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{
"id": "jvasp-18323",
"created_at": "2022-09-04T14:38:10.242878Z",
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"structure_string": "La1 Bi1\n1.0\n4.064675 0.000000 2.346741\n1.354892 3.832212 2.346741\n0.000000 0.000000 4.693483\nLa Bi\n1 1\ndirect\n0.500001 0.500000 0.499999 La\n0.000000 0.000000 0.000000 Bi\n",
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"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
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"structure_string": "Be2 Zn1 Pt1\n1.0\n-8.972902 0.000000 -5.180508\n-5.643039 -0.984773 -0.586985\n-4.407754 2.509141 -2.726561\nBe Zn Pt\n2 1 1\ndirect\n0.722632 -0.000001 -0.000000 Be\n0.277369 -0.000000 -0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000001 -0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:36:31.541627Z",
"updated_at": "2022-09-04T14:36:31.541656Z",
"structure_string": "Nb2 Ni2 B2\n1.0\n3.079449 0.000000 -0.000000\n-0.000000 3.221218 -0.782672\n0.000000 -0.031855 6.888965\nNb Ni B\n2 2 2\ndirect\n0.250000 0.900912 0.801820 Nb\n0.750000 0.099091 0.198180 Nb\n0.750000 0.295092 0.590182 Ni\n0.250000 0.704910 0.409818 Ni\n0.250000 0.533616 0.067231 B\n0.750000 0.466386 0.932769 B\n",
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{
"id": "jvasp-23481",
"created_at": "2022-09-04T14:37:33.480896Z",
"updated_at": "2022-09-04T14:37:33.480923Z",
"structure_string": "Zr4 In8\n1.0\n4.364946 -0.000000 -0.694081\n-0.110367 4.363550 -0.694081\n0.013295 0.013636 14.155818\nZr In\n4 8\ndirect\n0.701932 0.951934 0.903867 Zr\n0.451933 0.201933 0.403866 Zr\n0.298068 0.048067 0.096134 Zr\n0.548067 0.798068 0.596134 Zr\n0.875570 0.125570 0.251139 In\n0.625569 0.375570 0.751139 In\n0.124429 0.874431 0.748861 In\n0.374430 0.624431 0.248861 In\n0.036786 0.286788 0.573574 In\n0.786787 0.536787 0.073574 In\n0.963213 0.713213 0.426426 In\n0.213212 0.463214 0.926426 In\n",
"nsites": 12,
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"elements": [
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{
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"created_at": "2022-09-04T14:37:12.226805Z",
"updated_at": "2022-09-04T14:37:12.226825Z",
"structure_string": "Be2 Zn1 Pt1\n1.0\n-8.972098 -0.000000 -5.180044\n-5.642656 -0.984772 -0.586719\n-4.407359 2.509178 -2.726317\nBe Zn Pt\n2 1 1\ndirect\n0.722622 0.000001 0.000001 Be\n0.277376 0.000001 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.499999 0.000001 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:37:19.917732Z",
"updated_at": "2022-09-04T14:37:19.917758Z",
"structure_string": "Rh1 C1\n1.0\n2.294126 2.294126 0.000000\n2.294126 0.000000 -2.294126\n-0.000000 2.294126 -2.294126\nRh C\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.750001 0.750001 0.750001 C\n",
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{
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"created_at": "2022-09-04T14:38:37.909238Z",
"updated_at": "2022-09-04T14:38:37.909260Z",
"structure_string": "Pr4 Mg2 Ir2 O12\n1.0\n5.728567 0.000000 0.000000\n0.000000 4.519007 3.179031\n0.000000 -0.011216 9.640763\nPr Mg Ir O\n4 2 2 12\ndirect\n0.556799 0.235303 0.750618 Pr\n0.943202 0.235304 0.250618 Pr\n0.443202 0.764696 0.249381 Pr\n0.056798 0.764696 0.749381 Pr\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 -0.000000 Ir\n0.206941 0.253088 0.047764 O\n0.293059 0.253088 0.547764 O\n0.476187 0.659072 0.750960 O\n0.023813 0.659072 0.250960 O\n0.523813 0.340928 0.249040 O\n0.704353 0.156131 0.047469 O\n0.295648 0.843868 0.952531 O\n0.204353 0.843869 0.452531 O\n0.706941 0.746912 0.452236 O\n0.795648 0.156131 0.547469 O\n0.976188 0.340928 0.749040 O\n0.793059 0.746912 0.952236 O\n",
"nsites": 20,
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"elements": [
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"density": 7.902304134255049,
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"volume": 249.77887731980104,
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"formula_full": "Pr4 Mg2 Ir2 O12",
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{
"id": "jvasp-37588",
"created_at": "2022-09-04T14:38:05.006258Z",
"updated_at": "2022-09-04T14:38:05.006275Z",
"structure_string": "Sm4 Cu4\n1.0\n4.514614 0.000000 0.000000\n-0.000000 5.508001 0.000000\n0.000000 0.000000 7.230388\nSm Cu\n4 4\ndirect\n0.250000 0.129608 0.180219 Sm\n0.749999 0.629608 0.319781 Sm\n0.250000 0.370392 0.680219 Sm\n0.749999 0.870392 0.819781 Sm\n0.250000 0.624883 0.035282 Cu\n0.749999 0.124883 0.464718 Cu\n0.250000 0.875117 0.535282 Cu\n0.749999 0.375117 0.964718 Cu\n",
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{
"id": "jvasp-40998",
"created_at": "2022-09-04T14:37:34.017969Z",
"updated_at": "2022-09-04T14:37:34.017994Z",
"structure_string": "Li1 Mg1 Tl2\n1.0\n0.000000 3.589020 3.589020\n3.589020 -0.000000 3.589020\n3.589020 3.589020 -0.000000\nLi Mg Tl\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
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},
{
"id": "jvasp-112354",
"created_at": "2022-09-04T14:38:26.457323Z",
"updated_at": "2022-09-04T14:38:26.457350Z",
"structure_string": "Nb2 Bi3 Pb2 Cl1 O11\n1.0\n3.937556 0.000000 0.000000\n0.000000 3.937556 0.000000\n-0.000000 -0.000000 19.496600\nNb Bi Pb Cl O\n2 3 2 1 11\ndirect\n0.500000 0.500000 0.883472 Nb\n0.500000 0.500000 0.116528 Nb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.599837 Bi\n0.500000 0.500000 0.400163 Bi\n0.000000 0.000000 0.728561 Pb\n0.000000 0.000000 0.271439 Pb\n0.000000 0.000000 0.500000 Cl\n0.500000 -0.000000 0.094572 O\n-0.000000 0.500000 0.905428 O\n0.500000 -0.000000 0.905428 O\n-0.000000 0.500000 0.343613 O\n0.500000 0.500000 0.209599 O\n-0.000000 0.500000 0.656387 O\n0.500000 -0.000000 0.656387 O\n-0.000000 0.500000 0.094572 O\n0.500000 0.500000 0.790401 O\n0.500000 -0.000000 0.343613 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Ba1 Sr1 Hf2 O6\n1.0\n5.071524 0.015344 -2.964694\n-1.662209 4.791415 -2.964694\n-0.010883 -0.015344 5.874492\nBa Sr Hf O\n1 1 2 6\ndirect\n0.499999 0.499999 -0.000000 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.749999 0.500000 Hf\n0.749999 0.250000 0.500000 Hf\n0.026969 0.026969 0.574063 O\n0.452905 0.452905 0.425937 O\n0.973030 0.547093 -0.000000 O\n0.547093 0.973030 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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}