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{
"id": "jvasp-91573",
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"updated_at": "2022-09-04T14:35:52.300937Z",
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{
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{
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"structure_string": "Ti2 H4 Pd1\n1.0\n-1.463163 1.463163 6.702265\n1.463163 -1.463163 6.702265\n1.463163 1.463163 -6.702265\nTi H Pd\n2 4 1\ndirect\n0.345546 0.345546 0.000000 Ti\n0.654455 0.654455 0.000000 Ti\n0.870377 0.870377 0.000000 H\n0.129625 0.129625 0.000000 H\n0.750001 0.250000 0.500000 H\n0.250000 0.750001 0.500000 H\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ti2 H4 Pd1",
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"spacegroup": 139
},
{
"id": "jvasp-92719",
"created_at": "2022-09-04T14:36:21.045778Z",
"updated_at": "2022-09-04T14:36:21.045805Z",
"structure_string": "Ti2 H2 Pd1\n1.0\n-0.000000 -2.827940 0.000000\n-2.827968 -0.000000 0.000000\n1.413984 1.413971 -6.344326\nTi H Pd\n2 2 1\ndirect\n0.342071 0.342072 0.684141 Ti\n0.657929 0.657930 0.315859 Ti\n0.809916 0.809917 0.619833 H\n0.190085 0.190085 0.380168 H\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Ti2 H2 Pd1",
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"spacegroup": 139
},
{
"id": "jvasp-94970",
"created_at": "2022-09-04T14:35:53.437416Z",
"updated_at": "2022-09-04T14:35:53.437444Z",
"structure_string": "Ti2 H2 O3\n1.0\n-1.557061 -2.696454 0.000072\n-1.556667 2.696228 0.000000\n0.000857 0.000494 -8.804272\nTi H O\n2 2 3\ndirect\n0.666570 0.333285 0.876987 Ti\n0.333429 0.666714 0.123013 Ti\n0.333077 0.666538 0.631706 H\n0.666921 0.333462 0.368294 H\n0.333128 0.666564 0.744582 O\n0.666870 0.333435 0.255418 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
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"volume": 73.91778342845164,
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"formula_full": "Ti2 H2 O3",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 164
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{
"id": "jvasp-93786",
"created_at": "2022-09-04T14:35:52.875608Z",
"updated_at": "2022-09-04T14:35:52.875635Z",
"structure_string": "Ti4 H2\n1.0\n4.224515 0.000000 0.000000\n0.000000 4.224515 -0.000000\n-0.000000 0.000000 4.224515\nTi H\n4 2\ndirect\n0.499999 0.000000 0.499999 Ti\n0.000000 0.499999 0.499999 Ti\n0.499999 0.499999 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.749999 H\n",
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"formula_full": "Ti4 H2",
"formula_reduced": "Ti2H",
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"spacegroup": 224
},
{
"id": "jvasp-16218",
"created_at": "2022-09-04T14:36:55.299685Z",
"updated_at": "2022-09-04T14:36:55.299723Z",
"structure_string": "Ti4 Ge2 C2\n1.0\n1.549456 -2.683736 0.000000\n1.549456 2.683736 0.000000\n-0.000000 -0.000000 12.956854\nTi Ge C\n4 2 2\ndirect\n0.666669 0.333334 0.410813 Ti\n0.333334 0.666669 0.589186 Ti\n0.333334 0.666669 0.910813 Ti\n0.666669 0.333334 0.089186 Ti\n0.666669 0.333334 0.750000 Ge\n0.333334 0.666669 0.250000 Ge\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
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"volume": 107.75777135251352,
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"formula_full": "Ti4 Ge2 C2",
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"spacegroup": 194
},
{
"id": "jvasp-36228",
"created_at": "2022-09-04T14:36:52.828663Z",
"updated_at": "2022-09-04T14:36:52.828689Z",
"structure_string": "Ti2 Ge1\n1.0\n3.096603 3.096603 0.000000\n3.096603 0.000000 -3.096603\n-0.000000 3.096603 -3.096603\nTi Ge\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Ge\n",
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"spacegroup": 216
},
{
"id": "jvasp-110874",
"created_at": "2022-09-04T14:38:38.105149Z",
"updated_at": "2022-09-04T14:38:38.105172Z",
"structure_string": "Ti2 Ga1 Tc1\n1.0\n3.825536 -0.000000 2.208674\n1.275179 3.606750 2.208674\n-0.000000 -0.000000 4.417349\nTi Ga Tc\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Ti\n0.250000 0.250000 0.249999 Ti\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"formula_full": "Ti2 Ga1 Tc1",
"formula_reduced": "Ti2GaTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.048017622916667,
"spacegroup": 225
},
{
"id": "jvasp-106612",
"created_at": "2022-09-04T14:36:50.282476Z",
"updated_at": "2022-09-04T14:36:50.282497Z",
"structure_string": "Ti2 Ga1 Re1\n1.0\n3.834704 -0.000000 2.213967\n1.278235 3.615394 2.213967\n-0.000000 -0.000000 4.427935\nTi Ga Re\n2 1 1\ndirect\n0.749999 0.749999 0.750001 Ti\n0.250000 0.250000 0.250000 Ti\n0.499999 0.499999 0.500001 Ga\n0.000000 0.000000 0.000000 Re\n",
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},
{
"id": "jvasp-37049",
"created_at": "2022-09-04T14:35:47.194807Z",
"updated_at": "2022-09-04T14:35:47.194839Z",
"structure_string": "Ti2 Ga1 Ni1\n1.0\n3.077386 3.077386 0.000000\n3.077386 0.000000 -3.077386\n0.000000 3.077386 -3.077386\nTi Ga Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.250000 0.250000 0.250000 Ga\n0.500001 0.500001 0.500001 Ni\n",
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},
{
"id": "jvasp-35622",
"created_at": "2022-09-04T14:37:40.340332Z",
"updated_at": "2022-09-04T14:37:40.340363Z",
"structure_string": "Ti4 Ga2 N2\n1.0\n1.509891 -2.615208 0.000000\n1.509891 2.615208 -0.000000\n0.000000 -0.000000 13.250719\nTi Ga N\n4 2 2\ndirect\n0.666667 0.333332 0.412998 Ti\n0.333332 0.666667 0.587002 Ti\n0.333332 0.666667 0.912998 Ti\n0.666667 0.333332 0.087002 Ti\n0.666667 0.333332 0.750000 Ga\n0.333332 0.666667 0.250000 Ga\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
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"formula_full": "Ti4 Ga2 N2",
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