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{
"id": "jvasp-12594",
"created_at": "2022-09-04T14:37:34.538092Z",
"updated_at": "2022-09-04T14:37:34.538102Z",
"structure_string": "Nd2 H4 Cl2 O4\n1.0\n0.000000 6.222024 0.039370\n3.894635 0.000000 0.000000\n0.000000 -2.648651 -6.304850\nNd H Cl O\n2 4 2 4\ndirect\n0.688442 0.250000 0.865492 Nd\n0.311558 0.750001 0.134508 Nd\n0.296490 0.750001 0.691236 H\n0.703510 0.250000 0.308764 H\n0.886166 0.750001 0.222307 H\n0.113834 0.250000 0.777693 H\n0.754424 0.750001 0.557150 Cl\n0.245575 0.250000 0.442850 Cl\n0.100716 0.250000 0.915746 O\n0.899283 0.750001 0.084254 O\n0.575883 0.250000 0.167631 O\n0.424116 0.750001 0.832369 O\n",
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{
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"structure_string": "Nd3 Ho1 Zr4 O14\n1.0\n6.539802 0.001553 3.770830\n2.179243 6.166029 3.770830\n0.002195 0.001553 7.549051\nNd Ho Zr O\n3 1 4 14\ndirect\n-0.000001 0.500000 0.500000 Nd\n0.500000 0.500000 0.000000 Nd\n0.500000 -0.000000 0.500000 Nd\n0.499999 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Zr\n0.500000 -0.000000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n-0.000000 0.500000 0.000000 Zr\n0.086365 0.086365 0.663667 O\n0.663880 0.663880 0.089086 O\n0.663666 0.086365 0.086365 O\n0.089085 0.663880 0.663881 O\n0.336119 0.910914 0.336120 O\n0.913634 0.336333 0.913636 O\n0.910914 0.336119 0.336120 O\n0.336119 0.336119 0.910915 O\n0.336333 0.913635 0.913635 O\n0.086365 0.663666 0.086365 O\n0.620240 0.620241 0.620241 O\n0.379759 0.379759 0.379759 O\n0.913634 0.913635 0.336334 O\n0.663880 0.089085 0.663881 O\n",
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"elements": [
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"formula_full": "Nd3 Ho1 Zr4 O14",
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{
"id": "jvasp-8630",
"created_at": "2022-09-04T14:36:41.981312Z",
"updated_at": "2022-09-04T14:36:41.981327Z",
"structure_string": "Nd2 Mn2 As2 O2\n1.0\n3.959770 0.000000 0.000000\n0.000000 3.959770 0.000000\n0.000000 0.000000 8.731585\nNd Mn As O\n2 2 2 2\ndirect\n0.500000 0.000000 0.859769 Nd\n0.000000 0.500000 0.140232 Nd\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.341999 As\n0.000000 0.500000 0.658001 As\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"elements": [
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"density_atomic": 0.058432837858246586,
"volume": 136.90931834266485,
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"formula_full": "Nd2 Mn2 As2 O2",
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"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-99563",
"created_at": "2022-09-04T14:36:40.046185Z",
"updated_at": "2022-09-04T14:36:40.046214Z",
"structure_string": "Nd2 Mn2 As2 O2\n1.0\n3.960664 -0.000000 0.000000\n0.000000 3.960664 0.000000\n-0.000000 -0.000000 8.728403\nNd Mn As O\n2 2 2 2\ndirect\n0.750000 0.750000 0.859784 Nd\n0.249999 0.249999 0.140215 Nd\n0.249999 0.750000 0.500000 Mn\n0.750000 0.249999 0.500000 Mn\n0.750000 0.750000 0.341793 As\n0.249999 0.249999 0.658207 As\n0.249999 0.750000 -0.000000 O\n0.750000 0.249999 -0.000000 O\n",
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],
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"density": 7.0365146242838295,
"density_atomic": 0.058427754428639976,
"volume": 136.9212299570866,
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"formula_full": "Nd2 Mn2 As2 O2",
"formula_reduced": "NdMnAsO",
"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-121343",
"created_at": "2022-09-04T14:38:53.033517Z",
"updated_at": "2022-09-04T14:38:53.033535Z",
"structure_string": "Nd1 Mn5 Cu2 O12\n1.0\n5.990933 -0.087141 -2.130637\n-2.952571 5.202970 -2.156365\n-0.025627 0.087141 6.358478\nNd Mn Cu O\n1 5 2 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n0.499999 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.127133 0.304144 0.822988 O\n0.481156 0.304145 0.177011 O\n0.821281 0.120585 0.299304 O\n0.178718 0.478023 0.299304 O\n0.821281 0.521977 0.700695 O\n0.303467 0.181400 0.484867 O\n0.696532 0.181400 0.877932 O\n0.696532 0.818600 0.515132 O\n0.872866 0.695855 0.177010 O\n0.303467 0.818600 0.122066 O\n0.178718 0.879415 0.700695 O\n0.518843 0.695855 0.822988 O\n",
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"formula_full": "Nd1 Mn5 Cu2 O12",
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{
"id": "jvasp-107535",
"created_at": "2022-09-04T14:36:57.837908Z",
"updated_at": "2022-09-04T14:36:57.837937Z",
"structure_string": "Nd2 Mn2 Cu1 Si3\n1.0\n9.169766 0.017637 0.000000\n-8.251549 3.999607 0.000000\n-0.000000 -0.000000 3.972098\nNd Mn Cu Si\n2 2 1 3\ndirect\n0.899784 0.100218 -0.000000 Nd\n0.102283 0.897719 0.500000 Nd\n0.251413 0.748588 -0.000000 Mn\n0.752552 0.247450 0.500000 Mn\n0.668273 0.331729 -0.000000 Cu\n0.537382 0.462619 -0.000000 Si\n0.463711 0.536291 0.500000 Si\n0.324611 0.675391 0.500000 Si\n",
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],
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"volume": 146.25659206415253,
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"formula_full": "Nd2 Mn2 Cu1 Si3",
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"formula_anonymous": "AB2C2D3",
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"spacegroup": 38
},
{
"id": "jvasp-103063",
"created_at": "2022-09-04T14:36:40.712887Z",
"updated_at": "2022-09-04T14:36:40.712899Z",
"structure_string": "Nd2 Mn1 Fe3 Ge4\n1.0\n4.061192 0.000000 0.000000\n0.000000 4.061192 0.000000\n0.000000 0.000000 10.389134\nNd Mn Fe Ge\n2 1 3 4\ndirect\n0.000000 0.000000 0.993304 Nd\n0.500000 0.500000 0.506695 Nd\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Fe\n0.500000 0.000000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.500000 0.500000 0.125111 Ge\n0.000000 0.000000 0.637623 Ge\n0.000000 0.000000 0.374889 Ge\n0.500000 0.500000 0.862377 Ge\n",
"nsites": 10,
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],
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"density": 7.7673963749016455,
"density_atomic": 0.058359774899779386,
"volume": 171.35090080749785,
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"formula_full": "Nd2 Mn1 Fe3 Ge4",
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"formula_anonymous": "AB2C3D4",
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"spacegroup": 115
},
{
"id": "jvasp-104708",
"created_at": "2022-09-04T14:36:58.121951Z",
"updated_at": "2022-09-04T14:36:58.121983Z",
"structure_string": "Nd1 Mn1 Fe1 Ge2\n1.0\n3.745922 -0.058048 -4.747929\n-0.496329 3.713349 -4.747929\n0.051605 0.058048 6.047487\nNd Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500001 Mn\n0.750000 0.250000 0.500000 Fe\n0.626976 0.626976 -0.000001 Ge\n0.373023 0.373023 -0.000000 Ge\n",
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"formula_full": "Nd1 Mn1 Fe1 Ge2",
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"spacegroup": 119
},
{
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"created_at": "2022-09-04T14:36:37.838203Z",
"updated_at": "2022-09-04T14:36:37.838230Z",
"structure_string": "Nd2 Mn3 Fe1 Ge4\n1.0\n4.001027 0.000000 0.000000\n0.000000 4.001027 0.000000\n-0.000000 0.000000 10.905895\nNd Mn Fe Ge\n2 3 1 4\ndirect\n0.500000 0.000000 0.752985 Nd\n0.000000 0.500000 0.247015 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.877536 Ge\n0.500000 0.000000 0.372924 Ge\n0.500000 0.000000 0.122464 Ge\n0.000000 0.500000 0.627076 Ge\n",
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{
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"structure_string": "Nd2 Mn3 Fe1 Si4\n1.0\n3.973626 0.000000 0.000000\n0.000000 3.973626 0.000000\n0.000000 0.000000 10.422576\nNd Mn Fe Si\n2 3 1 4\ndirect\n0.500000 0.000000 0.752710 Nd\n0.000000 0.500000 0.247291 Nd\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.879949 Si\n0.500000 0.000000 0.374331 Si\n0.500000 0.000000 0.120052 Si\n0.000000 0.500000 0.625669 Si\n",
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{
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"structure_string": "Nd2 Mn1 Fe3 Si4\n1.0\n3.998206 0.000000 0.000000\n0.000000 3.998206 0.000000\n-0.000000 -0.000000 9.990343\nNd Mn Fe Si\n2 1 3 4\ndirect\n0.000000 0.000000 0.994061 Nd\n0.500000 0.500000 0.505938 Nd\n-0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.750000 Fe\n0.500000 0.000000 0.250000 Fe\n-0.000000 0.500000 0.750000 Fe\n0.500000 0.500000 0.128389 Si\n0.000000 0.000000 0.641571 Si\n0.000000 0.000000 0.371611 Si\n0.500000 0.500000 0.858429 Si\n",
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{
"id": "jvasp-8629",
"created_at": "2022-09-04T14:36:41.339765Z",
"updated_at": "2022-09-04T14:36:41.339792Z",
"structure_string": "Nd2 Mn2 P2 O2\n1.0\n3.941763 -0.000000 0.000000\n0.000000 3.941763 0.000000\n0.000000 -0.000000 8.352955\nNd Mn P O\n2 2 2 2\ndirect\n0.500000 0.000000 0.852934 Nd\n0.000000 0.500000 0.147066 Nd\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.364056 P\n0.000000 0.500000 0.635943 P\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Nd2 Mn2 P2 O2",
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}
]
}