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{
"id": "jvasp-20210",
"created_at": "2022-09-04T14:37:33.783110Z",
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"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433193 -2.551502\n-0.003386 -0.004621 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
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{
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{
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{
"id": "jvasp-75839",
"created_at": "2022-09-04T14:35:51.126872Z",
"updated_at": "2022-09-04T14:35:51.126891Z",
"structure_string": "Si1 Mo2 As1\n1.0\n0.000000 3.148084 3.148084\n3.148084 0.000000 3.148084\n3.148084 3.148084 -0.000000\nSi Mo As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Si\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
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"elements": [
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"density": 7.847583404246685,
"density_atomic": 0.06410487525910129,
"volume": 62.397750308890906,
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"formula_full": "Si1 Mo2 As1",
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"spacegroup": 216
},
{
"id": "jvasp-19652",
"created_at": "2022-09-04T14:38:19.590601Z",
"updated_at": "2022-09-04T14:38:19.590617Z",
"structure_string": "Si2 Mo6\n1.0\n4.917917 0.000000 0.000000\n0.000000 4.917917 0.000000\n0.000000 0.000000 4.917917\nSi Mo\n2 6\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.750000 0.000000 0.500000 Mo\n0.250000 0.000000 0.500000 Mo\n",
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"elements": [
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"volume": 118.94428623936373,
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"formula_full": "Si2 Mo6",
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"spacegroup": 223
},
{
"id": "jvasp-118568",
"created_at": "2022-09-04T14:38:45.562345Z",
"updated_at": "2022-09-04T14:38:45.562368Z",
"structure_string": "S1 I1 N1\n1.0\n3.206050 0.000000 -0.000000\n-0.000000 3.206050 -0.000000\n0.000000 -0.000000 8.680282\nS I N\n1 1 1\ndirect\n0.000000 0.000000 0.789648 S\n0.000000 0.000000 0.373367 I\n0.000000 0.000000 -0.039278 N\n",
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"elements": [
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{
"id": "jvasp-32959",
"created_at": "2022-09-04T14:37:08.412345Z",
"updated_at": "2022-09-04T14:37:08.412369Z",
"structure_string": "S4 I8 N8\n1.0\n6.503482 -0.109371 0.051249\n2.963780 7.004213 2.135767\n-0.034549 0.149501 11.533528\nS I N\n4 8 8\ndirect\n0.759127 0.487393 0.375903 S\n0.240873 0.512606 0.624098 S\n0.756275 0.246232 0.115235 S\n0.243725 0.753767 0.884766 S\n0.724053 0.698595 0.688220 I\n0.275947 0.301405 0.311780 I\n0.633366 0.177141 0.794166 I\n0.149657 0.070633 0.620754 I\n0.876947 0.730926 0.054047 I\n0.366633 0.822859 0.205834 I\n0.123053 0.269074 0.945953 I\n0.850342 0.929366 0.379246 I\n0.006224 0.136814 0.106927 N\n-0.006224 0.863186 0.893074 N\n0.306312 0.388618 0.760320 N\n0.693687 0.611382 0.239680 N\n0.335430 0.834260 0.766431 N\n0.003201 0.350180 0.413378 N\n-0.003200 0.649819 0.586623 N\n0.664570 0.165740 0.233570 N\n",
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"elements": [
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"formula_full": "S4 I8 N8",
"formula_reduced": "S(IN)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 2
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{
"id": "jvasp-90164",
"created_at": "2022-09-04T14:35:58.880171Z",
"updated_at": "2022-09-04T14:35:58.880199Z",
"structure_string": "Si1 N2 F6\n1.0\n0.188218 0.108668 -4.858741\n-2.699459 -4.534718 0.210681\n-2.577453 4.464277 0.000000\nSi N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.689103 0.465659 0.732830 N\n0.310897 0.534340 0.267170 N\n0.259015 0.790427 0.895214 F\n0.172366 0.230266 0.884750 F\n0.172366 0.230267 0.345517 F\n0.740985 0.209572 0.104786 F\n0.827634 0.769733 0.115250 F\n0.827634 0.769733 0.654483 F\n",
"nsites": 9,
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"elements": [
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"volume_molar": 7.702075251649033,
"formula_full": "Si1 N2 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 12
},
{
"id": "jvasp-90339",
"created_at": "2022-09-04T14:38:14.836070Z",
"updated_at": "2022-09-04T14:38:14.836082Z",
"structure_string": "Si1 N2 F6\n1.0\n-3.682120 -3.682120 0.000000\n-3.682120 -0.000000 -3.682120\n0.000000 -3.682120 -3.682120\nSi N F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.767707 0.232293 0.232293 F\n0.767707 0.232293 0.767707 F\n0.767707 0.767707 0.232293 F\n0.232293 0.767707 0.767707 F\n0.232293 0.767707 0.232293 F\n0.232293 0.232293 0.767707 F\n",
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},
{
"id": "jvasp-14672",
"created_at": "2022-09-04T14:36:31.916812Z",
"updated_at": "2022-09-04T14:36:31.916843Z",
"structure_string": "Si4 Ni4\n1.0\n3.371982 -0.000000 0.000000\n-0.000000 5.209392 0.000000\n0.000000 0.000000 5.663501\nSi Ni\n4 4\ndirect\n0.750000 0.817904 0.582946 Si\n0.250000 0.182095 0.417054 Si\n0.750000 0.317905 0.917054 Si\n0.250000 0.682095 0.082946 Si\n0.250000 0.506773 0.690317 Ni\n0.750000 0.493226 0.309683 Ni\n0.250000 0.006774 0.809683 Ni\n0.750000 0.993226 0.190317 Ni\n",
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"formula_full": "Si4 Ni4",
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},
{
"id": "jvasp-90627",
"created_at": "2022-09-04T14:35:46.331693Z",
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"structure_string": "Si4 Ni4\n1.0\n4.539732 -0.000000 -0.000000\n-0.000000 4.539732 -0.000000\n0.000000 -0.000000 4.539732\nSi Ni\n4 4\ndirect\n0.654191 0.154191 0.345809 Si\n0.154191 0.345809 0.654191 Si\n0.345809 0.654191 0.154191 Si\n0.845809 0.845809 0.845809 Si\n0.351072 0.851072 0.648928 Ni\n0.851072 0.648928 0.351072 Ni\n0.648928 0.351072 0.851072 Ni\n0.148928 0.148928 0.148928 Ni\n",
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"spacegroup": 198
},
{
"id": "jvasp-37092",
"created_at": "2022-09-04T14:38:05.025199Z",
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