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{
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"results": [
{
"id": "jvasp-11038",
"created_at": "2022-09-04T14:37:15.646816Z",
"updated_at": "2022-09-04T14:37:15.646845Z",
"structure_string": "Mg2 V4 O8\n1.0\n2.909219 0.003793 0.004978\n1.444806 7.361639 -0.080396\n1.440116 1.459182 7.268615\nMg V O\n2 4 8\ndirect\n0.323947 0.206927 0.153664 Mg\n0.682367 0.825082 0.818773 Mg\n0.636296 0.565342 0.170515 V\n0.144906 0.202568 0.516128 V\n0.861402 0.829428 0.456308 V\n0.369999 0.466662 0.801917 V\n0.862395 0.615187 0.668600 O\n0.468814 0.751359 0.319486 O\n0.537491 0.280640 0.652950 O\n0.143907 0.416812 0.303833 O\n0.168983 0.688142 0.982440 O\n0.787455 0.097356 0.336225 O\n0.837327 0.343863 0.989992 O\n0.218872 0.934644 0.636214 O\n",
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{
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"created_at": "2022-09-04T14:37:15.702712Z",
"updated_at": "2022-09-04T14:37:15.702726Z",
"structure_string": "Li1 Cd2 Hg1\n1.0\n-11.817604 2.032418 -3.505817\n-8.078076 1.067683 0.340473\n-7.136524 3.730712 -1.290593\nLi Cd Hg\n1 2 1\ndirect\n0.000000 -0.000000 -0.000000 Li\n0.714719 0.023909 0.023887 Cd\n0.285281 -0.023910 -0.023885 Cd\n0.500000 -0.000001 0.000000 Hg\n",
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{
"id": "jvasp-80847",
"created_at": "2022-09-04T14:37:15.736359Z",
"updated_at": "2022-09-04T14:37:15.736377Z",
"structure_string": "Sc1 Ag2 Hg1\n1.0\n-11.339717 2.133556 -3.071962\n-7.817528 1.037381 0.539358\n-6.844295 3.785286 -1.146317\nSc Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 -0.000000 Sc\n0.732011 0.014037 0.013996 Ag\n0.267988 -0.014035 -0.013995 Ag\n0.500000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"density": 9.72873973918171,
"density_atomic": 0.050804324053079795,
"volume": 78.73345575508188,
"volume_molar": 11.85359882695838,
"formula_full": "Sc1 Ag2 Hg1",
"formula_reduced": "ScAg2Hg",
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"spacegroup": 12
},
{
"id": "jvasp-11543",
"created_at": "2022-09-04T14:37:15.749716Z",
"updated_at": "2022-09-04T14:37:15.749746Z",
"structure_string": "Mg2 Mn3 O8\n1.0\n4.635695 0.032620 -1.387337\n-0.838543 4.983768 -2.684757\n-0.011709 -0.139906 5.843014\nMg Mn O\n2 3 8\ndirect\n0.650236 0.722764 0.445526 Mg\n0.349762 0.277237 0.554472 Mg\n0.500000 0.999999 -0.000001 Mn\n0.999998 0.739298 -0.000001 Mn\n0.999998 0.260703 -0.000001 Mn\n0.071627 0.392604 0.785207 O\n0.928372 0.607395 0.214791 O\n0.091097 0.894772 0.789542 O\n0.908903 0.105227 0.210455 O\n0.398669 0.340312 0.226843 O\n0.398669 0.886531 0.226843 O\n0.601331 0.113467 0.773155 O\n0.601331 0.659687 0.773155 O\n",
"nsites": 13,
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"elements": [
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"Mn",
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],
"chemical_system": "Mg-Mn-O",
"density": 4.257317656481387,
"density_atomic": 0.09762076320338305,
"volume": 133.16839136891204,
"volume_molar": 6.168913827741211,
"formula_full": "Mg2 Mn3 O8",
"formula_reduced": "Mg2Mn3O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 12
},
{
"id": "jvasp-11209",
"created_at": "2022-09-04T14:37:15.840086Z",
"updated_at": "2022-09-04T14:37:15.840105Z",
"structure_string": "Zr2 Ag1 Pd1 F11\n1.0\n5.529572 0.020986 2.076626\n1.039794 5.430970 2.076626\n0.029196 0.024230 7.902308\nZr Ag Pd F\n2 1 1 11\ndirect\n0.493000 0.493001 0.236560 Zr\n0.506999 0.506999 0.763441 Zr\n0.000000 0.000000 0.000000 Ag\n0.000000 -0.000000 0.500000 Pd\n0.804121 0.233566 0.691474 F\n0.766435 0.195880 0.308527 F\n0.195879 0.766435 0.308527 F\n0.233565 0.804121 0.691474 F\n0.500000 0.500000 0.500001 F\n0.336084 0.663915 0.000001 F\n0.663915 0.336085 0.000000 F\n0.255264 0.255264 0.343709 F\n0.744735 0.744736 0.656292 F\n0.275394 0.275394 0.892096 F\n0.724605 0.724607 0.107905 F\n",
"nsites": 15,
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"elements": [
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"F"
],
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"density_atomic": 0.06340152102562618,
"volume": 236.58738398306198,
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"formula_full": "Zr2 Ag1 Pd1 F11",
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"formula_anonymous": "ABC2D11",
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{
"id": "jvasp-102252",
"created_at": "2022-09-04T14:37:15.948657Z",
"updated_at": "2022-09-04T14:37:15.948668Z",
"structure_string": "Li1 Al2 Fe1 O6\n1.0\n4.830658 -0.014447 0.832134\n-2.645558 4.041843 0.832134\n0.044518 0.082053 5.193070\nLi Al Fe O\n1 2 1 6\ndirect\n0.499999 0.499999 0.500000 Li\n0.669044 0.330955 -0.000000 Al\n0.330955 0.669044 -0.000000 Al\n0.000000 0.000000 0.000000 Fe\n0.918512 0.595279 0.201134 O\n0.743460 0.743459 0.800943 O\n0.404720 0.081487 0.798865 O\n0.595279 0.918511 0.201134 O\n0.256539 0.256539 0.199056 O\n0.081487 0.404719 0.798865 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 3.5139489663909584,
"density_atomic": 0.09946860250515269,
"volume": 100.53423641376664,
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"formula_full": "Li1 Al2 Fe1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 12
},
{
"id": "jvasp-11549",
"created_at": "2022-09-04T14:37:16.097240Z",
"updated_at": "2022-09-04T14:37:16.097274Z",
"structure_string": "V2 Zn4 N4\n1.0\n4.393352 -0.000000 1.765662\n1.567778 5.127102 2.447665\n0.267768 0.336978 5.682375\nV Zn N\n2 4 4\ndirect\n0.350037 0.171683 0.128245 V\n0.649964 0.828317 0.871755 V\n0.708736 0.241123 0.341406 Zn\n0.291265 0.758877 0.658594 Zn\n0.054588 0.690452 0.200371 Zn\n0.945412 0.309548 0.799628 Zn\n0.155359 0.265888 0.423395 N\n0.844642 0.734112 0.576604 N\n0.528858 0.194720 0.747562 N\n0.471142 0.805280 0.252437 N\n",
"nsites": 10,
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"elements": [
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"Zn",
"N"
],
"chemical_system": "N-V-Zn",
"density": 5.669462201505403,
"density_atomic": 0.0813791948882908,
"volume": 122.88153026983122,
"volume_molar": 7.400098720891243,
"formula_full": "V2 Zn4 N4",
"formula_reduced": "V(ZnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.4266342999999995,
"spacegroup": 12
},
{
"id": "jvasp-9726",
"created_at": "2022-09-04T14:37:16.132305Z",
"updated_at": "2022-09-04T14:37:16.132321Z",
"structure_string": "Mg2 As2 O7\n1.0\n4.782263 0.027925 -0.682564\n-0.989357 5.144778 -1.399654\n0.014520 -0.014530 5.422746\nMg As O\n2 2 7\ndirect\n0.499999 0.689736 0.310265 Mg\n0.499999 0.310263 0.689737 Mg\n0.099686 0.762896 0.762897 As\n0.900313 0.237103 0.237105 As\n0.291736 0.931080 0.599178 O\n0.708262 0.400823 0.068921 O\n0.708262 0.068919 0.400824 O\n0.291737 0.599176 0.931081 O\n0.000000 0.000000 0.000000 O\n0.772499 0.594080 0.594082 O\n0.227500 0.405919 0.405920 O\n",
"nsites": 11,
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"elements": [
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"density": 3.8611513737762575,
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"volume": 133.51268644583726,
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"formula_full": "Mg2 As2 O7",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 12
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{
"id": "jvasp-81645",
"created_at": "2022-09-04T14:37:16.200377Z",
"updated_at": "2022-09-04T14:37:16.200401Z",
"structure_string": "Y1 Sc1 Au2\n1.0\n-10.991133 3.450719 -0.710735\n-8.378647 1.777374 2.220629\n-7.179028 5.170411 0.142827\nY Sc Au\n1 1 2\ndirect\n0.499999 0.000001 0.000001 Y\n0.000000 0.000000 0.000000 Sc\n0.696541 0.043509 0.043508 Au\n0.303457 -0.043507 -0.043507 Au\n",
"nsites": 4,
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"formula_full": "Y1 Sc1 Au2",
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},
{
"id": "jvasp-81648",
"created_at": "2022-09-04T14:37:16.252093Z",
"updated_at": "2022-09-04T14:37:16.252118Z",
"structure_string": "Y2 Mg1 Tl1\n1.0\n-12.516620 3.202233 -2.024977\n-8.741980 1.904595 1.642436\n-7.690243 4.855183 -0.193668\nY Mg Tl\n2 1 1\ndirect\n0.758587 0.995452 0.995452 Y\n0.241404 0.004557 0.004551 Y\n-0.000006 0.000006 0.000013 Mg\n0.500018 -0.000014 -0.000019 Tl\n",
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"spacegroup": 12
},
{
"id": "jvasp-81758",
"created_at": "2022-09-04T14:37:16.257804Z",
"updated_at": "2022-09-04T14:37:16.257822Z",
"structure_string": "Sc2 Ti1 Tl1\n1.0\n-12.071485 2.385814 -3.072823\n-8.261059 1.311165 0.625838\n-7.321839 3.967923 -1.001081\nSc Ti Tl\n2 1 1\ndirect\n0.745819 0.005331 0.005328 Sc\n0.254174 0.994682 0.994677 Sc\n0.000003 0.999999 0.999994 Ti\n0.500005 0.999998 0.999992 Tl\n",
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},
{
"id": "jvasp-80998",
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"structure_string": "Na1 In2 Sn1\n1.0\n-12.007986 3.502923 -5.281526\n-7.529144 0.450169 0.047815\n-6.645390 4.928502 -3.516371\nNa In Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749154 0.002380 0.998397 In\n0.250847 -0.002380 0.001600 In\n0.500001 -0.000000 -0.000001 Sn\n",
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}
]
}