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"results": [
{
"id": "jvasp-112226",
"created_at": "2022-09-04T14:38:47.094355Z",
"updated_at": "2022-09-04T14:38:47.094383Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.458785 0.009547 1.047205\n1.988753 5.688275 1.486717\n0.022947 0.106359 9.908167\nSn H C Cl\n2 8 4 4\ndirect\n0.986089 0.787787 0.268011 Sn\n0.015504 0.287552 0.767954 Sn\n0.644504 0.600999 0.585535 H\n0.775838 0.973836 0.950362 H\n0.225761 0.101490 0.085595 H\n0.357100 0.474298 0.450412 H\n0.127164 0.735853 0.523786 H\n0.670392 0.235604 0.023624 H\n0.331192 0.839719 0.012339 H\n0.874473 0.339435 0.512177 H\n0.883332 0.478754 0.559098 C\n0.118273 0.596550 0.476858 C\n0.865655 0.096350 0.976802 C\n0.135939 0.978978 0.059159 C\n0.213723 0.554205 0.837710 Cl\n0.549920 0.020991 0.698243 Cl\n0.451664 0.054331 0.337721 Cl\n0.787883 0.521131 0.198245 Cl\n",
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{
"id": "jvasp-48548",
"created_at": "2022-09-04T14:37:02.696048Z",
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"structure_string": "Li3 V1 O3 F2\n1.0\n-3.551133 0.072439 0.532298\n1.604404 4.840224 -1.377210\n0.946268 -1.172596 -5.119167\nLi V O F\n3 1 3 2\ndirect\n0.168167 0.779900 0.533755 Li\n0.666024 0.442957 0.903449 Li\n0.819317 0.249442 0.405506 Li\n-0.008923 0.009309 -0.030441 V\n0.054927 0.306785 0.805769 O\n0.530669 0.006039 0.054180 O\n0.758297 0.782408 0.718568 O\n0.247439 0.123743 0.380546 F\n0.910344 0.585683 0.234924 F\n",
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"density_atomic": 0.09913470508943119,
"volume": 90.78556285491483,
"volume_molar": 6.074704872090273,
"formula_full": "Li3 V1 O3 F2",
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"formula_anonymous": "AB2C3D3",
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"spacegroup": 8
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{
"id": "jvasp-42838",
"created_at": "2022-09-04T14:36:15.731594Z",
"updated_at": "2022-09-04T14:36:15.731620Z",
"structure_string": "Na8 Mn2 O8\n1.0\n5.607796 -0.001814 0.023008\n2.159542 5.414326 0.042317\n2.827471 0.700783 8.009434\nNa Mn O\n8 2 8\ndirect\n0.641614 0.002216 0.819506 Na\n0.115117 0.505323 0.869549 Na\n0.676386 0.552920 0.685485 Na\n0.202901 0.049763 0.635445 Na\n0.741000 0.043030 0.422463 Na\n0.924233 0.530144 0.276001 Na\n0.393793 0.024949 0.228974 Na\n0.577012 0.512084 0.082535 Na\n0.007430 0.996456 0.005129 Mn\n0.310565 0.558657 0.499853 Mn\n0.862009 0.251295 0.870579 O\n0.322107 0.784175 0.900780 O\n-0.004099 0.770951 0.604202 O\n0.455963 0.303820 0.634411 O\n0.513469 0.757247 0.450678 O\n0.319820 0.383432 0.345619 O\n0.804552 0.797843 0.054301 O\n-0.001826 0.171680 0.159364 O\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.07415543811826823,
"volume": 242.733378114392,
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"formula_full": "Na8 Mn2 O8",
"formula_reduced": "Na4MnO4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-3084",
"created_at": "2022-09-04T14:37:02.142517Z",
"updated_at": "2022-09-04T14:37:02.142547Z",
"structure_string": "Na3 Sb1 S4\n1.0\n5.846671 -0.000000 -2.067111\n-2.923335 5.063366 -2.067111\n0.000000 0.000000 6.201332\nNa Sb S\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Na\n-0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.616782 S\n0.383218 0.383219 0.383218 S\n0.616782 0.000000 0.000000 S\n-0.000000 0.616782 0.000000 S\n",
"nsites": 8,
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"elements": [
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"density": 2.8853085569537797,
"density_atomic": 0.043576969747784064,
"volume": 183.5832102668591,
"volume_molar": 13.819549167496284,
"formula_full": "Na3 Sb1 S4",
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"spacegroup": 217
},
{
"id": "jvasp-44778",
"created_at": "2022-09-04T14:38:12.340418Z",
"updated_at": "2022-09-04T14:38:12.340450Z",
"structure_string": "Na12 Ni4 O8\n1.0\n0.000000 5.468900 -0.001220\n6.270475 0.000000 0.000000\n0.000000 -0.002398 -10.718765\nNa Ni O\n12 4 8\ndirect\n0.790949 0.500000 0.084257 Na\n0.629973 0.748544 0.856405 Na\n0.629973 0.251457 0.856405 Na\n0.129974 0.248540 0.643596 Na\n0.129974 0.751460 0.643596 Na\n0.709052 0.500000 0.584261 Na\n0.209051 0.000000 0.915744 Na\n0.870027 0.748543 0.356405 Na\n0.870027 0.251458 0.356405 Na\n0.370026 0.751460 0.143595 Na\n0.370026 0.248541 0.143595 Na\n0.290948 0.000000 0.415739 Na\n0.646985 0.000000 0.616079 Ni\n0.146987 0.500000 0.883922 Ni\n0.853011 0.000000 0.116079 Ni\n0.353014 0.500000 0.383922 Ni\n0.904406 0.500000 0.773497 O\n0.594351 0.000000 0.017652 O\n0.095597 0.000000 0.226506 O\n0.595598 0.500000 0.273495 O\n0.094353 0.500000 0.482348 O\n0.905649 0.000000 0.517652 O\n0.404401 0.000000 0.726506 O\n0.405645 0.500000 0.982348 O\n",
"nsites": 24,
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"density": 2.885121592646335,
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"volume": 367.5743467815524,
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"formula_full": "Na12 Ni4 O8",
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},
{
"id": "jvasp-79223",
"created_at": "2022-09-04T14:37:15.740705Z",
"updated_at": "2022-09-04T14:37:15.740742Z",
"structure_string": "Mg2 Ga2\n1.0\n4.793878 0.000000 0.000000\n-2.396939 4.151619 -0.000000\n0.000000 -0.000000 5.438551\nMg Ga\n2 2\ndirect\n0.666667 0.333333 0.562491 Mg\n0.333333 0.666667 0.062490 Mg\n0.666667 0.333333 0.062510 Ga\n0.333333 0.666667 0.562510 Ga\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.885018603898912,
"density_atomic": 0.036954924349985145,
"volume": 108.2399726249638,
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"formula_full": "Mg2 Ga2",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.3855755,
"spacegroup": 194
},
{
"id": "jvasp-109835",
"created_at": "2022-09-04T14:38:09.183743Z",
"updated_at": "2022-09-04T14:38:09.183767Z",
"structure_string": "Na2 Sm1 Cu1 Cl6\n1.0\n6.298724 -0.000000 3.636570\n2.099575 5.938494 3.636570\n-0.000000 -0.000000 7.273140\nNa Sm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500000 0.500000 Cu\n0.741279 0.258720 0.258720 Cl\n0.258720 0.258720 0.741280 Cl\n0.258719 0.741280 0.741281 Cl\n0.258719 0.741280 0.258720 Cl\n0.741279 0.258720 0.741280 Cl\n0.741279 0.741280 0.258721 Cl\n",
"nsites": 10,
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"elements": [
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"Cu",
"Cl"
],
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"density": 2.8846638923325263,
"density_atomic": 0.03675776966006324,
"volume": 272.0513266305395,
"volume_molar": 16.383313829138455,
"formula_full": "Na2 Sm1 Cu1 Cl6",
"formula_reduced": "Na2SmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107629",
"created_at": "2022-09-04T14:36:53.517151Z",
"updated_at": "2022-09-04T14:36:53.517170Z",
"structure_string": "Rb2 Na1 Ce1 Cl6\n1.0\n6.612371 -0.000000 3.817654\n2.204124 6.234203 3.817654\n-0.000000 -0.000000 7.635308\nRb Na Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.747674 0.252326 0.252326 Cl\n0.252326 0.252326 0.747674 Cl\n0.252326 0.747674 0.747674 Cl\n0.252326 0.747674 0.252326 Cl\n0.747674 0.252326 0.747674 Cl\n0.747674 0.747674 0.252325 Cl\n",
"nsites": 10,
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"density_atomic": 0.03177132206095697,
"volume": 314.7492566036074,
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"formula_full": "Rb2 Na1 Ce1 Cl6",
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},
{
"id": "jvasp-80157",
"created_at": "2022-09-04T14:37:15.352398Z",
"updated_at": "2022-09-04T14:37:15.352407Z",
"structure_string": "Li1 Mg2 In1\n1.0\n-10.586133 0.000001 -6.111906\n-6.672695 -1.210444 -0.666366\n-5.182335 3.004933 -3.247747\nLi Mg In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.744460 -0.000001 -0.000001 Mg\n0.255542 -0.000000 -0.000000 Mg\n0.500001 -0.000001 -0.000001 In\n",
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{
"id": "jvasp-69960",
"created_at": "2022-09-04T14:36:18.035278Z",
"updated_at": "2022-09-04T14:36:18.035291Z",
"structure_string": "K1 Be2 Cr1\n1.0\n2.957385 0.000000 0.000000\n0.000000 2.957385 0.000000\n-0.000000 0.000000 7.182253\nK Be Cr\n1 2 1\ndirect\n0.500001 0.500001 0.500000 K\n0.000000 0.000000 0.857891 Be\n0.000000 0.000000 0.142109 Be\n0.500001 0.500001 0.000000 Cr\n",
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{
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"created_at": "2022-09-04T14:36:03.427365Z",
"updated_at": "2022-09-04T14:36:03.427392Z",
"structure_string": "Ba1 Si1 Cl1\n1.0\n0.000000 3.866860 3.866860\n3.866860 -0.000000 3.866860\n3.866860 3.866860 -0.000000\nBa Si Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Cl\n",
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"formula_full": "Ba1 Si1 Cl1",
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{
"id": "jvasp-79123",
"created_at": "2022-09-04T14:37:11.063201Z",
"updated_at": "2022-09-04T14:37:11.063232Z",
"structure_string": "K3 Hg1\n1.0\n-0.000000 4.506388 4.506388\n4.506388 0.000000 4.506388\n4.506388 4.506388 -0.000000\nK Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.499999 0.499999 K\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Hg\n",
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}