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{
"id": "jvasp-92590",
"created_at": "2022-09-04T14:36:34.334238Z",
"updated_at": "2022-09-04T14:36:34.334259Z",
"structure_string": "Nd1 Si2 Ir2\n1.0\n4.249669 0.000000 0.000000\n0.000000 4.249669 0.000000\n-2.124833 -2.124833 5.004193\nNd Si Ir\n1 2 2\ndirect\n0.017996 0.017996 0.035994 Nd\n0.768002 0.268002 0.536003 Si\n0.268002 0.768002 0.536003 Si\n0.650353 0.650353 0.300706 Ir\n0.385647 0.385647 0.771292 Ir\n",
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{
"id": "jvasp-119594",
"created_at": "2022-09-04T14:38:49.423227Z",
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"structure_string": "Li4 Nb3 V3 Fe2 O16\n1.0\n5.932551 0.044644 0.096045\n2.950448 5.147039 0.096045\n0.049450 0.028901 9.868093\nLi Nb V Fe O\n4 3 3 2 16\ndirect\n0.343319 0.343318 0.100810 Li\n0.984048 0.984047 0.001746 Li\n0.982560 0.982559 0.509594 Li\n0.669568 0.669568 0.609223 Li\n0.169556 0.169556 0.783940 Nb\n0.839513 0.346686 0.285425 Nb\n0.346687 0.839512 0.285425 Nb\n0.178517 0.646427 0.786432 V\n0.826904 0.826903 0.286037 V\n0.646428 0.178516 0.786432 V\n0.338290 0.338289 0.508135 Fe\n0.666699 0.666698 0.996201 Fe\n0.835885 0.835884 0.889307 O\n0.830045 0.318732 0.898107 O\n0.667762 0.667762 0.411917 O\n0.520202 0.981368 0.163314 O\n0.981369 0.520201 0.163314 O\n0.162803 0.162803 0.409419 O\n0.032953 0.488804 0.662523 O\n0.485376 0.485375 0.668881 O\n0.159071 0.677785 0.395969 O\n-0.001665 -0.001665 0.181852 O\n-0.003463 -0.003463 0.689059 O\n0.329201 0.329201 0.906116 O\n0.523359 0.523359 0.156369 O\n0.677786 0.159070 0.395969 O\n0.488805 0.032952 0.662523 O\n0.318733 0.830044 0.898107 O\n",
"nsites": 28,
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"volume_molar": 6.4520912760936975,
"formula_full": "Li4 Nb3 V3 Fe2 O16",
"formula_reduced": "Li4Nb3V3(FeO8)2",
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{
"id": "jvasp-15777",
"created_at": "2022-09-04T14:36:19.056164Z",
"updated_at": "2022-09-04T14:36:19.056193Z",
"structure_string": "V6 Ni2\n1.0\n4.661742 -0.000000 0.000000\n-0.000000 4.661742 -0.000000\n0.000000 0.000000 4.661742\nV Ni\n6 2\ndirect\n0.500000 0.250000 0.000000 V\n0.500000 0.750000 0.000000 V\n0.250000 0.000000 0.500000 V\n0.750000 0.000000 0.500000 V\n0.000000 0.500000 0.250000 V\n0.000000 0.500000 0.750000 V\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 8,
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"elements": [
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"volume": 101.30822415409095,
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"formula_full": "V6 Ni2",
"formula_reduced": "V3Ni",
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"spacegroup": 223
},
{
"id": "jvasp-118418",
"created_at": "2022-09-04T14:38:50.354757Z",
"updated_at": "2022-09-04T14:38:50.354782Z",
"structure_string": "H1 I1 N2\n1.0\n3.509305 -0.000000 0.000000\n0.000000 3.509305 0.000000\n0.000000 -0.000000 4.533107\nH I N\n1 1 2\ndirect\n0.499999 0.499999 0.678160 H\n0.000000 0.000000 0.010893 I\n0.000000 0.000000 0.411694 N\n0.499999 0.499999 0.909253 N\n",
"nsites": 4,
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"elements": [
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"density": 4.637980363831834,
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"volume": 55.82621716456171,
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"formula_full": "H1 I1 N2",
"formula_reduced": "HIN2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-65010",
"created_at": "2022-09-04T14:35:48.553224Z",
"updated_at": "2022-09-04T14:35:48.553241Z",
"structure_string": "Be1 V1 P4\n1.0\n-0.000000 3.479556 3.479556\n3.479556 -0.000000 3.479556\n3.479556 3.479556 -0.000000\nBe V P\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 V\n0.126355 0.624549 0.624549 P\n0.624549 0.624549 0.624549 P\n0.624549 0.126355 0.624549 P\n0.624549 0.624549 0.126355 P\n",
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},
{
"id": "jvasp-79452",
"created_at": "2022-09-04T14:37:14.191403Z",
"updated_at": "2022-09-04T14:37:14.191430Z",
"structure_string": "Ir2 N2\n1.0\n2.749098 0.000000 0.000000\n-0.000000 2.749098 0.000000\n0.000000 0.000000 6.055650\nIr N\n2 2\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.750000 N\n0.000000 0.000000 0.250000 N\n",
"nsites": 4,
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"volume": 45.76581597225106,
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{
"id": "jvasp-109991",
"created_at": "2022-09-04T14:38:04.942282Z",
"updated_at": "2022-09-04T14:38:04.942305Z",
"structure_string": "Li1 Mn1 Ir2\n1.0\n3.601312 -0.000000 2.079218\n1.200437 3.395349 2.079218\n-0.000000 -0.000000 4.158437\nLi Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750001 Ir\n",
"nsites": 4,
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"elements": [
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"density": 14.575161736264347,
"density_atomic": 0.07866557035623514,
"volume": 50.84816625476808,
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"formula_full": "Li1 Mn1 Ir2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42733",
"created_at": "2022-09-04T14:35:41.873058Z",
"updated_at": "2022-09-04T14:35:41.873085Z",
"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
"nsites": 22,
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"elements": [
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],
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"volume": 206.72711817637185,
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"formula_full": "Li3 Mn5 Cr2 O12",
"formula_reduced": "Li3Mn5Cr2O12",
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{
"id": "jvasp-101289",
"created_at": "2022-09-04T14:38:15.645313Z",
"updated_at": "2022-09-04T14:38:15.645334Z",
"structure_string": "Tc4 P12\n1.0\n3.139276 -0.000000 0.000000\n0.000000 5.183310 0.000000\n0.000000 0.000000 15.514215\nTc P\n4 12\ndirect\n0.250000 0.349933 0.650642 Tc\n0.750001 0.650067 0.349357 Tc\n0.750001 0.849933 0.849357 Tc\n0.250000 0.150067 0.150643 Tc\n0.250000 0.521621 0.793071 P\n0.750001 0.478379 0.206929 P\n0.750001 0.021621 0.706928 P\n0.250000 0.978379 0.293071 P\n0.250000 0.352615 0.012848 P\n0.750001 0.647385 0.987152 P\n0.750001 0.852615 0.487152 P\n0.250000 0.147385 0.512847 P\n0.250000 0.321982 0.381700 P\n0.750001 0.678018 0.618300 P\n0.750001 0.821982 0.118300 P\n0.250000 0.178018 0.881700 P\n",
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{
"id": "jvasp-7722",
"created_at": "2022-09-04T14:37:03.252319Z",
"updated_at": "2022-09-04T14:37:03.252346Z",
"structure_string": "Dy2 Fe2 Si2 C1\n1.0\n3.681250 0.000000 1.352328\n1.490231 5.194727 1.629991\n0.011509 -0.012779 5.655304\nDy Fe Si C\n2 2 2 1\ndirect\n0.059410 0.674702 0.206478 Dy\n0.940590 0.325298 0.793521 Dy\n0.299512 0.806230 0.594746 Fe\n0.700487 0.193770 0.405254 Fe\n0.662963 0.890890 0.783183 Si\n0.337036 0.109111 0.216816 Si\n0.500000 0.500000 0.500000 C\n",
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"formula_full": "Dy2 Fe2 Si2 C1",
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{
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"created_at": "2022-09-04T14:37:44.919122Z",
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"structure_string": "Fe1 Re1\n1.0\n1.341624 -2.323760 -0.000000\n1.341624 2.323760 -0.000000\n0.000000 0.000000 4.142608\nFe Re\n1 1\ndirect\n0.333332 0.666666 0.500000 Fe\n0.666666 0.333332 0.000000 Re\n",
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{
"id": "jvasp-35806",
"created_at": "2022-09-04T14:37:29.797004Z",
"updated_at": "2022-09-04T14:37:29.797020Z",
"structure_string": "Sc1 Pt3 C1\n1.0\n4.241943 0.000000 -0.000000\n0.000000 4.241943 -0.000000\n-0.000000 0.000000 4.241943\nSc Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 C\n",
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