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{
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"created_at": "2022-09-04T14:36:20.975053Z",
"updated_at": "2022-09-04T14:36:20.975080Z",
"structure_string": "Cd1 N2 Cl2\n1.0\n0.000000 0.000000 -3.739739\n-3.641436 -4.102314 0.000000\n-3.641436 4.102314 0.000000\nCd N Cl\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.302529 0.697472 N\n0.000000 0.697472 0.302529 N\n0.500000 0.755731 0.755731 Cl\n0.500000 0.244270 0.244270 Cl\n",
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{
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"created_at": "2022-09-04T14:36:51.391234Z",
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"structure_string": "Cd1 Ni1 O2\n1.0\n3.204624 -0.000000 0.000000\n0.000000 3.204624 0.000000\n-0.000000 -0.000000 4.523505\nCd Ni O\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Cd\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500001 O\n0.499999 0.499999 -0.000000 O\n",
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{
"id": "jvasp-51186",
"created_at": "2022-09-04T14:37:05.245186Z",
"updated_at": "2022-09-04T14:37:05.245215Z",
"structure_string": "Cd1 Ni1 P1\n1.0\n-0.000000 3.018789 3.018789\n3.018789 0.000000 3.018789\n3.018789 3.018789 -0.000000\nCd Ni P\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 P\n",
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"elements": [
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"density": 6.09874125588195,
"density_atomic": 0.05452466206778818,
"volume": 55.0209737434086,
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"formula_full": "Cd1 Ni1 P1",
"formula_reduced": "CdNiP",
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"spacegroup": 216
},
{
"id": "jvasp-106651",
"created_at": "2022-09-04T14:37:00.032141Z",
"updated_at": "2022-09-04T14:37:00.032160Z",
"structure_string": "Cd1 Ni3 C1\n1.0\n3.855970 -0.000000 0.000000\n0.000000 3.855970 0.000000\n-0.000000 -0.000000 3.855970\nCd Ni C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 -0.000000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 C\n",
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"density": 8.703528998393045,
"density_atomic": 0.08721055799510394,
"volume": 57.33250784017118,
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"formula_full": "Cd1 Ni3 C1",
"formula_reduced": "CdNi3C",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-36674",
"created_at": "2022-09-04T14:37:27.446729Z",
"updated_at": "2022-09-04T14:37:27.446751Z",
"structure_string": "Cd1 Ni3 N1\n1.0\n3.859859 0.000000 -0.000000\n0.000000 3.859859 0.000000\n0.000000 0.000000 3.859859\nCd Ni N\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"elements": [
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"density": 8.734883976765316,
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"volume": 57.50615369941919,
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"formula_full": "Cd1 Ni3 N1",
"formula_reduced": "CdNi3N",
"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"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",
"nsites": 2,
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"elements": [
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"density": 5.981798073266836,
"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-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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"volume": 40.70884756244677,
"volume_molar": 12.25772050992187,
"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
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{
"id": "jvasp-20092",
"created_at": "2022-09-04T14:36:16.956402Z",
"updated_at": "2022-09-04T14:36:16.956417Z",
"structure_string": "Cd1 O1\n1.0\n2.912542 -0.000000 1.681557\n0.970847 2.745971 1.681557\n-0.000000 -0.000000 3.363113\nCd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 O\n",
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"elements": [
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"density": 7.9275628414611665,
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"volume": 26.897356731445484,
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"formula_full": "Cd1 O1",
"formula_reduced": "CdO",
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"spacegroup": 225
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{
"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",
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"elements": [
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"density_atomic": 0.06310549643563441,
"volume": 47.539440610532296,
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"formula_full": "Cd1 O2",
"formula_reduced": "CdO2",
"formula_anonymous": "AB2",
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"spacegroup": 47
},
{
"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",
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"density": 6.08167206395774,
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"spacegroup": 12
},
{
"id": "jvasp-78869",
"created_at": "2022-09-04T14:36:40.481861Z",
"updated_at": "2022-09-04T14:36:40.481882Z",
"structure_string": "Cd1 O2\n1.0\n-1.739847 -3.013793 0.000170\n-1.740097 3.013938 -0.000000\n0.000246 0.000142 -3.748570\nCd O\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333414 0.666708 0.266765 O\n0.666586 0.333293 0.733235 O\n",
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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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}