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"results": [
{
"id": "jvasp-90836",
"created_at": "2022-09-04T14:36:17.731491Z",
"updated_at": "2022-09-04T14:36:17.731508Z",
"structure_string": "Ce2 As2 Ru2 O2\n1.0\n4.108097 -0.000000 0.000000\n0.000000 4.108097 -0.000000\n0.000000 -0.000000 8.013324\nCe As Ru O\n2 2 2 2\ndirect\n0.750001 0.750001 0.853824 Ce\n0.250000 0.250000 0.146176 Ce\n0.750001 0.750001 0.336086 As\n0.250000 0.250000 0.663913 As\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750001 0.500000 Ru\n0.750001 0.250000 0.000000 O\n0.250000 0.750001 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:27.689644Z",
"structure_string": "Sc1 Sb1 Pb2 O6\n1.0\n5.036915 0.000091 -2.864295\n-1.687901 4.714858 -2.914757\n0.019158 -0.000091 5.794337\nSc Sb Pb O\n1 1 2 6\ndirect\n0.983072 -0.000000 0.983072 Sc\n0.495420 0.500000 0.995420 Sb\n0.202547 0.755331 0.447214 Pb\n0.691884 0.244669 0.447214 Pb\n0.268953 0.243281 0.512234 O\n0.268953 0.756719 0.025671 O\n0.762895 0.744858 0.018035 O\n0.751753 0.736243 0.487995 O\n0.751753 0.263757 0.015509 O\n0.273177 0.255142 0.018035 O\n",
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},
{
"id": "jvasp-74585",
"created_at": "2022-09-04T14:36:02.745417Z",
"updated_at": "2022-09-04T14:36:02.745448Z",
"structure_string": "Be2 Cr1 Bi1\n1.0\n-1.852656 1.852656 4.137905\n1.852656 -1.852656 4.137905\n1.852656 1.852656 -4.137905\nBe Cr Bi\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Cr\n0.499999 0.499999 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.07040928104745323,
"volume": 56.810692290752826,
"volume_molar": 8.553049641199008,
"formula_full": "Be2 Cr1 Bi1",
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"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-90229",
"created_at": "2022-09-04T14:35:49.937107Z",
"updated_at": "2022-09-04T14:35:49.937126Z",
"structure_string": "Mn3 As3 Pd3\n1.0\n0.000000 0.000000 -3.730185\n-3.342227 -5.788908 0.000000\n-3.342017 5.788786 0.000000\nMn As Pd\n3 3 3\ndirect\n0.500001 0.595604 0.000000 Mn\n0.500001 0.404368 0.404389 Mn\n0.500001 0.999980 0.595612 Mn\n0.000000 0.333302 0.666633 As\n0.000000 0.666669 0.333368 As\n0.500001 0.000021 0.000000 As\n0.000000 0.264476 0.000000 Pd\n0.000000 0.735532 0.735582 Pd\n0.000000 0.999951 0.264420 Pd\n",
"nsites": 9,
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"elements": [
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"As",
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],
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"density": 8.154961677544112,
"density_atomic": 0.0623544958325308,
"volume": 144.3360238878659,
"volume_molar": 9.657909473238345,
"formula_full": "Mn3 As3 Pd3",
"formula_reduced": "MnAsPd",
"formula_anonymous": "ABC",
"energy_above_hull": 2.38776823045977,
"spacegroup": 189
},
{
"id": "jvasp-75613",
"created_at": "2022-09-04T14:35:46.014044Z",
"updated_at": "2022-09-04T14:35:46.014074Z",
"structure_string": "As1 Pt1 Cl1\n1.0\n-0.000000 3.144731 3.144731\n3.144731 0.000000 3.144731\n3.144731 3.144731 -0.000000\nAs Pt Cl\n1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
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"elements": [
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],
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"volume": 62.198584501063145,
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"formula_full": "As1 Pt1 Cl1",
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"spacegroup": 216
},
{
"id": "jvasp-17612",
"created_at": "2022-09-04T14:38:31.523019Z",
"updated_at": "2022-09-04T14:38:31.523047Z",
"structure_string": "Mn3 Ge1\n1.0\n3.643086 0.000000 -0.000000\n-0.000000 3.643086 -0.000000\n0.000000 0.000000 3.643086\nMn Ge\n3 1\ndirect\n0.000000 0.500001 0.500001 Mn\n0.500001 0.500001 0.000000 Mn\n0.500001 0.000000 0.500001 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"formula_full": "Mn3 Ge1",
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"spacegroup": 221
},
{
"id": "jvasp-63209",
"created_at": "2022-09-04T14:36:04.103793Z",
"updated_at": "2022-09-04T14:36:04.103827Z",
"structure_string": "Mn3 As3 Pd3\n1.0\n3.342340 -5.789101 -0.000000\n3.342340 5.789101 0.000000\n0.000000 -0.000000 3.730167\nMn As Pd\n3 3 3\ndirect\n0.000000 0.595615 0.500000 Mn\n0.595615 0.000000 0.500000 Mn\n0.404385 0.404385 0.500000 Mn\n0.666667 0.333333 0.000000 As\n0.333333 0.666667 0.000000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.264462 0.000000 Pd\n0.264462 0.000000 0.000000 Pd\n0.735538 0.735538 0.000000 Pd\n",
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"volume": 144.35107563313773,
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"formula_full": "Mn3 As3 Pd3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-13887",
"created_at": "2022-09-04T14:36:17.045101Z",
"updated_at": "2022-09-04T14:36:17.045126Z",
"structure_string": "Th6 Si4\n1.0\n9.495840 0.000000 -0.000000\n0.000000 9.495840 -0.000000\n0.000000 0.000000 3.398004\nTh Si\n6 4\ndirect\n0.793194 0.706806 0.499999 Th\n0.293194 0.793194 0.499999 Th\n0.206806 0.293194 0.499999 Th\n0.706806 0.206806 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Th\n0.084966 0.584966 0.499999 Si\n0.584966 0.915034 0.499999 Si\n0.415034 0.084966 0.499999 Si\n0.915034 0.415034 0.499999 Si\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Si-Th",
"density": 8.154004314864261,
"density_atomic": 0.032636932817638,
"volume": 306.40134156833795,
"volume_molar": 18.4519200797737,
"formula_full": "Th6 Si4",
"formula_reduced": "Th3Si2",
"formula_anonymous": "A2B3",
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"spacegroup": 127
},
{
"id": "jvasp-81122",
"created_at": "2022-09-04T14:37:12.182119Z",
"updated_at": "2022-09-04T14:37:12.182143Z",
"structure_string": "Na1 Cd1 Pd2\n1.0\n-10.952924 2.483377 -2.268068\n-7.487451 1.407042 1.034061\n-6.604828 3.904647 -0.494839\nNa Cd Pd\n1 1 2\ndirect\n0.000000 -0.000000 -0.000000 Na\n0.500000 -0.000001 0.000001 Cd\n0.771688 -0.015505 -0.015522 Pd\n0.228312 0.015503 0.015524 Pd\n",
"nsites": 4,
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"volume": 70.91913399524053,
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"formula_full": "Na1 Cd1 Pd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-92307",
"created_at": "2022-09-04T14:35:49.017655Z",
"updated_at": "2022-09-04T14:35:49.017678Z",
"structure_string": "Ga2 Cu4\n1.0\n-4.227599 -0.000000 0.000000\n-2.113800 -2.586982 3.664974\n-2.113800 2.586982 3.664974\nGa Cu\n2 4\ndirect\n0.499964 0.750036 0.250036 Ga\n0.500037 0.249963 0.749963 Ga\n0.166572 0.333432 0.333423 Cu\n0.833429 0.666567 0.666576 Cu\n0.833429 0.166577 0.166567 Cu\n0.166573 0.833422 0.833431 Cu\n",
"nsites": 6,
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"elements": [
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"volume": 80.16560733430708,
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"formula_full": "Ga2 Cu4",
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"formula_anonymous": "AB2",
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"spacegroup": 191
},
{
"id": "jvasp-22015",
"created_at": "2022-09-04T14:38:17.393105Z",
"updated_at": "2022-09-04T14:38:17.393122Z",
"structure_string": "Dy6 Mn2 B14\n1.0\n3.447039 0.000000 0.000000\n-1.723520 7.862317 -0.000000\n0.000000 0.000000 9.290135\nDy Mn B\n6 2 14\ndirect\n0.104167 0.208333 0.939310 Dy\n0.895833 0.791667 0.439310 Dy\n0.104167 0.208333 0.560689 Dy\n0.759057 0.518114 0.750000 Dy\n0.240943 0.481886 0.250000 Dy\n0.895833 0.791667 0.060689 Dy\n0.946042 0.892083 0.750000 Mn\n0.053958 0.107917 0.250000 Mn\n0.630045 0.260090 0.347192 B\n0.369955 0.739910 0.652807 B\n0.272775 0.545549 0.532820 B\n0.460466 0.920932 0.250000 B\n0.272775 0.545549 0.967179 B\n0.630045 0.260090 0.152808 B\n0.369955 0.739910 0.847192 B\n0.478203 0.956405 0.598328 B\n0.521798 0.043595 0.401672 B\n0.521798 0.043595 0.098328 B\n0.478203 0.956405 0.901671 B\n0.539534 0.079068 0.750000 B\n0.727226 0.454451 0.032821 B\n0.727226 0.454451 0.467179 B\n",
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"density": 8.153228904313268,
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"volume": 251.77857556108174,
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"formula_full": "Dy6 Mn2 B14",
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{
"id": "jvasp-68479",
"created_at": "2022-09-04T14:35:54.330907Z",
"updated_at": "2022-09-04T14:35:54.330944Z",
"structure_string": "Be1 Cd1 Tc1\n1.0\n1.398339 -2.421995 0.000000\n1.398339 2.421995 -0.000000\n0.000000 0.000000 6.597812\nBe Cd Tc\n1 1 1\ndirect\n0.000000 0.000000 0.975197 Be\n0.666668 0.333333 0.322421 Cd\n0.333333 0.666668 0.702381 Tc\n",
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}