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{
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"results": [
{
"id": "jvasp-7829",
"created_at": "2022-09-04T14:37:07.121765Z",
"updated_at": "2022-09-04T14:37:07.121785Z",
"structure_string": "Dy1 Sb1 Pt1\n1.0\n4.046652 -0.000000 2.336336\n1.348884 3.815221 2.336336\n0.000000 -0.000000 4.672672\nDy Sb Pt\n1 1 1\ndirect\n0.499999 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250001 Pt\n",
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{
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"structure_string": "Tm5 Mg24\n1.0\n9.122518 0.000000 -3.225297\n-4.561259 7.900333 -3.225297\n-0.000000 -0.000000 9.675892\nTm Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Tm\n0.371741 -0.000000 -0.000000 Tm\n-0.000000 0.371740 -0.000000 Tm\n0.000000 0.000000 0.371741 Tm\n0.628259 0.628259 0.628259 Tm\n0.809415 0.000000 0.628957 Mg\n0.190585 0.819541 0.190584 Mg\n0.819541 0.190585 0.190585 Mg\n-0.000000 0.809415 0.628957 Mg\n0.809415 0.628957 -0.000001 Mg\n0.628957 0.809415 -0.000001 Mg\n0.371043 0.371043 0.180458 Mg\n0.677786 0.677786 0.288449 Mg\n0.389338 0.711551 0.389337 Mg\n0.190585 0.190585 0.819541 Mg\n0.610662 0.000000 0.322214 Mg\n0.322214 0.000000 0.610662 Mg\n0.677786 0.288449 0.677785 Mg\n0.288449 0.677786 0.677785 Mg\n-0.000000 0.322214 0.610662 Mg\n0.322214 0.610662 -0.000000 Mg\n0.610662 0.322214 -0.000000 Mg\n0.389338 0.389338 0.711550 Mg\n0.628957 0.000000 0.809415 Mg\n-0.000000 0.628957 0.809414 Mg\n0.180459 0.371043 0.371042 Mg\n0.371043 0.180459 0.371043 Mg\n-0.000000 0.610662 0.322214 Mg\n0.711551 0.389338 0.389337 Mg\n",
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{
"id": "jvasp-8785",
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"updated_at": "2022-09-04T14:37:03.271189Z",
"structure_string": "Er2 Ag2 Se4\n1.0\n7.994776 0.000243 0.000273\n7.995017 7.222507 0.210911\n3.997670 4.914264 3.475108\nEr Ag Se\n2 2 4\ndirect\n0.249966 0.000043 0.499954 Er\n0.000035 0.499956 0.500046 Er\n0.750040 -0.000020 0.500005 Ag\n0.499961 0.500019 0.499994 Ag\n0.014420 -0.000002 0.971148 Se\n0.485596 0.999958 0.028892 Se\n0.235581 0.500001 0.028852 Se\n0.764405 0.500043 0.971107 Se\n",
"nsites": 8,
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"volume": 192.37075073599505,
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"formula_full": "Er2 Ag2 Se4",
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"formula_anonymous": "ABC2",
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"spacegroup": 141
},
{
"id": "jvasp-118028",
"created_at": "2022-09-04T14:38:30.636814Z",
"updated_at": "2022-09-04T14:38:30.636839Z",
"structure_string": "H1 N1 Cl1\n1.0\n3.505512 1.116637 0.000000\n1.953301 6.224372 0.000000\n0.000000 0.000000 3.673344\nH N Cl\n1 1 1\ndirect\n0.138213 -0.002562 0.000000 H\n0.037485 0.359589 0.000000 N\n0.024076 -0.157129 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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{
"id": "jvasp-18213",
"created_at": "2022-09-04T14:38:11.341604Z",
"updated_at": "2022-09-04T14:38:11.341625Z",
"structure_string": "Mn1 Cu2 Sn1 Se4\n1.0\n5.282240 -0.000000 -2.374153\n-1.067085 5.173335 -2.374153\n-0.007097 -0.008710 7.047501\nMn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250001 0.750001 0.500001 Cu\n0.750000 0.250000 0.500000 Cu\n0.500001 0.500000 0.000001 Sn\n0.374395 0.374395 0.270970 Se\n0.625605 0.103425 0.729030 Se\n0.103425 0.625606 0.729031 Se\n0.896576 0.896576 0.270971 Se\n",
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{
"id": "jvasp-59670",
"created_at": "2022-09-04T14:37:45.288494Z",
"updated_at": "2022-09-04T14:37:45.288505Z",
"structure_string": "K4 Cd2 C8 N8\n1.0\n7.861759 0.000000 4.538988\n2.620586 7.412137 4.538988\n0.000000 0.000000 9.077976\nK Cd C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875000 0.875000 Cd\n0.775456 0.775456 0.173632 C\n0.224545 0.826369 0.224544 C\n0.173632 0.775456 0.775456 C\n0.775456 0.173632 0.775456 C\n0.826369 0.224544 0.224544 C\n0.224544 0.224544 0.826369 C\n0.775456 0.775456 0.775456 C\n0.224544 0.224544 0.224544 C\n0.331400 0.722867 0.722867 N\n0.722867 0.331399 0.722867 N\n0.722867 0.722867 0.722867 N\n0.277133 0.668601 0.277133 N\n0.277133 0.277133 0.668601 N\n0.277133 0.277133 0.277133 N\n0.722867 0.722867 0.331399 N\n0.668601 0.277133 0.277133 N\n",
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"elements": [
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"density_atomic": 0.04158823469852342,
"volume": 528.9957642943932,
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"formula_full": "K4 Cd2 C8 N8",
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{
"id": "jvasp-21710",
"created_at": "2022-09-04T14:38:31.164085Z",
"updated_at": "2022-09-04T14:38:31.164114Z",
"structure_string": "Cu4 Sn2 Se6\n1.0\n7.003576 -0.017716 -1.178055\n-1.783974 5.849328 -3.520639\n-0.019661 -0.006332 7.056322\nCu Sn Se\n4 2 6\ndirect\n0.381145 0.383543 0.888099 Cu\n0.881146 0.888100 0.383542 Cu\n0.879677 0.200443 0.037529 Cu\n0.379676 0.037530 0.200443 Cu\n0.896695 0.550617 0.733939 Sn\n0.396695 0.733940 0.550617 Sn\n0.994426 0.582921 0.396075 Se\n0.519679 0.761441 0.235725 Se\n0.018383 0.949051 0.118612 Se\n0.494425 0.396076 0.582920 Se\n0.518383 0.118612 0.949050 Se\n0.019678 0.235726 0.761441 Se\n",
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"volume": 288.5416343285852,
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"formula_full": "Cu4 Sn2 Se6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 9
},
{
"id": "jvasp-69074",
"created_at": "2022-09-04T14:36:13.889245Z",
"updated_at": "2022-09-04T14:36:13.889262Z",
"structure_string": "Ba1 Ge1 P2\n1.0\n4.751953 -0.000000 0.000000\n-0.000000 4.751953 -0.000000\n0.000000 -0.000000 4.259217\nBa Ge P\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ge\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n",
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{
"id": "jvasp-104942",
"created_at": "2022-09-04T14:36:57.447641Z",
"updated_at": "2022-09-04T14:36:57.447667Z",
"structure_string": "Na1 Pr1 S2\n1.0\n4.132284 -0.000000 0.000000\n0.000000 4.132284 0.000000\n0.000000 -0.000000 5.632310\nNa Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.500000 Pr\n0.000000 0.000000 0.500000 S\n0.499999 0.499999 -0.000000 S\n",
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{
"id": "jvasp-14260",
"created_at": "2022-09-04T14:35:55.870484Z",
"updated_at": "2022-09-04T14:35:55.870509Z",
"structure_string": "Rb1 V1 P2 S7\n1.0\n6.437347 0.016355 -0.608220\n-0.746002 6.393995 -0.608220\n0.003396 0.003825 6.422323\nRb V P S\n1 1 2 7\ndirect\n0.109980 0.890022 0.500000 Rb\n0.499952 0.500050 0.000000 V\n0.051537 0.345378 0.083359 P\n0.654624 0.948465 0.916641 P\n0.989779 0.010222 0.000000 S\n0.547143 0.186505 0.769502 S\n0.315131 0.369529 0.287077 S\n0.630472 0.684871 0.712923 S\n0.524638 0.856845 0.175264 S\n0.143157 0.475364 0.824736 S\n0.813497 0.452859 0.230497 S\n",
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{
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"created_at": "2022-09-04T14:38:52.031824Z",
"updated_at": "2022-09-04T14:38:52.031855Z",
"structure_string": "Be1 Tl1 Cl1\n1.0\n5.169917 0.000000 0.000000\n-2.584958 4.477279 -0.000000\n0.000000 -0.000000 3.115813\nBe Tl Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666666 0.333333 0.000000 Tl\n0.333332 0.666666 0.000000 Cl\n",
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{
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"structure_string": "Ca8 Sn4 S16\n1.0\n6.837899 0.000000 0.000000\n0.000000 7.388111 0.000000\n0.000000 0.000000 13.324179\nCa Sn S\n8 4 16\ndirect\n0.492931 0.897648 0.855655 Ca\n0.992932 0.602352 0.144345 Ca\n0.507069 0.397648 0.644345 Ca\n0.007069 0.102352 0.355655 Ca\n0.507060 0.102350 0.144343 Ca\n0.007060 0.397650 0.855657 Ca\n0.492940 0.602350 0.355657 Ca\n0.992940 0.897650 0.644343 Ca\n-0.000010 -0.000001 -0.000002 Sn\n0.499990 0.500001 0.000002 Sn\n0.000010 0.499999 0.500002 Sn\n0.500010 0.000001 0.499998 Sn\n0.875033 0.542400 0.674873 S\n0.375033 0.957600 0.325127 S\n0.875026 0.957603 0.174874 S\n0.375026 0.542397 0.825126 S\n0.124974 0.457603 0.325126 S\n0.624974 0.042397 0.674874 S\n0.814244 0.694577 0.944902 S\n0.814255 0.805423 0.444901 S\n0.185756 0.194577 0.555098 S\n0.685756 0.305422 0.444902 S\n0.185745 0.305423 0.055099 S\n0.685745 0.194577 0.944901 S\n0.624967 0.457600 0.174873 S\n0.314255 0.694577 0.555099 S\n0.314244 0.805422 0.055098 S\n0.124967 0.042400 0.825127 S\n",
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}