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{
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{
"id": "jvasp-87168",
"created_at": "2022-09-04T14:36:10.683160Z",
"updated_at": "2022-09-04T14:36:10.683187Z",
"structure_string": "Na2 Zr1 Ni1 P4 O14\n1.0\n6.472565 0.131690 0.823628\n0.111633 6.349931 2.649650\n0.136424 0.173555 6.556907\nNa Zr Ni P O\n2 1 1 4 14\ndirect\n0.466647 0.925120 0.415526 Na\n0.745156 0.591446 0.820532 Na\n0.989468 0.992380 0.031402 Zr\n0.298530 0.550632 0.205191 Ni\n0.262929 0.447957 0.749825 P\n0.507961 0.029196 0.877159 P\n0.032350 0.133902 0.466438 P\n0.772190 0.537652 0.325010 P\n0.333960 0.554224 0.886962 O\n0.589564 0.928416 0.719862 O\n0.063080 0.315108 0.869977 O\n0.954326 0.021561 0.333848 O\n0.315873 0.918537 0.049511 O\n0.437498 0.268426 0.736987 O\n0.969414 0.651194 0.157358 O\n0.861498 0.307593 0.482043 O\n0.239604 0.235794 0.353763 O\n0.695448 0.648660 0.475105 O\n0.616187 0.505195 0.191102 O\n0.243261 0.594201 0.505822 O\n0.672624 0.043834 0.020190 O\n0.039914 0.979462 0.712803 O\n",
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{
"id": "jvasp-52424",
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"updated_at": "2022-09-04T14:38:14.843192Z",
"structure_string": "V2 Bi4 O11\n1.0\n5.671017 0.069555 0.080768\n2.112572 6.050847 0.127163\n0.486080 0.891786 7.958204\nV Bi O\n2 4 11\ndirect\n0.937837 0.554923 0.598213 V\n0.123985 0.105988 0.156463 V\n0.109814 0.993579 0.676284 Bi\n0.672865 0.736903 0.993506 Bi\n0.453717 0.354948 0.823216 Bi\n0.587014 0.231438 0.321493 Bi\n0.236603 0.393336 0.540779 O\n0.976949 0.531305 0.819004 O\n0.750543 0.401582 0.564102 O\n0.485315 0.431505 0.079020 O\n0.905844 0.970636 0.192186 O\n0.269236 0.075680 0.953059 O\n0.446453 0.719250 0.779380 O\n0.792974 0.017603 0.845085 O\n0.369352 -0.004678 0.299973 O\n0.884847 0.837404 0.528748 O\n0.963252 0.372601 0.192587 O\n",
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"volume": 271.1878674796033,
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{
"id": "jvasp-17959",
"created_at": "2022-09-04T14:38:13.608495Z",
"updated_at": "2022-09-04T14:38:13.608520Z",
"structure_string": "Fe6 Ge2\n1.0\n2.564064 -4.441090 -0.000000\n2.564064 4.441090 -0.000000\n-0.000000 0.000000 4.203538\nFe Ge\n6 2\ndirect\n0.324106 0.162053 0.750000 Fe\n0.162053 0.837946 0.250000 Fe\n0.162053 0.324106 0.250000 Fe\n0.837945 0.675892 0.750000 Fe\n0.837946 0.162053 0.750000 Fe\n0.675892 0.837945 0.250000 Fe\n0.333332 0.666666 0.750000 Ge\n0.666666 0.333332 0.250000 Ge\n",
"nsites": 8,
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"elements": [
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],
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"density": 8.331889154067655,
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"volume": 95.73338361707555,
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"formula_full": "Fe6 Ge2",
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{
"id": "jvasp-92953",
"created_at": "2022-09-04T14:36:13.639940Z",
"updated_at": "2022-09-04T14:36:13.639971Z",
"structure_string": "Fe6 Ge2\n1.0\n0.000000 0.000000 -4.203657\n-2.564014 -4.441218 0.000000\n-2.564014 4.441218 -0.000000\nFe Ge\n6 2\ndirect\n0.750001 0.162060 0.324090 Fe\n0.750001 0.162063 0.837936 Fe\n0.750001 0.675908 0.837938 Fe\n0.250000 0.837938 0.675908 Fe\n0.250000 0.837936 0.162063 Fe\n0.250000 0.324090 0.162060 Fe\n0.750001 0.666678 0.333320 Ge\n0.250000 0.333320 0.666678 Ge\n",
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{
"id": "jvasp-22541",
"created_at": "2022-09-04T14:37:27.924083Z",
"updated_at": "2022-09-04T14:37:27.924120Z",
"structure_string": "H4 Br1 N1\n1.0\n4.004667 0.000000 -0.000000\n0.000000 4.004667 0.000000\n-0.000000 0.000000 4.004667\nH Br N\n4 1 1\ndirect\n0.150637 0.150637 0.849364 H\n0.150637 0.849364 0.150637 H\n0.849364 0.150637 0.150637 H\n0.849364 0.849364 0.849364 H\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
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"elements": [
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],
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"density_atomic": 0.09342261581044631,
"volume": 64.22427747231943,
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"formula_full": "H4 Br1 N1",
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{
"id": "jvasp-10331",
"created_at": "2022-09-04T14:37:20.128613Z",
"updated_at": "2022-09-04T14:37:20.128630Z",
"structure_string": "Mg2 Cr4 O10\n1.0\n3.642537 -0.000000 0.000000\n-1.821268 4.972640 -0.000000\n0.000000 0.000000 11.128964\nMg Cr O\n2 4 10\ndirect\n0.898705 0.797409 0.750000 Mg\n0.101296 0.202592 0.250000 Mg\n0.210000 0.420001 0.596581 Cr\n0.790001 0.580000 0.403417 Cr\n0.790001 0.580000 0.096583 Cr\n0.210000 0.420001 0.903418 Cr\n0.697285 0.394568 0.250000 O\n0.302716 0.605433 0.750000 O\n0.229995 0.459988 0.077164 O\n0.770008 0.540013 0.922836 O\n0.770008 0.540013 0.577163 O\n0.229995 0.459988 0.422835 O\n0.047374 0.094748 0.629142 O\n0.952626 0.905251 0.370857 O\n0.047374 0.094748 0.870857 O\n0.952626 0.905251 0.129143 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Cr-Mg-O",
"density": 3.431709694719551,
"density_atomic": 0.07937326660540553,
"volume": 201.579205244784,
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"formula_full": "Mg2 Cr4 O10",
"formula_reduced": "MgCr2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"id": "jvasp-12552",
"created_at": "2022-09-04T14:38:09.491868Z",
"updated_at": "2022-09-04T14:38:09.491891Z",
"structure_string": "H8 Br2 N2\n1.0\n5.703863 0.000000 0.000000\n0.000000 5.703863 0.000000\n0.000000 -0.000000 4.063732\nH Br N\n8 2 2\ndirect\n0.850113 0.000000 0.851906 H\n0.149886 0.000000 0.851906 H\n0.500000 0.350113 0.851906 H\n0.500000 0.649886 0.851906 H\n0.000000 0.149886 0.148093 H\n0.649886 0.500000 0.148093 H\n0.350113 0.500000 0.148093 H\n0.000000 0.850113 0.148093 H\n0.500000 0.000000 0.534375 Br\n0.000000 0.500000 0.465624 Br\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.4602932252675016,
"density_atomic": 0.09076491718845202,
"volume": 132.2096727646963,
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"formula_full": "H8 Br2 N2",
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"formula_anonymous": "ABC4",
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"spacegroup": 129
},
{
"id": "jvasp-20249",
"created_at": "2022-09-04T14:37:45.355910Z",
"updated_at": "2022-09-04T14:37:45.355931Z",
"structure_string": "Ta2 As2\n1.0\n3.338419 -0.000000 -0.945035\n-0.267520 3.327684 -0.945035\n0.002227 0.002413 6.377013\nTa As\n2 2\ndirect\n0.000006 0.000006 0.000014 Ta\n0.750007 0.250006 0.500013 Ta\n0.417695 0.417693 0.835385 As\n0.167694 0.667693 0.335386 As\n",
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},
{
"id": "jvasp-20518",
"created_at": "2022-09-04T14:37:48.897775Z",
"updated_at": "2022-09-04T14:37:48.897803Z",
"structure_string": "Ta2 As2\n1.0\n3.338419 -0.000000 -0.945035\n-0.267520 3.327684 -0.945035\n0.002227 0.002413 6.377013\nTa As\n2 2\ndirect\n0.000006 0.000006 0.000014 Ta\n0.750007 0.250006 0.500013 Ta\n0.417695 0.417693 0.835385 As\n0.167694 0.667693 0.335386 As\n",
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{
"id": "jvasp-42567",
"created_at": "2022-09-04T14:36:12.966899Z",
"updated_at": "2022-09-04T14:36:12.966925Z",
"structure_string": "Li2 Mg2 Mn1 Fe1 P4 O16\n1.0\n4.783543 -0.008854 0.002133\n-0.068369 5.900800 -0.000052\n-0.123612 -0.012911 10.010835\nLi Mg Mn Fe P O\n2 2 1 1 4 16\ndirect\n-0.000975 0.539382 -0.008305 Li\n0.489820 0.958365 0.492966 Li\n0.028803 0.748985 0.277966 Mg\n0.472820 0.749592 0.776293 Mg\n0.554867 0.250114 0.218681 Mn\n0.968372 0.247530 0.723763 Fe\n0.919337 0.747868 0.595258 P\n0.572951 0.751973 0.094436 P\n0.093550 0.251710 0.400844 P\n0.415154 0.249300 0.907039 P\n0.679675 0.751023 0.951432 O\n0.789494 0.545087 0.676405 O\n0.770006 0.241594 0.380558 O\n0.732684 0.262682 0.890468 O\n0.709261 0.953199 0.176503 O\n0.726641 0.545768 0.166381 O\n0.337378 0.247108 0.057653 O\n0.228608 0.452682 0.326373 O\n0.273845 0.049734 0.829750 O\n0.257509 0.738735 0.105671 O\n0.236117 0.761499 0.607679 O\n0.771410 0.956555 0.666929 O\n0.237807 0.039342 0.339647 O\n0.161909 0.252085 0.551895 O\n0.260764 0.457552 0.842657 O\n0.812188 0.750545 0.451052 O\n",
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{
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"structure_string": "U1 Si1 Au1\n1.0\n2.145161 -3.715529 -0.000000\n2.145161 3.715529 0.000000\n0.000000 0.000000 3.902822\nU Si Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Au\n",
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{
"id": "jvasp-120020",
"created_at": "2022-09-04T14:38:37.135974Z",
"updated_at": "2022-09-04T14:38:37.135987Z",
"structure_string": "H4 Br1 N1\n1.0\n3.995601 0.000000 -0.000000\n-0.000000 3.995601 0.000000\n-0.000000 0.000000 3.995601\nH Br N\n4 1 1\ndirect\n0.150499 0.150499 0.849499 H\n0.150499 0.849499 0.150499 H\n0.849499 0.150499 0.150499 H\n0.849499 0.849499 0.849499 H\n0.499999 0.499999 0.499999 Br\n0.000000 0.000000 0.000000 N\n",
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}
]
}