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{
"id": "jvasp-117016",
"created_at": "2022-09-04T14:38:49.207031Z",
"updated_at": "2022-09-04T14:38:49.207059Z",
"structure_string": "Mn2 Ni2 P4 O14\n1.0\n4.511735 -0.007215 -0.002897\n-1.448005 6.391627 0.007667\n0.005433 -0.008442 8.371133\nMn Ni P O\n2 2 4 14\ndirect\n0.538246 0.713491 0.700030 Mn\n0.538242 0.213495 0.200032 Mn\n0.538408 0.713461 0.321490 Ni\n0.538407 0.213459 0.821492 Ni\n0.129488 0.497262 0.998228 P\n0.129489 0.997266 0.498229 P\n0.947163 0.929642 0.998213 P\n0.947163 0.429642 0.498213 P\n0.253187 0.589107 0.506732 O\n0.253191 0.089103 0.006732 O\n0.753810 0.957654 0.851088 O\n0.753808 0.457656 0.351089 O\n0.322912 0.969298 0.351124 O\n0.322912 0.469296 0.851122 O\n0.303960 0.508226 0.154784 O\n0.772661 0.418685 0.654758 O\n0.303962 0.008230 0.654784 O\n0.823511 0.337753 0.006748 O\n0.038250 0.213427 0.456800 O\n0.038250 0.713424 0.956800 O\n0.772661 0.918684 0.154758 O\n0.823512 0.837756 0.506748 O\n",
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{
"id": "jvasp-118800",
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"updated_at": "2022-09-04T14:38:49.205914Z",
"structure_string": "Na1 Se3\n1.0\n4.152559 0.444549 -0.355478\n2.135309 -7.036819 -0.366538\n-0.730278 2.725198 -3.433161\nNa Se\n1 3\ndirect\n0.435305 0.412251 0.003653 Na\n0.109948 -0.012405 0.103929 Se\n0.434781 0.911165 0.490213 Se\n0.936199 0.397361 0.488911 Se\n",
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"formula_full": "Na1 Se3",
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{
"id": "jvasp-117200",
"created_at": "2022-09-04T14:38:49.205218Z",
"updated_at": "2022-09-04T14:38:49.205247Z",
"structure_string": "Mn10 Sn2 O16\n1.0\n5.887685 0.000863 0.000194\n-0.000825 5.887686 0.000051\n0.000136 -0.000002 9.598344\nMn Sn O\n10 2 16\ndirect\n0.000014 0.500000 0.750007 Mn\n0.258240 0.499999 0.129689 Mn\n0.241770 0.000002 0.629708 Mn\n0.741763 0.499999 0.129691 Mn\n0.500010 0.999997 0.249992 Mn\n0.758241 0.000002 0.629706 Mn\n-0.000005 0.758234 0.370292 Mn\n0.500001 0.741763 0.870310 Mn\n-0.000004 0.241763 0.370293 Mn\n0.500001 0.258240 0.870309 Mn\n-0.000021 0.000002 0.000000 Sn\n0.499973 0.500007 0.499999 Sn\n0.772487 -0.000002 0.378621 O\n0.000013 0.772492 0.621384 O\n0.500010 0.272480 0.121363 O\n0.727520 0.499998 0.878632 O\n0.227508 -0.000005 0.378611 O\n0.272483 0.500002 0.878642 O\n0.500002 0.213551 0.638630 O\n0.286449 0.000003 0.861397 O\n0.500004 0.786454 0.638636 O\n0.000000 0.286449 0.138615 O\n0.713550 0.000000 0.861375 O\n0.213542 0.499997 0.361354 O\n0.500007 0.727517 0.121361 O\n0.786445 0.499999 0.361378 O\n-0.000002 0.713550 0.138612 O\n0.000010 0.227513 0.621382 O\n",
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"density": 5.204281540179894,
"density_atomic": 0.08415356233831384,
"volume": 332.7250709534375,
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"formula_full": "Mn10 Sn2 O16",
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"spacegroup": 119
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{
"id": "jvasp-113758",
"created_at": "2022-09-04T14:38:49.201312Z",
"updated_at": "2022-09-04T14:38:49.201339Z",
"structure_string": "Li2 V1 Fe1 S4\n1.0\n3.375863 -0.000000 -0.000000\n-1.687931 2.923584 -0.000000\n-0.000000 -0.000000 11.799338\nLi V Fe S\n2 1 1 4\ndirect\n0.000000 0.000000 0.759641 Li\n0.000000 0.000000 0.240359 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.666666 0.333333 0.896729 S\n0.666666 0.333333 0.379829 S\n0.333332 0.666666 0.620171 S\n0.333332 0.666666 0.103271 S\n",
"nsites": 8,
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],
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"density_atomic": 0.06869607988271108,
"volume": 116.45497113749252,
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"formula_full": "Li2 V1 Fe1 S4",
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{
"id": "jvasp-118756",
"created_at": "2022-09-04T14:38:49.200169Z",
"updated_at": "2022-09-04T14:38:49.200198Z",
"structure_string": "Na1 Mo1 N1\n1.0\n2.923043 0.000000 0.000000\n0.000000 2.923043 0.000000\n-0.000000 0.000000 7.012874\nNa Mo N\n1 1 1\ndirect\n0.000000 0.000000 0.574798 Na\n0.000000 0.000000 0.020412 Mo\n0.000000 0.000000 0.255895 N\n",
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{
"id": "jvasp-117970",
"created_at": "2022-09-04T14:38:49.198922Z",
"updated_at": "2022-09-04T14:38:49.198947Z",
"structure_string": "Ca3 C1\n1.0\n3.713701 -0.603095 0.608089\n-0.791062 -5.066492 -0.193146\n-0.475778 2.908732 -6.088443\nCa C\n3 1\ndirect\n0.115892 0.103693 0.062150 Ca\n0.478058 0.465178 0.785259 Ca\n0.753768 0.742216 0.339065 Ca\n0.115919 0.603688 0.062170 C\n",
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"density": 1.8828983541941504,
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"formula_full": "Ca3 C1",
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"spacegroup": 71
},
{
"id": "jvasp-115479",
"created_at": "2022-09-04T14:38:49.194436Z",
"updated_at": "2022-09-04T14:38:49.194466Z",
"structure_string": "B1 Br1 N1\n1.0\n2.613982 0.000000 0.000000\n0.000000 5.455845 0.000000\n0.000000 0.000000 4.122332\nB Br N\n1 1 1\ndirect\n0.000000 0.000000 -0.013406 B\n0.500000 0.500000 0.486785 Br\n0.500000 0.000000 -0.013380 N\n",
"nsites": 3,
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"elements": [
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],
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"density": 2.957863984343787,
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"volume": 58.790557946951814,
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"formula_full": "B1 Br1 N1",
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{
"id": "jvasp-120746",
"created_at": "2022-09-04T14:38:49.192434Z",
"updated_at": "2022-09-04T14:38:49.192458Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.803175 -0.000000 0.000000\n0.000000 6.209487 0.000000\n-0.000000 -0.000000 9.384885\nLi Ni P O\n4 4 4 16\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 0.000000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.963892 0.250000 0.139784 Ni\n0.463892 0.750000 0.360216 Ni\n0.536109 0.250000 0.639783 Ni\n0.036109 0.750000 0.860216 Ni\n0.031904 0.250000 0.814946 P\n0.531904 0.750000 0.685053 P\n0.468097 0.250000 0.314947 P\n0.968097 0.750000 0.185053 P\n0.157761 0.049832 0.888953 O\n0.612350 0.750000 0.847193 O\n0.112350 0.250000 0.652806 O\n0.657762 0.950168 0.611046 O\n0.657762 0.549832 0.611046 O\n0.210568 0.750000 0.664905 O\n0.789433 0.250000 0.335094 O\n0.842240 0.549832 0.111046 O\n0.342239 0.450168 0.388954 O\n0.887651 0.750000 0.347193 O\n0.387651 0.250000 0.152807 O\n0.842240 0.950168 0.111046 O\n0.157761 0.450168 0.888953 O\n0.289432 0.750000 0.164905 O\n0.342239 0.049832 0.388954 O\n0.710569 0.250000 0.835094 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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{
"id": "jvasp-117015",
"created_at": "2022-09-04T14:38:49.190248Z",
"updated_at": "2022-09-04T14:38:49.190281Z",
"structure_string": "Na6 B4 P2 O10 F8\n1.0\n6.940446 0.000893 0.000000\n-3.695055 5.875063 0.000000\n-0.000000 -0.000000 9.012267\nNa B P O F\n6 4 2 10 8\ndirect\n0.185701 0.814298 -0.000000 Na\n0.185701 0.814298 0.500000 Na\n0.806593 0.193407 -0.000000 Na\n0.806593 0.193407 0.500000 Na\n0.485444 0.514555 -0.000000 Na\n0.485444 0.514555 0.500000 Na\n0.832423 0.619055 0.750000 B\n0.380945 0.167576 0.250000 B\n0.945520 0.917725 0.250000 B\n0.082274 0.054480 0.750000 B\n0.615143 0.856285 0.750000 P\n0.143714 0.384856 0.250000 P\n0.508082 0.860185 0.894403 O\n0.139814 0.491917 0.394403 O\n0.508082 0.860185 0.605597 O\n0.139814 0.491917 0.105597 O\n0.628467 0.632967 0.750000 O\n0.874986 0.065449 0.750000 O\n0.934550 0.125014 0.250000 O\n0.042326 0.830764 0.750000 O\n0.169234 0.957673 0.250000 O\n0.367032 0.371532 0.250000 O\n0.513686 0.184411 0.379049 F\n0.823352 0.786573 0.119942 F\n0.213426 0.176648 0.880058 F\n0.823352 0.786573 0.380058 F\n0.213426 0.176648 0.619943 F\n0.513686 0.184411 0.120951 F\n0.815588 0.486314 0.879049 F\n0.815588 0.486314 0.620951 F\n",
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{
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"updated_at": "2022-09-04T14:38:49.188423Z",
"structure_string": "Pr1 Y1 Al6\n1.0\n6.467536 0.000000 -0.000000\n-3.233768 5.601051 0.000000\n-0.000000 -0.000000 4.615720\nPr Y Al\n1 1 6\ndirect\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.500000 Y\n0.283177 0.141588 0.500000 Al\n0.858413 0.141588 0.500000 Al\n0.858412 0.716823 0.500000 Al\n0.710035 0.855018 0.000000 Al\n0.144982 0.855018 0.000000 Al\n0.144982 0.289965 0.000000 Al\n",
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{
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"created_at": "2022-09-04T14:38:49.182186Z",
"updated_at": "2022-09-04T14:38:49.182212Z",
"structure_string": "Be3 Si1\n1.0\n3.108038 0.000302 -2.791980\n-0.617826 3.046012 -2.791980\n-0.000247 -0.000302 4.177924\nBe Si\n3 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.249999 0.750000 0.499998 Be\n0.500000 0.499999 -0.000001 Be\n0.000000 0.000000 0.000000 Si\n",
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{
"id": "jvasp-117781",
"created_at": "2022-09-04T14:38:49.175510Z",
"updated_at": "2022-09-04T14:38:49.175527Z",
"structure_string": "Pb1 I1 Br1\n1.0\n3.315226 0.000000 0.000000\n0.000000 3.315226 -0.000000\n0.000000 -0.000000 10.129580\nPb I Br\n1 1 1\ndirect\n0.000000 0.000000 0.759664 Pb\n0.000000 0.000000 0.419015 I\n0.000000 0.000000 0.037294 Br\n",
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}
]
}