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{
"id": "jvasp-91954",
"created_at": "2022-09-04T14:35:56.305731Z",
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{
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"structure_string": "K2 Ca2 Bi2\n1.0\n5.359639 0.000000 0.000000\n-0.000000 5.359639 0.000000\n-0.000000 0.000000 8.410810\nK Ca Bi\n2 2 2\ndirect\n0.250000 0.250000 0.864328 K\n0.750000 0.750000 0.135672 K\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.250000 0.250000 0.288755 Bi\n0.750000 0.750000 0.711245 Bi\n",
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"structure_string": "Na2 Tm1 Ag1 Cl6\n1.0\n6.401141 -0.000000 3.695700\n2.133714 6.035053 3.695700\n-0.000000 -0.000000 7.391401\nNa Tm Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Ag\n0.754424 0.245575 0.245576 Cl\n0.245575 0.245575 0.754425 Cl\n0.245575 0.754424 0.754425 Cl\n0.245575 0.754424 0.245576 Cl\n0.754424 0.245575 0.754425 Cl\n0.754424 0.754424 0.245576 Cl\n",
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"volume": 285.5388765410443,
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"formula_full": "Na2 Tm1 Ag1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-64699",
"created_at": "2022-09-04T14:36:07.310453Z",
"updated_at": "2022-09-04T14:36:07.310481Z",
"structure_string": "Ba4 Ga1 Br1\n1.0\n0.000000 5.054454 5.054454\n5.054454 0.000000 5.054454\n5.054454 5.054454 -0.000000\nBa Ga Br\n4 1 1\ndirect\n0.124169 0.625277 0.625277 Ba\n0.625277 0.625277 0.625277 Ba\n0.625277 0.124169 0.625277 Ba\n0.625277 0.625277 0.124169 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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"formula_full": "Ba4 Ga1 Br1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-14973",
"created_at": "2022-09-04T14:36:07.600955Z",
"updated_at": "2022-09-04T14:36:07.600978Z",
"structure_string": "In1 Te1\n1.0\n3.851023 -0.000000 2.223388\n1.283674 3.630779 2.223388\n-0.000000 -0.000000 4.446778\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.499999 0.500000 0.500001 Te\n",
"nsites": 2,
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"elements": [
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"volume": 62.17579910258691,
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"spacegroup": 225
},
{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
"updated_at": "2022-09-04T14:35:57.343828Z",
"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
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{
"id": "jvasp-90887",
"created_at": "2022-09-04T14:35:57.336055Z",
"updated_at": "2022-09-04T14:35:57.336088Z",
"structure_string": "Ca2 In4 Ni2\n1.0\n4.320802 0.000000 0.000000\n-2.160401 5.239800 -0.000000\n0.000000 0.000000 7.626813\nCa In Ni\n2 4 2\ndirect\n0.438160 0.876318 0.250000 Ca\n0.561840 0.123682 0.750000 Ca\n0.148313 0.296626 0.448407 In\n0.851687 0.703374 0.551593 In\n0.148313 0.296626 0.051593 In\n0.851687 0.703374 0.948406 In\n0.718332 0.436663 0.250000 Ni\n0.281668 0.563337 0.750000 Ni\n",
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"spacegroup": 63
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{
"id": "jvasp-90872",
"created_at": "2022-09-04T14:36:07.529610Z",
"updated_at": "2022-09-04T14:36:07.529633Z",
"structure_string": "Sr2 Hg6\n1.0\n0.000000 0.000000 -5.295079\n-3.461805 -5.998128 0.000000\n-3.461805 5.998128 -0.000000\nSr Hg\n2 6\ndirect\n0.750000 0.666711 0.333290 Sr\n0.250000 0.333290 0.666711 Sr\n0.750000 0.159424 0.318683 Hg\n0.750000 0.159398 0.840604 Hg\n0.750000 0.681318 0.840577 Hg\n0.250000 0.840577 0.681318 Hg\n0.250000 0.840604 0.159398 Hg\n0.250000 0.318683 0.159424 Hg\n",
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"formula_full": "Sr2 Hg6",
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},
{
"id": "jvasp-64544",
"created_at": "2022-09-04T14:35:56.793681Z",
"updated_at": "2022-09-04T14:35:56.793708Z",
"structure_string": "Ba4 Zn1 Te1\n1.0\n-0.000000 5.043025 5.043025\n5.043025 0.000000 5.043025\n5.043025 5.043025 0.000000\nBa Zn Te\n4 1 1\ndirect\n0.128550 0.623817 0.623817 Ba\n0.623817 0.623817 0.623817 Ba\n0.623817 0.128550 0.623817 Ba\n0.623817 0.623817 0.128550 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Te\n",
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],
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"volume": 256.5094438102613,
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},
{
"id": "jvasp-65235",
"created_at": "2022-09-04T14:36:04.308370Z",
"updated_at": "2022-09-04T14:36:04.308392Z",
"structure_string": "Be1 In1 Ga4\n1.0\n-0.000000 3.915913 3.915913\n3.915913 -0.000000 3.915913\n3.915913 3.915913 0.000000\nBe In Ga\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 In\n0.122931 0.625690 0.625690 Ga\n0.625690 0.625690 0.625690 Ga\n0.625690 0.122931 0.625690 Ga\n0.625690 0.625690 0.122931 Ga\n",
"nsites": 6,
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{
"id": "jvasp-22529",
"created_at": "2022-09-04T14:36:07.443937Z",
"updated_at": "2022-09-04T14:36:07.443962Z",
"structure_string": "Ca2 Cl2 F2\n1.0\n3.882969 0.000000 -0.000000\n-0.000000 3.882969 -0.000000\n-0.000000 -0.000000 6.813180\nCa Cl F\n2 2 2\ndirect\n0.750000 0.750000 0.803310 Ca\n0.250000 0.250000 0.196690 Ca\n0.250000 0.250000 0.643550 Cl\n0.750000 0.750000 0.356450 Cl\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
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{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
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