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{
"id": "jvasp-118109",
"created_at": "2022-09-04T14:38:37.270766Z",
"updated_at": "2022-09-04T14:38:37.270794Z",
"structure_string": "Cl1 O2\n1.0\n4.148084 -0.001588 -0.031524\n-0.947804 -2.713749 0.073003\n-0.298096 -1.483928 -4.002180\nCl O\n1 2\ndirect\n-0.054643 0.911099 0.001704 Cl\n0.572554 0.684333 0.098008 O\n0.033557 0.131560 0.638584 O\n",
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{
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"created_at": "2022-09-04T14:38:32.234097Z",
"updated_at": "2022-09-04T14:38:32.234122Z",
"structure_string": "Nd1 Se1\n1.0\n3.660322 0.000000 2.113288\n1.220107 3.450985 2.113288\n0.000000 0.000000 4.226577\nNd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500001 Se\n",
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{
"id": "jvasp-114314",
"created_at": "2022-09-04T14:38:40.521452Z",
"updated_at": "2022-09-04T14:38:40.521489Z",
"structure_string": "In1 S1\n1.0\n4.503598 -0.000000 -0.000000\n-2.251799 3.900230 -0.000000\n-0.000000 -0.000000 3.872596\nIn S\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.333332 0.666666 0.000000 S\n",
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{
"id": "jvasp-113489",
"created_at": "2022-09-04T14:38:46.136245Z",
"updated_at": "2022-09-04T14:38:46.136272Z",
"structure_string": "Rb1 Cl1\n1.0\n5.356529 0.000000 -0.000000\n-2.678265 4.638890 0.000000\n0.000000 -0.000000 4.831372\nRb Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.333335 0.666667 0.000000 Cl\n",
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{
"id": "jvasp-114350",
"created_at": "2022-09-04T14:38:40.555235Z",
"updated_at": "2022-09-04T14:38:40.555262Z",
"structure_string": "Mg2 N2\n1.0\n3.448280 -0.007438 -0.496614\n1.123129 -4.602227 -0.154351\n1.291320 0.428399 -3.188162\nMg N\n2 2\ndirect\n0.948118 0.036809 -0.031255 Mg\n0.499884 0.540135 0.694589 Mg\n0.607826 0.090085 0.639655 N\n0.022661 0.742821 0.431706 N\n",
"nsites": 4,
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"volume": 47.60795611540871,
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{
"id": "jvasp-110864",
"created_at": "2022-09-04T14:38:37.301610Z",
"updated_at": "2022-09-04T14:38:37.301637Z",
"structure_string": "Sr6 Ca2\n1.0\n8.221964 0.000000 0.000000\n-4.110982 7.120429 0.000000\n-0.000000 -0.000000 6.745340\nSr Ca\n6 2\ndirect\n0.168217 0.336435 0.250000 Sr\n0.663565 0.831783 0.250000 Sr\n0.168218 0.831783 0.250000 Sr\n0.831782 0.663565 0.750000 Sr\n0.336435 0.168217 0.750000 Sr\n0.831782 0.168217 0.750000 Sr\n0.333333 0.666667 0.750000 Ca\n0.666666 0.333333 0.250000 Ca\n",
"nsites": 8,
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"volume": 394.898583967447,
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"formula_full": "Sr6 Ca2",
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"spacegroup": 194
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{
"id": "jvasp-111409",
"created_at": "2022-09-04T14:38:40.504273Z",
"updated_at": "2022-09-04T14:38:40.504317Z",
"structure_string": "U4 As8\n1.0\n3.906432 0.000000 0.000000\n0.000000 7.122171 0.000000\n0.000000 0.000000 9.439344\nU As\n4 8\ndirect\n0.250000 0.206582 0.649128 U\n0.250000 0.706582 0.850871 U\n0.750000 0.793418 0.350872 U\n0.750000 0.293418 0.149128 U\n0.250000 0.106802 0.953329 As\n0.250000 0.606802 0.546671 As\n0.750000 0.893198 0.046671 As\n0.750000 0.393198 0.453329 As\n0.250000 0.094388 0.331562 As\n0.250000 0.594388 0.168438 As\n0.750000 0.905612 0.668437 As\n0.750000 0.405612 0.831562 As\n",
"nsites": 12,
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"elements": [
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"density": 9.809867974826432,
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"volume": 262.6240406710339,
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{
"id": "jvasp-116672",
"created_at": "2022-09-04T14:38:32.868668Z",
"updated_at": "2022-09-04T14:38:32.868694Z",
"structure_string": "Mo3 Cl18\n1.0\n10.401797 0.000000 0.000000\n-5.200899 9.008220 0.000000\n-0.000000 -0.000000 5.530763\nMo Cl\n3 18\ndirect\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.503682 Mo\n0.666667 0.333333 0.496318 Mo\n0.562049 0.437952 0.254692 Cl\n0.437952 0.875903 0.745308 Cl\n0.124097 0.562048 0.745308 Cl\n0.437952 0.562048 0.745308 Cl\n0.771247 0.542495 0.737731 Cl\n0.457505 0.228753 0.737731 Cl\n0.771247 0.228753 0.737731 Cl\n0.228753 0.457505 0.262268 Cl\n0.542495 0.771247 0.262268 Cl\n0.228753 0.771247 0.262268 Cl\n0.895399 0.790796 0.241458 Cl\n0.209204 0.104602 0.241458 Cl\n0.895399 0.104602 0.241458 Cl\n0.104602 0.209204 0.758542 Cl\n0.790796 0.895398 0.758542 Cl\n0.104601 0.895398 0.758542 Cl\n0.875903 0.437952 0.254692 Cl\n0.562049 0.124097 0.254692 Cl\n",
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"elements": [
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"density": 2.9669859054189742,
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"volume": 518.2417613941237,
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"formula_full": "Mo3 Cl18",
"formula_reduced": "MoCl6",
"formula_anonymous": "AB6",
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"spacegroup": 164
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{
"id": "jvasp-113768",
"created_at": "2022-09-04T14:38:46.760631Z",
"updated_at": "2022-09-04T14:38:46.760665Z",
"structure_string": "Tc2 Br6\n1.0\n6.482972 0.000000 -0.000000\n-3.241486 5.614419 0.000000\n-0.000000 -0.000000 6.008311\nTc Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n-0.000000 0.315971 0.750000 Br\n-0.000000 0.684030 0.250000 Br\n0.684029 0.684030 0.750000 Br\n0.315970 0.000000 0.750000 Br\n0.315970 0.315971 0.250000 Br\n0.684029 0.000000 0.250000 Br\n",
"nsites": 8,
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"elements": [
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"density": 5.128545525859856,
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"volume": 218.69123182467905,
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"formula_full": "Tc2 Br6",
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},
{
"id": "jvasp-113664",
"created_at": "2022-09-04T14:38:45.557329Z",
"updated_at": "2022-09-04T14:38:45.557362Z",
"structure_string": "Li2 Br1\n1.0\n3.659341 0.000000 0.000000\n0.000000 3.720123 0.000000\n0.000000 0.000000 6.275655\nLi Br\n2 1\ndirect\n-0.033319 0.000000 0.733276 Li\n-0.033319 0.000000 0.266724 Li\n0.466637 0.000000 0.000000 Br\n",
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},
{
"id": "jvasp-17427",
"created_at": "2022-09-04T14:38:32.879540Z",
"updated_at": "2022-09-04T14:38:32.879579Z",
"structure_string": "Al2 Pd1\n1.0\n3.643069 0.000000 2.103326\n1.214357 3.434718 2.103326\n-0.000000 -0.000000 4.206654\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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{
"id": "jvasp-110033",
"created_at": "2022-09-04T14:38:37.336037Z",
"updated_at": "2022-09-04T14:38:37.336061Z",
"structure_string": "Sm1 Mg5\n1.0\n7.016512 0.035330 1.607399\n6.269575 3.150416 1.607399\n-0.019106 -0.004581 6.730367\nSm Mg\n1 5\ndirect\n0.499999 0.500001 0.500000 Sm\n0.174476 0.174477 0.669657 Mg\n0.830487 0.830491 0.844576 Mg\n0.499999 0.500001 0.000000 Mg\n0.169510 0.169511 0.155425 Mg\n0.825521 0.825524 0.330344 Mg\n",
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}