871 0.215129 0.499999 Li\n0.215128 0.784870 0.500000 Li\n0.640431 0.359569 0.499999 Li\n0.064561 0.935437 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.935438 0.064563 0.499999 Li\n0.359568 0.640431 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.860197 0.139804 -0.000000 Mn\n0.139803 0.860196 -0.000000 Mn\n0.570498 0.429502 -0.000000 Co\n0.429502 0.570498 -0.000000 Co\n0.285806 0.714193 -0.000000 Co\n0.714193 0.285807 -0.000000 Co\n0.168920 0.321986 0.770569 O\n0.545916 0.976267 0.219959 O\n0.976267 0.545917 0.219959 O\n0.401621 0.114294 0.221338 O\n0.831079 0.678014 0.229430 O\n0.279226 0.279226 0.226365 O\n0.678014 0.831079 0.229430 O\n0.114294 0.401621 0.221338 O\n0.023732 0.454083 0.780040 O\n0.454083 0.023733 0.780040 O\n0.885706 0.598379 0.778661 O\n0.321985 0.168921 0.770569 O\n0.720773 0.720774 0.773634 O\n0.598378 0.885705 0.778661 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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"formula_anonymous": "AB2C4D7",
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{
"id": "jvasp-35317",
"created_at": "2022-09-04T14:37:37.055633Z",
"updated_at": "2022-09-04T14:37:37.055652Z",
"structure_string": "Lu1 In1 Co4\n1.0\n-3.486800 -3.486800 0.000000\n-3.486800 0.000000 -3.486800\n-0.000000 -3.486800 -3.486800\nLu In Co\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 In\n0.374689 0.374689 0.374689 Co\n0.875934 0.374689 0.374689 Co\n0.374689 0.875934 0.374689 Co\n0.374689 0.374689 0.875934 Co\n",
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"volume": 84.783454440064,
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"formula_full": "Lu1 In1 Co4",
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"spacegroup": 216
},
{
"id": "jvasp-45805",
"created_at": "2022-09-04T14:38:05.128865Z",
"updated_at": "2022-09-04T14:38:05.128890Z",
"structure_string": "Li8 Cr1 Fe3 O12\n1.0\n4.839255 -0.004218 -0.000412\n0.015366 4.840807 -0.000113\n0.000810 0.000096 8.253330\nLi Cr Fe O\n8 1 3 12\ndirect\n0.000000 0.499996 0.234002 Li\n0.999988 0.500002 0.923059 Li\n0.000002 -0.000005 0.251553 Li\n0.000001 0.000001 0.562484 Li\n0.499994 0.500000 0.068500 Li\n0.499996 0.500005 0.754019 Li\n0.499999 0.000000 0.418526 Li\n0.500005 0.000006 0.731867 Li\n0.000003 0.000001 0.898529 Cr\n0.499999 0.500001 0.401745 Fe\n0.500000 -0.000002 0.086660 Fe\n0.000001 0.500001 0.583453 Fe\n0.174797 0.713781 0.418515 O\n0.861141 0.252682 0.741877 O\n0.825205 0.286216 0.418514 O\n0.822386 0.214985 0.068655 O\n0.672078 0.782418 0.920096 O\n0.673777 0.715580 0.567620 O\n0.647987 0.750948 0.244262 O\n0.352015 0.249050 0.244262 O\n0.326227 0.284424 0.567618 O\n0.327924 0.217582 0.920098 O\n0.177618 0.785015 0.068653 O\n0.138860 0.747320 0.741877 O\n",
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],
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"volume": 193.3422155425702,
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"formula_full": "Li8 Cr1 Fe3 O12",
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"formula_anonymous": "AB3C8D12",
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"spacegroup": 3
},
{
"id": "jvasp-116824",
"created_at": "2022-09-04T14:38:45.914656Z",
"updated_at": "2022-09-04T14:38:45.914685Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.172449 -0.000290 -0.002530\n-0.000380 8.960217 0.006643\n-0.002614 0.000660 9.565736\nLi Mn P O\n4 4 4 16\ndirect\n0.499898 0.499943 0.239346 Li\n0.999883 -0.000057 0.239410 Li\n-0.000112 0.999895 0.739397 Li\n0.499878 0.499897 0.739346 Li\n0.499817 0.833366 0.122621 Mn\n0.499873 0.166679 0.622620 Mn\n0.999869 0.333363 0.122628 Mn\n-0.000170 0.666679 0.622626 Mn\n0.000050 0.666647 0.259223 P\n0.500117 0.166650 0.259219 P\n0.500018 0.833338 0.759222 P\n0.000083 0.333340 0.759227 P\n0.148674 0.527781 0.203165 O\n0.648676 0.027776 0.203127 O\n0.782614 0.838242 0.702999 O\n0.282603 0.338254 0.702898 O\n0.717007 0.661746 0.203454 O\n0.217003 0.161754 0.203557 O\n0.350962 0.972185 0.703097 O\n0.500785 0.833601 0.918475 O\n0.365760 0.689415 0.703611 O\n0.865753 0.189413 0.703679 O\n0.000784 0.666558 0.418478 O\n0.501105 0.166578 0.418473 O\n0.633802 0.310555 0.203020 O\n0.001107 0.333606 0.918480 O\n0.850964 0.472182 0.703148 O\n0.133806 0.810560 0.203093 O\n",
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],
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"volume": 443.33605700585224,
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"formula_full": "Li4 Mn4 P4 O16",
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},
{
"id": "jvasp-116505",
"created_at": "2022-09-04T14:38:31.868281Z",
"updated_at": "2022-09-04T14:38:31.868318Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.324244 -0.062264 -2.155412\n0.575558 5.729890 -2.740785\n-0.107856 0.005320 7.521670\nLi Mn Co O\n8 2 4 14\ndirect\n0.216982 0.437792 0.145327 Li\n0.931881 0.864617 0.296431 Li\n0.634559 0.273845 0.426021 Li\n0.360080 0.720982 0.563178 Li\n0.067683 0.143753 0.706676 Li\n0.786925 0.568211 0.854940 Li\n0.500375 0.990833 0.006185 Li\n0.430086 0.861663 0.292080 Li\n0.008567 0.995012 0.003276 Mn\n0.708494 0.437454 0.144998 Mn\n0.570251 0.141597 0.712295 Co\n0.286431 0.572498 0.858626 Co\n0.143184 0.282555 0.427099 Co\n0.855615 0.715674 0.569375 Co\n0.105745 0.721587 0.057040 O\n0.880427 0.273970 0.933183 O\n0.603396 0.692015 0.065118 O\n0.295896 0.143044 0.207878 O\n0.018686 0.563087 0.358304 O\n0.746080 0.996094 0.515812 O\n0.443657 0.414002 0.644719 O\n0.165158 0.846101 0.789547 O\n0.560454 0.563934 0.355701 O\n0.259319 0.022396 0.508938 O\n0.984092 0.442675 0.639064 O\n0.693320 0.867823 0.781525 O\n0.408608 0.298884 0.929438 O\n0.834035 0.147911 0.207219 O\n",
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"elements": [
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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}
]
}