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{
"id": "jvasp-11800",
"created_at": "2022-09-04T14:37:07.370685Z",
"updated_at": "2022-09-04T14:37:07.370716Z",
"structure_string": "Ba1 Mn1 V2 Ag2 O8\n1.0\n2.775925 -4.808043 -0.000000\n2.775925 4.808043 0.000000\n0.000000 -0.000000 7.326711\nBa Mn V Ag O\n1 1 2 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.251640 V\n0.666666 0.333332 0.748359 V\n0.666666 0.333332 0.312215 Ag\n0.333332 0.666666 0.687785 Ag\n0.333332 0.666666 0.019163 O\n0.666666 0.333332 0.980837 O\n0.079995 0.749359 0.323598 O\n0.669363 0.920003 0.323598 O\n0.250640 0.330635 0.323598 O\n0.920003 0.250640 0.676402 O\n0.749358 0.669363 0.676402 O\n0.330635 0.079995 0.676402 O\n",
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{
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"created_at": "2022-09-04T14:38:30.396717Z",
"updated_at": "2022-09-04T14:38:30.396734Z",
"structure_string": "Sr1 Ag1 Pt1\n1.0\n5.188064 -0.000000 -0.000000\n-2.594032 4.492995 0.000000\n-0.000000 0.000000 2.963533\nSr Ag Pt\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Ag\n0.333333 0.666666 0.000000 Pt\n",
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{
"id": "jvasp-118002",
"created_at": "2022-09-04T14:38:30.423404Z",
"updated_at": "2022-09-04T14:38:30.423436Z",
"structure_string": "Cd2 In1\n1.0\n5.246792 0.000000 -1.340586\n0.000000 3.099044 0.000000\n-1.456028 0.000000 5.215923\nCd In\n2 1\ndirect\n-0.199994 0.000000 -0.200042 Cd\n0.133338 0.000000 0.466704 Cd\n0.466656 0.000000 0.133337 In\n",
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"elements": [
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"density_atomic": 0.03808943713142839,
"volume": 78.76199350619012,
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{
"id": "jvasp-118003",
"created_at": "2022-09-04T14:38:30.441462Z",
"updated_at": "2022-09-04T14:38:30.441496Z",
"structure_string": "Cd1 O1\n1.0\n3.665349 -0.000000 -0.000000\n-1.832674 3.174285 0.000000\n-0.000000 0.000000 3.498868\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333334 0.666667 0.000000 O\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cd-O",
"density": 5.237939625547989,
"density_atomic": 0.049129369160648174,
"volume": 40.70884756244677,
"volume_molar": 12.25772050992187,
"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"id": "jvasp-118005",
"created_at": "2022-09-04T14:38:49.434110Z",
"updated_at": "2022-09-04T14:38:49.434137Z",
"structure_string": "Cd2 O2\n1.0\n4.015627 -0.458270 -0.618562\n1.181189 -6.085158 -0.153969\n1.763463 -1.848273 -2.979866\nCd O\n2 2\ndirect\n0.158520 0.895071 -0.024156 Cd\n0.840892 0.513973 0.009696 Cd\n0.401761 0.243339 0.858673 O\n0.597618 0.165714 0.126864 O\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.0616365969590655,
"volume": 64.89650949835057,
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"formula_full": "Cd2 O2",
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"spacegroup": 2
},
{
"id": "jvasp-118006",
"created_at": "2022-09-04T14:38:53.842471Z",
"updated_at": "2022-09-04T14:38:53.842506Z",
"structure_string": "Cd1 O2\n1.0\n3.561356 0.000000 0.000000\n0.000000 3.322274 0.000000\n0.000000 0.000000 4.017938\nCd O\n1 2\ndirect\n0.466664 0.000000 0.000000 Cd\n-0.033332 0.000000 0.679617 O\n-0.033332 0.000000 0.320382 O\n",
"nsites": 3,
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"elements": [
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"density": 5.044193019948277,
"density_atomic": 0.06310549643563441,
"volume": 47.539440610532296,
"volume_molar": 9.542973433609529,
"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
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{
"id": "jvasp-118008",
"created_at": "2022-09-04T14:38:47.218332Z",
"updated_at": "2022-09-04T14:38:47.218353Z",
"structure_string": "Cd1 O2\n1.0\n3.988290 -0.189518 0.165144\n1.210326 -3.283803 0.819231\n0.261893 1.051752 -3.307159\nCd O\n1 2\ndirect\n0.881652 0.569727 0.068659 Cd\n0.175090 0.732918 0.643944 O\n0.588204 0.406573 0.493366 O\n",
"nsites": 3,
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"density": 6.08167206395774,
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"volume": 39.429635793916916,
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{
"id": "jvasp-118009",
"created_at": "2022-09-04T14:38:30.472405Z",
"updated_at": "2022-09-04T14:38:30.472434Z",
"structure_string": "Cd1 O1\n1.0\n3.157168 0.000000 -0.000000\n0.000000 3.157168 0.000000\n0.000000 0.000000 3.576203\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.000000 O\n",
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"density_atomic": 0.05610640572345938,
"volume": 35.64655361916641,
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"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
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"spacegroup": 123
},
{
"id": "jvasp-118010",
"created_at": "2022-09-04T14:38:49.471498Z",
"updated_at": "2022-09-04T14:38:49.471527Z",
"structure_string": "Cd2 O1\n1.0\n3.420667 0.000000 0.008551\n0.000000 3.369041 0.000000\n-0.014895 0.000000 5.656222\nCd O\n2 1\ndirect\n-0.199940 0.000000 -0.141062 Cd\n0.299821 0.000000 0.454381 Cd\n0.300118 0.000000 0.086681 O\n",
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"density": 6.134762787390712,
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"volume": 65.18480936137242,
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"formula_full": "Cd2 O1",
"formula_reduced": "Cd2O",
"formula_anonymous": "AB2",
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"spacegroup": 25
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{
"id": "jvasp-118011",
"created_at": "2022-09-04T14:38:54.021070Z",
"updated_at": "2022-09-04T14:38:54.021099Z",
"structure_string": "Cd1 O3\n1.0\n3.148097 0.099649 0.195998\n0.098273 -3.181126 0.019593\n0.550766 2.750221 -5.564221\nCd O\n1 3\ndirect\n0.005732 0.042292 0.015137 Cd\n0.511176 0.536581 0.011932 O\n0.091167 0.356459 0.594542 O\n0.272544 0.453217 0.437454 O\n",
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"elements": [
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"volume": 56.00515501414024,
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"formula_full": "Cd1 O3",
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},
{
"id": "jvasp-118013",
"created_at": "2022-09-04T14:38:54.106384Z",
"updated_at": "2022-09-04T14:38:54.106419Z",
"structure_string": "Cd1 P1 S4\n1.0\n-3.210766 2.493801 4.401914\n3.210766 -2.493801 4.401914\n3.210766 2.493801 -4.401914\nCd P S\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 P\n0.628036 0.675730 0.568633 S\n0.371964 -0.059405 0.047693 S\n0.892902 0.324269 -0.047694 S\n0.107098 0.059403 0.431367 S\n",
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"volume": 140.98470340331133,
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"formula_full": "Cd1 P1 S4",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-118014",
"created_at": "2022-09-04T14:38:30.497491Z",
"updated_at": "2022-09-04T14:38:30.497516Z",
"structure_string": "Cd1 Sn1 Te1\n1.0\n3.128627 -0.000000 -0.000000\n0.000000 3.128627 0.000000\n0.000000 0.000000 9.220585\nCd Sn Te\n1 1 1\ndirect\n0.000000 0.000000 0.372924 Cd\n0.000000 0.000000 0.700208 Sn\n0.000000 0.000000 0.038550 Te\n",
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