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{
"id": "jvasp-20264",
"created_at": "2022-09-04T14:37:38.324268Z",
"updated_at": "2022-09-04T14:37:38.324292Z",
"structure_string": "Nd1 Sn3\n1.0\n4.782647 0.000000 0.000000\n0.000000 4.782647 -0.000000\n0.000000 0.000000 4.782647\nNd Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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{
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{
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"structure_string": "Mg1 Be1 Pb1\n1.0\n-1.611542 1.611542 6.079601\n1.611542 -1.611542 6.079601\n1.611542 1.611542 -6.079601\nMg Be Pb\n1 1 1\ndirect\n0.365560 0.365560 0.000000 Mg\n0.988303 0.988303 0.000000 Be\n0.646136 0.646136 0.000000 Pb\n",
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{
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"structure_string": "Ca4 As2 O1\n1.0\n4.369035 0.000000 -1.231090\n-0.346892 4.355242 -1.231090\n-0.012230 -0.013243 8.324807\nCa As O\n4 2 1\ndirect\n0.671223 0.671223 0.342446 Ca\n0.328777 0.328777 0.657554 Ca\n0.499999 -0.000000 -0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.862723 0.862724 0.725448 As\n0.137277 0.137277 0.274552 As\n0.500000 0.500000 -0.000000 O\n",
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"formula_full": "Ca4 As2 O1",
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"spacegroup": 139
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{
"id": "jvasp-18286",
"created_at": "2022-09-04T14:38:12.699248Z",
"updated_at": "2022-09-04T14:38:12.699269Z",
"structure_string": "Ti1 In1 Cu2\n1.0\n3.830303 -0.000000 2.211427\n1.276768 3.611245 2.211427\n-0.000000 -0.000000 4.422853\nTi In Cu\n1 1 2\ndirect\n0.500000 0.499999 0.500001 Ti\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.749999 0.750001 Cu\n",
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{
"id": "jvasp-56537",
"created_at": "2022-09-04T14:37:35.610495Z",
"updated_at": "2022-09-04T14:37:35.610518Z",
"structure_string": "Ag3 Bi3 Te6\n1.0\n2.168844 -3.756548 -0.000000\n2.168844 3.756548 0.000000\n0.000000 -0.000000 21.894435\nAg Bi Te\n3 3 6\ndirect\n0.666666 0.333332 0.360278 Ag\n0.333332 0.666666 0.639723 Ag\n-0.000000 -0.000000 0.500000 Ag\n0.333332 0.666666 0.192464 Bi\n0.666666 0.333332 0.807536 Bi\n0.000000 0.000000 0.000000 Bi\n0.666666 0.333332 0.091462 Te\n0.333332 0.666666 0.908538 Te\n0.666666 0.333332 0.574754 Te\n0.333332 0.666666 0.425246 Te\n-0.000000 -0.000000 0.278826 Te\n-0.000000 -0.000000 0.721174 Te\n",
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{
"id": "jvasp-48407",
"created_at": "2022-09-04T14:35:57.118167Z",
"updated_at": "2022-09-04T14:35:57.118192Z",
"structure_string": "Na12 Ni2 O8\n1.0\n5.349507 0.000018 -0.000043\n0.000014 7.447268 0.003940\n-0.000229 -0.003855 7.447121\nNa Ni O\n12 2 8\ndirect\n0.249993 0.539447 0.039451 Na\n0.750000 0.460735 0.960740 Na\n0.151084 0.750009 0.750011 Na\n0.651091 0.750008 0.750010 Na\n0.749996 0.460569 0.539446 Na\n0.749996 0.039279 0.539277 Na\n0.749997 0.039453 0.960569 Na\n0.249998 0.539274 0.460737 Na\n0.848919 0.250008 0.250006 Na\n0.348896 0.250009 0.250007 Na\n0.249992 0.960739 0.039281 Na\n0.249994 0.960574 0.460565 Na\n0.750009 0.750009 0.250006 Ni\n0.250008 0.250008 0.750010 Ni\n0.419247 0.497375 0.750093 O\n0.080761 0.250094 0.997384 O\n0.580752 0.997382 0.249928 O\n0.580753 0.502636 0.250087 O\n0.080760 0.249922 0.502636 O\n0.919251 0.749930 0.497374 O\n0.419246 0.002642 0.749925 O\n0.919250 0.750089 0.002639 O\n",
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"spacegroup": 137
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{
"id": "jvasp-48340",
"created_at": "2022-09-04T14:36:01.559226Z",
"updated_at": "2022-09-04T14:36:01.559254Z",
"structure_string": "Li6 Co1 O1 F6\n1.0\n-0.000000 -2.014613 -2.014613\n-0.000000 2.014613 -2.014613\n14.505165 -2.014613 0.000000\nLi Co O F\n6 1 1 6\ndirect\n0.004059 0.995939 0.991879 Li\n0.853082 0.146917 0.293835 Li\n0.282049 0.717949 0.435899 Li\n0.713209 0.286790 0.573579 Li\n0.143932 0.856066 0.712135 Li\n0.575092 0.424907 0.849816 Li\n0.428570 0.571428 0.142857 Co\n0.928570 0.071429 0.142857 O\n0.506174 0.493824 0.987650 F\n0.350967 0.649032 0.298064 F\n0.782442 0.217556 0.435114 F\n0.213127 0.786872 0.573745 F\n0.644014 0.355984 0.711968 F\n0.074699 0.925300 0.850600 F\n",
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"density_atomic": 0.11890280567422253,
"volume": 117.74322666832683,
"volume_molar": 5.0647591752375,
"formula_full": "Li6 Co1 O1 F6",
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"formula_anonymous": "ABC6D6",
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{
"id": "jvasp-36470",
"created_at": "2022-09-04T14:37:30.005715Z",
"updated_at": "2022-09-04T14:37:30.005732Z",
"structure_string": "Sr3 As1 P1\n1.0\n5.666061 0.000000 -0.000000\n-0.000000 5.666061 -0.000000\n-0.000000 -0.000000 5.666061\nSr As P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 P\n",
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},
{
"id": "jvasp-25627",
"created_at": "2022-09-04T14:37:59.634106Z",
"updated_at": "2022-09-04T14:37:59.634126Z",
"structure_string": "As8 Cl12 O4 F20\n1.0\n0.000000 5.830150 -0.060938\n18.399294 0.000000 0.000000\n0.000000 -2.287563 -7.460645\nAs Cl O F\n8 12 4 20\ndirect\n0.560072 0.620780 0.169722 As\n0.145168 0.611142 0.797159 As\n0.560072 0.879219 0.669722 As\n0.439929 0.379220 0.830279 As\n0.854833 0.388858 0.202842 As\n0.439929 0.120780 0.330279 As\n0.854833 0.111142 0.702842 As\n0.145168 0.888858 0.297158 As\n0.670896 0.134782 0.893675 Cl\n0.329105 0.634782 0.606326 Cl\n0.882546 0.531952 0.694270 Cl\n0.882546 0.968047 0.194269 Cl\n0.028244 0.207599 0.663986 Cl\n0.117455 0.031952 0.805731 Cl\n0.028244 0.292401 0.163986 Cl\n0.971756 0.792401 0.336015 Cl\n0.329105 0.865218 0.106326 Cl\n0.971757 0.707599 0.836015 Cl\n0.670896 0.365218 0.393675 Cl\n0.117455 0.468047 0.305731 Cl\n0.673487 0.072076 0.513995 O\n0.673487 0.427924 0.013994 O\n0.326513 0.927924 0.486006 O\n0.326513 0.572076 -0.013994 O\n0.431292 0.039293 0.207784 F\n0.326293 0.844985 0.749817 F\n0.214352 0.412197 0.919680 F\n0.225950 0.339686 0.646848 F\n0.214352 0.087803 0.419680 F\n0.462060 0.300247 0.965323 F\n0.774051 0.660314 0.353153 F\n0.774051 0.839686 0.853153 F\n0.568709 0.960707 0.792217 F\n0.462059 0.199753 0.465323 F\n0.326293 0.655015 0.249817 F\n0.537941 0.800247 0.534678 F\n0.431293 0.460707 0.707784 F\n0.568708 0.539293 0.292217 F\n0.785649 0.912197 0.580321 F\n0.673708 0.155015 0.250184 F\n0.537941 0.699753 0.034677 F\n0.673708 0.344985 0.750184 F\n0.785649 0.587803 0.080321 F\n0.225949 0.160314 0.146848 F\n",
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{
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"structure_string": "Eu2 Pd2\n1.0\n-3.780572 0.000000 0.000000\n0.000000 -0.000000 -4.574348\n1.890286 -5.335497 -0.000000\nEu Pd\n2 2\ndirect\n0.862900 0.750000 0.725802 Eu\n0.137099 0.250000 0.274199 Eu\n0.587666 0.750000 0.175335 Pd\n0.412332 0.250000 0.824666 Pd\n",
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{
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"structure_string": "Ga2 P1\n1.0\n5.974336 0.869302 -1.103112\n1.800130 -3.378618 0.015677\n2.850629 1.506434 -3.427868\nGa P\n2 1\ndirect\n0.490885 0.507339 0.756779 Ga\n0.991010 0.507809 0.628009 Ga\n0.991019 0.007949 0.942272 P\n",
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}