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{
"id": "jvasp-16794",
"created_at": "2022-09-04T14:38:31.847236Z",
"updated_at": "2022-09-04T14:38:31.847246Z",
"structure_string": "U2 Te1 O2\n1.0\n3.779804 -0.000000 -1.132584\n-0.339369 3.764539 -1.132584\n-0.033843 -0.037031 6.760570\nU Te O\n2 1 2\ndirect\n0.650109 0.650110 0.300221 U\n0.349890 0.349890 0.699780 U\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500001 O\n0.250000 0.750000 0.500001 O\n",
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{
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"structure_string": "Y1 P2 Pd2\n1.0\n3.836975 -0.005190 -4.286725\n-0.564246 3.795265 -4.286725\n0.004482 0.005190 5.753118\nY P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.389074 0.389074 0.000000 P\n0.610926 0.610925 0.000001 P\n0.750000 0.250000 0.500001 Pd\n0.249999 0.749999 0.500000 Pd\n",
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{
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"updated_at": "2022-09-04T14:38:34.014738Z",
"structure_string": "Cd8 P4 Cl8\n1.0\n0.000000 7.805580 -0.016001\n9.042126 0.000000 0.000000\n0.000000 -3.987420 -6.972719\nCd P Cl\n8 4 8\ndirect\n0.432873 0.423802 0.727337 Cd\n0.567127 0.923802 0.772663 Cd\n0.567127 0.576199 0.272662 Cd\n0.432873 0.076198 0.227337 Cd\n0.973212 0.296971 0.795238 Cd\n0.026788 0.796972 0.704762 Cd\n0.026788 0.703029 0.204762 Cd\n0.973212 0.203029 0.295238 Cd\n0.068213 0.391725 0.557590 P\n0.931787 0.608275 0.442410 P\n0.068213 0.108275 0.057590 P\n0.931787 0.891726 0.942410 P\n0.240380 0.033162 0.694285 Cl\n0.240380 0.466839 0.194285 Cl\n0.759620 0.533162 0.805715 Cl\n0.759620 0.966839 0.305715 Cl\n0.580642 0.199071 0.575032 Cl\n0.419358 0.699071 0.924968 Cl\n0.419358 0.800929 0.424968 Cl\n0.580642 0.300929 0.075032 Cl\n",
"nsites": 20,
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"elements": [
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"density": 4.404269149003444,
"density_atomic": 0.04059226464990717,
"volume": 492.7047104292501,
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"formula_full": "Cd8 P4 Cl8",
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"formula_anonymous": "AB2C2",
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"spacegroup": 14
},
{
"id": "jvasp-16733",
"created_at": "2022-09-04T14:38:31.510993Z",
"updated_at": "2022-09-04T14:38:31.511019Z",
"structure_string": "K1 P2 Rh2\n1.0\n3.781955 0.000000 -1.083716\n-0.310538 3.769185 -1.083716\n-0.024797 -0.026924 7.054463\nK P Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.650623 0.650623 0.301245 P\n0.349377 0.349377 0.698753 P\n0.750000 0.250000 0.499999 Rh\n0.249999 0.750000 0.499999 Rh\n",
"nsites": 5,
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"elements": [
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"P",
"Rh"
],
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"density": 5.078217555823019,
"density_atomic": 0.04983063525033058,
"volume": 100.33988077578901,
"volume_molar": 12.085217717468389,
"formula_full": "K1 P2 Rh2",
"formula_reduced": "K(PRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.1530510000000005,
"spacegroup": 139
},
{
"id": "jvasp-111003",
"created_at": "2022-09-04T14:38:36.539069Z",
"updated_at": "2022-09-04T14:38:36.539088Z",
"structure_string": "Sr1 Si2 Pt2\n1.0\n4.040378 -0.024372 -4.373411\n-0.636114 3.990064 -4.373411\n0.020921 0.024372 5.954069\nSr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250001 0.749999 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.640188 0.640187 0.000001 Pt\n0.359813 0.359812 0.000000 Pt\n",
"nsites": 5,
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"elements": [
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],
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"volume": 96.76118909732489,
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"formula_full": "Sr1 Si2 Pt2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-100533",
"created_at": "2022-09-04T14:38:40.093615Z",
"updated_at": "2022-09-04T14:38:40.093632Z",
"structure_string": "Nd4 Cd2 Au4\n1.0\n3.882623 0.000000 0.000000\n-0.000000 8.097714 -0.000000\n-0.000000 0.000000 8.097714\nNd Cd Au\n4 2 4\ndirect\n0.500000 0.171462 0.671462 Nd\n0.500000 0.828537 0.328538 Nd\n0.500000 0.328538 0.171462 Nd\n0.500000 0.671462 0.828537 Nd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.628459 0.128459 Au\n0.000000 0.371540 0.871540 Au\n0.000000 0.871540 0.628459 Au\n0.000000 0.128459 0.371540 Au\n",
"nsites": 10,
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"elements": [
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"density": 10.368173009987574,
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"formula_full": "Nd4 Cd2 Au4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
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{
"id": "jvasp-17661",
"created_at": "2022-09-04T14:38:31.195123Z",
"updated_at": "2022-09-04T14:38:31.195148Z",
"structure_string": "Np1 Si2 Rh2\n1.0\n3.798353 0.000000 -1.387143\n-0.506578 3.764421 -1.387143\n-0.024923 -0.028502 5.825757\nNp Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.619782 0.619783 0.239565 Si\n0.380218 0.380218 0.760437 Si\n0.250000 0.750000 0.500001 Rh\n0.750000 0.250000 0.500001 Rh\n",
"nsites": 5,
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"elements": [
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"density": 9.982901954332593,
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"volume": 82.99982393101602,
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"formula_full": "Np1 Si2 Rh2",
"formula_reduced": "Np(SiRh)2",
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},
{
"id": "jvasp-106385",
"created_at": "2022-09-04T14:38:40.022406Z",
"updated_at": "2022-09-04T14:38:40.022424Z",
"structure_string": "Sr2 Sn1 N2\n1.0\n3.692896 0.000000 -0.994204\n-0.267679 3.683023 -0.994273\n0.007393 0.008229 7.383052\nSr Sn N\n2 1 2\ndirect\n0.839949 0.839948 0.179899 Sr\n0.160051 0.160052 0.820102 Sr\n0.500000 0.500000 0.500000 Sn\n0.346756 0.346756 0.193514 N\n0.653244 0.653244 0.806487 N\n",
"nsites": 5,
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"formula_full": "Sr2 Sn1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-110476",
"created_at": "2022-09-04T14:38:38.705216Z",
"updated_at": "2022-09-04T14:38:38.705245Z",
"structure_string": "Th1 Ni2 H2\n1.0\n4.322604 0.000000 0.000000\n-2.161302 3.743485 -0.000000\n-0.000000 0.000000 3.570787\nTh Ni H\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.333333 0.666668 0.500000 Ni\n0.666667 0.333333 0.500000 Ni\n0.666667 0.333333 0.000000 H\n0.333333 0.666668 0.000000 H\n",
"nsites": 5,
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"formula_full": "Th1 Ni2 H2",
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"spacegroup": 191
},
{
"id": "jvasp-116348",
"created_at": "2022-09-04T14:38:42.094292Z",
"updated_at": "2022-09-04T14:38:42.094324Z",
"structure_string": "Ti2 Zn1 N2\n1.0\n3.116180 0.000000 0.000000\n0.000000 3.116180 0.000000\n-0.000000 0.000000 7.628047\nTi Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.187565 Ti\n0.500000 0.500000 0.812435 Ti\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.670332 N\n0.500000 0.000000 0.329668 N\n",
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},
{
"id": "jvasp-17382",
"created_at": "2022-09-04T14:38:31.165329Z",
"updated_at": "2022-09-04T14:38:31.165350Z",
"structure_string": "Ca1 Ge2 Pd2\n1.0\n4.044457 0.000000 -1.608555\n-0.639752 3.993539 -1.608555\n0.017037 0.019983 5.931689\nCa Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.375495 0.375494 0.750990 Ge\n0.624507 0.624506 0.249012 Ge\n0.250001 0.750000 0.500001 Pd\n0.750001 0.250000 0.500001 Pd\n",
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"formula_full": "Ca1 Ge2 Pd2",
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},
{
"id": "jvasp-56374",
"created_at": "2022-09-04T14:38:33.406870Z",
"updated_at": "2022-09-04T14:38:33.406896Z",
"structure_string": "Nd1 Ni2 P2\n1.0\n3.706712 -0.000000 -1.425633\n-0.548311 3.665934 -1.425633\n0.007223 0.008384 5.550410\nNd Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.249999 0.500000 Ni\n0.249999 0.749999 0.500000 Ni\n0.371486 0.371485 0.742973 P\n0.628513 0.628512 0.257027 P\n",
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}
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