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{
"id": "jvasp-115387",
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{
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{
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"volume": 139.90777592764192,
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"formula_full": "Zr2 Ga6",
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},
{
"id": "jvasp-65555",
"created_at": "2022-09-04T14:36:13.679834Z",
"updated_at": "2022-09-04T14:36:13.679846Z",
"structure_string": "Ba2 Zr1 Hg1\n1.0\n-0.000000 4.172765 4.172765\n4.172765 -0.000000 4.172765\n4.172765 4.172765 -0.000000\nBa Zr Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Zr\n0.000000 0.000000 0.000000 Hg\n",
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{
"id": "jvasp-91966",
"created_at": "2022-09-04T14:35:56.467122Z",
"updated_at": "2022-09-04T14:35:56.467141Z",
"structure_string": "Li2 Cu4 P2\n1.0\n4.058909 0.000000 -0.000000\n-2.029454 3.515117 0.000000\n0.000000 0.000000 7.500985\nLi Cu P\n2 4 2\ndirect\n0.333334 0.666667 0.905633 Li\n0.666668 0.333333 0.094368 Li\n0.666668 0.333333 0.439216 Cu\n0.333334 0.666667 0.560785 Cu\n0.000000 0.000000 0.721567 Cu\n0.000000 0.000000 0.278433 Cu\n0.333334 0.666667 0.246527 P\n0.666668 0.333333 0.753474 P\n",
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{
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"created_at": "2022-09-04T14:37:38.361841Z",
"updated_at": "2022-09-04T14:37:38.361860Z",
"structure_string": "Lu3 Ni3 Pb3\n1.0\n3.730486 -6.461390 0.000000\n3.730486 6.461390 0.000000\n-0.000000 0.000000 3.752466\nLu Ni Pb\n3 3 3\ndirect\n0.599949 0.000000 0.500001 Lu\n0.400051 0.400051 0.500001 Lu\n0.000000 0.599949 0.500001 Lu\n0.333334 0.666668 0.000000 Ni\n0.666668 0.333334 0.000000 Ni\n0.000000 0.000000 0.500001 Ni\n0.268022 0.000000 0.000000 Pb\n0.731979 0.731979 0.000000 Pb\n0.000000 0.268022 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:35:44.256959Z",
"updated_at": "2022-09-04T14:35:44.256986Z",
"structure_string": "Mg6 Ti1 Nb1\n1.0\n6.374986 -0.174371 0.000000\n-3.338503 5.433714 0.000000\n0.000000 0.000000 4.839626\nMg Ti Nb\n6 1 1\ndirect\n0.183503 0.833156 0.250000 Mg\n0.666844 0.316497 0.250000 Mg\n0.673116 0.826884 0.250000 Mg\n0.316316 0.669307 0.750001 Mg\n0.830693 0.183685 0.750001 Mg\n0.826981 0.673019 0.750001 Mg\n0.202327 0.297673 0.250000 Ti\n0.300223 0.199777 0.750001 Nb\n",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-30178",
"created_at": "2022-09-04T14:37:56.178514Z",
"updated_at": "2022-09-04T14:37:56.178530Z",
"structure_string": "Ti4 O4 F8\n1.0\n4.857353 0.000000 -1.067046\n0.000000 9.125076 0.000000\n-1.477874 0.000000 4.850362\nTi O F\n4 4 8\ndirect\n-0.122574 0.437328 0.808727 Ti\n0.431419 0.182779 0.808936 Ti\n0.568581 0.682779 0.191062 Ti\n0.122575 0.937328 0.191273 Ti\n0.194441 0.059998 0.500247 O\n0.149300 0.310036 0.798622 O\n0.850700 0.810036 0.201376 O\n0.805559 0.559998 0.499752 O\n0.443700 0.067172 0.128853 F\n0.184885 0.553006 0.128418 F\n0.205467 0.810122 -0.089357 F\n0.520368 0.310008 0.540562 F\n0.479631 0.810009 0.459436 F\n0.794532 0.310122 0.089356 F\n0.815115 0.053006 0.871581 F\n0.556299 0.567173 -0.128854 F\n",
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{
"id": "jvasp-90560",
"created_at": "2022-09-04T14:35:47.998100Z",
"updated_at": "2022-09-04T14:35:47.998130Z",
"structure_string": "Mg6 Ti2\n1.0\n4.388336 0.000000 0.000000\n-0.000000 4.388336 -0.000000\n0.000000 0.000000 8.791309\nMg Ti\n6 2\ndirect\n0.500001 0.500001 0.000000 Mg\n0.000000 0.500001 0.750000 Mg\n0.500001 0.000000 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500001 0.000000 0.250000 Mg\n0.000000 0.500001 0.250000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500001 0.500000 Ti\n",
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{
"id": "jvasp-32768",
"created_at": "2022-09-04T14:37:32.997162Z",
"updated_at": "2022-09-04T14:37:32.997184Z",
"structure_string": "Zr2 Cl8\n1.0\n6.233159 0.019834 0.000000\n-2.075516 5.957252 0.000000\n0.000000 0.000000 7.366073\nZr Cl\n2 8\ndirect\n0.750000 -0.000001 0.832229 Zr\n0.250000 -0.000000 0.167770 Zr\n0.013776 0.741991 0.368978 Cl\n0.497159 0.231510 0.890557 Cl\n0.502840 0.768489 0.109442 Cl\n0.986223 0.258008 0.631022 Cl\n0.002840 0.768489 0.890557 Cl\n0.513776 0.741991 0.631022 Cl\n0.486223 0.258008 0.368978 Cl\n0.997159 0.231510 0.109442 Cl\n",
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{
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"created_at": "2022-09-04T14:37:30.107770Z",
"updated_at": "2022-09-04T14:37:30.107806Z",
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{
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"created_at": "2022-09-04T14:38:03.440371Z",
"updated_at": "2022-09-04T14:38:03.440396Z",
"structure_string": "Hg6 As2 S8 Cl2\n1.0\n7.579362 0.000000 -0.000000\n-3.789682 6.563921 -0.000000\n0.000000 0.000000 9.012700\nHg As S Cl\n6 2 8 2\ndirect\n0.503825 0.496175 0.746043 Hg\n0.496175 0.503825 0.246043 Hg\n0.496175 0.992350 0.246043 Hg\n0.007650 0.503825 0.246043 Hg\n0.992350 0.496175 0.746043 Hg\n0.503825 0.007650 0.746043 Hg\n0.000000 0.000000 0.724062 As\n0.000000 0.000000 0.224062 As\n0.147949 0.852051 0.864299 S\n0.295898 0.147949 0.364299 S\n0.333333 0.666667 0.103649 S\n0.147949 0.295898 0.864299 S\n0.666667 0.333333 0.603649 S\n0.704102 0.852051 0.864299 S\n0.852051 0.704102 0.364299 S\n0.852050 0.147949 0.364299 S\n0.333333 0.666667 0.528561 Cl\n0.666667 0.333333 0.028561 Cl\n",
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