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{
"id": "jvasp-92666",
"created_at": "2022-09-04T14:35:52.714160Z",
"updated_at": "2022-09-04T14:35:52.714188Z",
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{
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{
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"structure_string": "Li2 C1 N2\n1.0\n3.392445 -0.000000 -1.327869\n-0.519753 3.352393 -1.327869\n0.034640 0.040425 5.085949\nLi C N\n2 1 2\ndirect\n0.749999 0.249999 0.499999 Li\n0.250000 0.749999 0.499999 Li\n0.000000 0.000000 0.000000 C\n0.140720 0.140720 0.281440 N\n0.859279 0.859278 0.718559 N\n",
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"volume": 58.205730490622265,
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"formula_full": "Li2 C1 N2",
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{
"id": "jvasp-88423",
"created_at": "2022-09-04T14:35:55.560782Z",
"updated_at": "2022-09-04T14:35:55.560810Z",
"structure_string": "Pb8 O4 F8\n1.0\n5.767839 -0.000000 0.000000\n-0.000000 8.229646 0.000000\n0.000000 0.000000 8.229646\nPb O F\n8 4 8\ndirect\n0.060532 0.250000 0.025250 Pb\n0.560532 0.025250 0.250000 Pb\n0.060532 0.250000 0.474750 Pb\n0.939468 0.750000 0.974750 Pb\n0.939468 0.750000 0.525251 Pb\n0.439468 0.525251 0.750000 Pb\n0.439468 0.974750 0.750000 Pb\n0.560532 0.474750 0.250000 Pb\n0.161934 0.750000 0.750000 O\n0.338066 0.250000 0.250000 O\n0.838066 0.250000 0.250000 O\n0.661934 0.750000 0.750000 O\n0.750000 0.039954 0.960046 F\n0.750000 0.039954 0.539955 F\n0.250000 0.539955 0.460046 F\n0.250000 0.539955 0.039954 F\n0.250000 0.960046 0.460046 F\n0.750000 0.460046 0.539955 F\n0.250000 0.960046 0.039954 F\n0.750000 0.460046 0.960046 F\n",
"nsites": 20,
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"elements": [
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"density": 7.964289164932275,
"density_atomic": 0.051198184107602636,
"volume": 390.6388546509038,
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},
{
"id": "jvasp-92299",
"created_at": "2022-09-04T14:35:55.470396Z",
"updated_at": "2022-09-04T14:35:55.470422Z",
"structure_string": "Mn2 Zn1 As2\n1.0\n-2.852739 -3.321993 -0.769845\n-1.450561 2.512446 -0.000000\n-1.300363 -0.750765 -6.688979\nMn Zn As\n2 1 2\ndirect\n0.286306 0.643154 0.662328 Mn\n0.713693 0.356848 0.337672 Mn\n0.000000 0.000000 0.000000 Zn\n0.302435 0.651218 0.307283 As\n0.697564 0.348784 0.692717 As\n",
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"elements": [
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"volume": 76.82127358289462,
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"spacegroup": 12
},
{
"id": "jvasp-97318",
"created_at": "2022-09-04T14:35:52.195220Z",
"updated_at": "2022-09-04T14:35:52.195233Z",
"structure_string": "La4 Mg2 Cu4\n1.0\n3.898962 0.000000 -0.000000\n-0.000000 7.907694 -0.000000\n0.000000 -0.000000 7.907694\nLa Mg Cu\n4 2 4\ndirect\n0.500000 0.826386 0.326387 La\n0.500000 0.673613 0.826386 La\n0.500000 0.326387 0.173613 La\n0.500000 0.173613 0.673613 La\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.620472 0.120472 Cu\n0.000000 0.879528 0.620472 Cu\n0.000000 0.379528 0.879528 Cu\n0.000000 0.120472 0.379528 Cu\n",
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"elements": [
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"volume": 243.80842732465567,
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"formula_full": "La4 Mg2 Cu4",
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"spacegroup": 127
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{
"id": "jvasp-92651",
"created_at": "2022-09-04T14:35:58.496304Z",
"updated_at": "2022-09-04T14:35:58.496320Z",
"structure_string": "Nd2 Al1 Ni2\n1.0\n0.000000 0.000000 4.215309\n-4.338526 2.768463 2.107654\n-4.338526 -2.768463 2.107654\nNd Al Ni\n2 1 2\ndirect\n0.201865 0.298134 0.298134 Nd\n0.798132 0.701866 0.701866 Nd\n0.000000 0.000000 0.000000 Al\n0.499999 0.264080 0.735920 Ni\n0.499999 0.735920 0.264080 Ni\n",
"nsites": 5,
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"formula_full": "Nd2 Al1 Ni2",
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"spacegroup": 71
},
{
"id": "jvasp-85521",
"created_at": "2022-09-04T14:35:54.963460Z",
"updated_at": "2022-09-04T14:35:54.963483Z",
"structure_string": "Eu1 Ge2 Rh2\n1.0\n3.900210 0.000000 -1.426331\n-0.521619 3.865172 -1.426331\n-0.024653 -0.028204 5.978188\nEu Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.377713 0.377713 0.755425 Ge\n0.622288 0.622288 0.244576 Ge\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
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"volume": 89.80728465256972,
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"formula_full": "Eu1 Ge2 Rh2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92668",
"created_at": "2022-09-04T14:35:55.718264Z",
"updated_at": "2022-09-04T14:35:55.718283Z",
"structure_string": "Sr1 Mg2 Bi2\n1.0\n-2.416776 -4.186009 0.000001\n-2.416802 4.186023 -0.000000\n0.000001 0.000000 -7.979820\nSr Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333337 0.666668 0.626365 Mg\n0.666664 0.333332 0.373636 Mg\n0.333332 0.666665 0.251204 Bi\n0.666670 0.333335 0.748796 Bi\n",
"nsites": 5,
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"elements": [
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{
"id": "jvasp-92297",
"created_at": "2022-09-04T14:35:52.380024Z",
"updated_at": "2022-09-04T14:35:52.380034Z",
"structure_string": "Ba1 Mg2 As2\n1.0\n-2.247775 -3.893277 -0.000033\n-2.247782 3.893279 -0.000001\n-0.000059 -0.000032 -7.757320\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333336 0.666668 0.623592 Mg\n0.666665 0.333332 0.376408 Mg\n0.333330 0.666665 0.273234 As\n0.666671 0.333336 0.726766 As\n",
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},
{
"id": "jvasp-92618",
"created_at": "2022-09-04T14:35:57.642467Z",
"updated_at": "2022-09-04T14:35:57.642485Z",
"structure_string": "Na2 Hf1 N2\n1.0\n3.307814 -0.000001 -0.000003\n-1.653908 2.864654 0.000000\n-0.000006 -0.000004 8.862502\nNa Hf N\n2 1 2\ndirect\n0.666667 0.333334 0.292639 Na\n0.333330 0.666666 0.707361 Na\n0.000000 0.000000 0.000000 Hf\n0.666663 0.333334 0.871198 N\n0.333334 0.666666 0.128802 N\n",
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"formula_full": "Na2 Hf1 N2",
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},
{
"id": "jvasp-86640",
"created_at": "2022-09-04T14:35:52.736735Z",
"updated_at": "2022-09-04T14:35:52.736749Z",
"structure_string": "Ba2 Al4 Si4\n1.0\n4.366459 0.000000 0.000000\n-2.183230 5.431844 0.000000\n0.000000 -0.000000 10.294009\nBa Al Si\n2 4 4\ndirect\n0.086615 0.173231 0.750000 Ba\n0.913384 0.826769 0.250000 Ba\n0.379770 0.759539 0.965352 Al\n0.620230 0.240460 0.465352 Al\n0.620230 0.240460 0.034648 Al\n0.379770 0.759539 0.534648 Al\n0.199953 0.399906 0.367984 Si\n0.800047 0.600094 0.867984 Si\n0.199953 0.399906 0.132016 Si\n0.800047 0.600094 0.632016 Si\n",
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"formula_full": "Ba2 Al4 Si4",
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