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{
"id": "jvasp-13740",
"created_at": "2022-09-04T14:37:19.335737Z",
"updated_at": "2022-09-04T14:37:19.335768Z",
"structure_string": "Yb2 S1 O2\n1.0\n1.882952 -3.261368 -0.000000\n1.882952 3.261368 0.000000\n-0.000000 -0.000000 6.806207\nYb S O\n2 1 2\ndirect\n0.666667 0.333332 0.300772 Yb\n0.333332 0.666667 0.699228 Yb\n0.000000 0.000000 0.000000 S\n0.666667 0.333332 0.632981 O\n0.333332 0.666667 0.367019 O\n",
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{
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"structure_string": "La2 P1 Br2\n1.0\n4.257385 -0.000000 -0.000000\n-2.128692 3.687003 -0.000000\n-0.000000 0.000000 10.049131\nLa P Br\n2 1 2\ndirect\n0.333333 0.666666 0.836421 La\n0.666666 0.333333 0.163579 La\n0.000000 0.000000 0.000000 P\n0.666666 0.333333 0.650761 Br\n0.333333 0.666666 0.349239 Br\n",
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{
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"structure_string": "Lu1 Co2 Ge2\n1.0\n3.681190 -0.000000 -1.355968\n-0.499472 3.647147 -1.355968\n0.015654 0.017944 5.717337\nLu Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.250000 0.750000 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.373978 0.373978 0.747957 Ge\n0.626021 0.626021 0.252042 Ge\n",
"nsites": 5,
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},
{
"id": "jvasp-35818",
"created_at": "2022-09-04T14:37:31.859233Z",
"updated_at": "2022-09-04T14:37:31.859252Z",
"structure_string": "Tm1 Cu2 S2\n1.0\n3.962659 0.000025 -0.000500\n-1.981308 3.431775 0.000500\n-0.000801 0.000462 6.205526\nTm Cu S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666581 0.333416 0.671772 Cu\n0.333417 0.666580 0.328229 Cu\n0.666721 0.333277 0.261487 S\n0.333278 0.666719 0.738513 S\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.0868677014097,
"density_atomic": 0.05924945020403161,
"volume": 84.38896872092454,
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"formula_full": "Tm1 Cu2 S2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-17652",
"created_at": "2022-09-04T14:37:32.172286Z",
"updated_at": "2022-09-04T14:37:32.172296Z",
"structure_string": "Tb1 Fe2 Ge2\n1.0\n3.790227 0.000000 -1.352338\n-0.482508 3.759390 -1.352338\n-0.094221 -0.107086 5.723575\nTb Fe Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 Fe\n0.750000 0.249999 0.500000 Fe\n0.631997 0.631996 0.263993 Ge\n0.368003 0.368003 0.736007 Ge\n",
"nsites": 5,
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"volume": 80.4571064965954,
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{
"id": "jvasp-56451",
"created_at": "2022-09-04T14:37:32.205920Z",
"updated_at": "2022-09-04T14:37:32.205945Z",
"structure_string": "Tm1 Si2 Os2\n1.0\n3.898587 -0.000000 -1.535939\n-0.605119 3.851338 -1.535939\n-0.038440 -0.044951 5.618179\nTm Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.372754 0.372754 0.745510 Si\n0.627246 0.627246 0.254491 Si\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n",
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},
{
"id": "jvasp-23360",
"created_at": "2022-09-04T14:37:32.281115Z",
"updated_at": "2022-09-04T14:37:32.281139Z",
"structure_string": "Nd2 Ni4 Sn4\n1.0\n4.458076 0.000000 -0.000000\n0.000000 4.458076 0.000000\n0.000000 0.000000 10.134680\nNd Ni Sn\n2 4 4\ndirect\n0.500000 0.000000 0.761331 Nd\n0.000000 0.500000 0.238669 Nd\n0.500000 0.000000 0.372448 Ni\n0.000000 0.500000 0.627552 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.875008 Sn\n0.500000 0.000000 0.124992 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n",
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"volume": 201.4211060153808,
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"formula_full": "Nd2 Ni4 Sn4",
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"spacegroup": 129
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{
"id": "jvasp-29808",
"created_at": "2022-09-04T14:37:32.319526Z",
"updated_at": "2022-09-04T14:37:32.319544Z",
"structure_string": "Mn1 H2 O2\n1.0\n2.993012 -0.133559 -0.070526\n-1.591811 2.773065 -0.001559\n-0.080288 -0.037791 4.490585\nMn H O\n1 2 2\ndirect\n0.012513 0.924770 0.977926 Mn\n0.649510 0.243544 0.533534 H\n0.375461 0.606023 0.422308 H\n0.685141 0.260856 0.751820 O\n0.339899 0.588694 0.204018 O\n",
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],
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"volume": 36.29619366892792,
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"formula_full": "Mn1 H2 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-10991",
"created_at": "2022-09-04T14:37:17.598921Z",
"updated_at": "2022-09-04T14:37:17.598941Z",
"structure_string": "K4 Zn2 Te4\n1.0\n6.372968 -0.000000 -2.789869\n-1.342740 6.428815 -3.067255\n-0.020552 0.025376 8.626953\nK Zn Te\n4 2 4\ndirect\n0.859352 0.175720 0.718702 K\n0.140648 0.824279 0.281298 K\n0.640649 0.457017 0.281298 K\n0.359352 0.542983 0.718702 K\n0.250000 0.000000 -0.000000 Zn\n0.750000 0.000000 -0.000000 Zn\n0.608804 0.911048 0.217607 Te\n0.391196 0.088952 0.782393 Te\n0.891197 0.693441 0.782393 Te\n0.108804 0.306558 0.217607 Te\n",
"nsites": 10,
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],
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"density": 3.7448717961381166,
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"volume": 353.6742055959177,
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"formula_full": "K4 Zn2 Te4",
"formula_reduced": "K2ZnTe2",
"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-25438",
"created_at": "2022-09-04T14:37:32.640172Z",
"updated_at": "2022-09-04T14:37:32.640209Z",
"structure_string": "Tl4 Pd2 Se4\n1.0\n3.732866 0.000000 0.000000\n0.000000 6.186635 0.000000\n0.000000 0.000000 11.380763\nTl Pd Se\n4 2 4\ndirect\n0.000000 0.611960 0.153104 Tl\n0.000000 0.388039 0.846896 Tl\n0.000000 0.111960 0.346896 Tl\n0.000000 0.888039 0.653104 Tl\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500001 0.681178 0.388614 Se\n0.500001 0.318822 0.611386 Se\n0.500001 0.181178 0.111386 Se\n0.500001 0.818821 0.888614 Se\n",
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},
{
"id": "jvasp-21959",
"created_at": "2022-09-04T14:37:32.689910Z",
"updated_at": "2022-09-04T14:37:32.689924Z",
"structure_string": "Ba2 Zn4 Sn4\n1.0\n4.822714 0.000000 -0.000000\n0.000000 4.822714 0.000000\n-0.000000 0.000000 11.310611\nBa Zn Sn\n2 4 4\ndirect\n0.500000 0.000000 0.759415 Ba\n0.000000 0.500000 0.240584 Ba\n0.500000 0.000000 0.364670 Zn\n0.000000 0.500000 0.635329 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.873286 Sn\n0.500000 0.000000 0.126714 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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},
{
"id": "jvasp-107377",
"created_at": "2022-09-04T14:37:17.485321Z",
"updated_at": "2022-09-04T14:37:17.485344Z",
"structure_string": "Li2 Rh1 N2\n1.0\n3.199383 0.000034 -0.000278\n-1.599871 2.770342 0.000500\n0.000430 -0.000386 5.044575\nLi Rh N\n2 1 2\ndirect\n0.666679 0.333387 0.356354 Li\n0.333319 0.666609 0.643644 Li\n0.000000 0.000000 0.000000 Rh\n0.666647 0.333276 0.787438 N\n0.333350 0.666720 0.212561 N\n",
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