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{
"id": "jvasp-15807",
"created_at": "2022-09-04T14:36:56.334851Z",
"updated_at": "2022-09-04T14:36:56.334870Z",
"structure_string": "Sr1 Zn2 Sb2\n1.0\n2.276740 -3.943429 -0.000000\n2.276740 3.943429 0.000000\n0.000000 -0.000000 7.701476\nSr Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.363843 Zn\n0.333333 0.666667 0.636157 Zn\n0.333333 0.666667 0.268076 Sb\n0.666667 0.333333 0.731925 Sb\n",
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{
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"structure_string": "Tm1 Co2 Si2\n1.0\n3.626265 -0.000000 -1.342316\n-0.496879 3.592063 -1.342316\n-0.006405 -0.007351 5.552032\nTm Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750002 0.250000 0.500000 Co\n0.250001 0.750000 0.499999 Co\n0.627288 0.627287 0.254574 Si\n0.372714 0.372712 0.745425 Si\n",
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{
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"structure_string": "Sr1 Pb2 N2\n1.0\n3.606565 -0.000000 -0.000001\n-1.803282 3.123377 -0.000000\n0.000000 0.000000 9.307627\nSr Pb N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Sr\n0.666666 0.333334 0.188033 Pb\n0.333334 0.666667 0.811968 Pb\n0.666666 0.333334 0.673592 N\n0.333334 0.666667 0.326408 N\n",
"nsites": 5,
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"elements": [
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"density": 8.394506940851882,
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"volume": 104.84727375941712,
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"formula_full": "Sr1 Pb2 N2",
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"spacegroup": 164
},
{
"id": "jvasp-15621",
"created_at": "2022-09-04T14:36:42.805686Z",
"updated_at": "2022-09-04T14:36:42.805715Z",
"structure_string": "Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.338032998566657,
"density_atomic": 0.061900050454466865,
"volume": 80.77537842522368,
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"formula_full": "Th1 Si2 Ni2",
"formula_reduced": "Th(SiNi)2",
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"spacegroup": 139
},
{
"id": "jvasp-15109",
"created_at": "2022-09-04T14:36:42.754539Z",
"updated_at": "2022-09-04T14:36:42.754560Z",
"structure_string": "Dy1 Si2 Au2\n1.0\n4.020888 -0.000000 -1.543014\n-0.592131 3.977050 -1.543014\n-0.043421 -0.050365 5.897305\nDy Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.613772 0.613771 0.227542 Si\n0.386229 0.386228 0.772460 Si\n0.250000 0.749999 0.500001 Au\n0.750000 0.249999 0.500001 Au\n",
"nsites": 5,
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"elements": [
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"density": 10.858754699891964,
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"volume": 93.68045707119052,
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"formula_full": "Dy1 Si2 Au2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-42495",
"created_at": "2022-09-04T14:36:56.464199Z",
"updated_at": "2022-09-04T14:36:56.464216Z",
"structure_string": "Na4 Fe2 O4\n1.0\n2.818015 -0.000000 -0.000000\n-1.409007 5.135225 0.000000\n0.000000 -0.000000 8.478069\nNa Fe O\n4 2 4\ndirect\n0.147733 0.295467 0.670787 Na\n0.393611 0.787226 0.844463 Na\n0.852264 0.704534 0.170787 Na\n0.606386 0.212775 0.344463 Na\n0.121591 0.243183 0.003992 Fe\n0.878407 0.756818 0.503992 Fe\n0.279807 0.559618 0.408417 O\n0.482311 0.964625 0.587231 O\n0.720190 0.440383 0.908417 O\n0.517686 0.035376 0.087231 O\n",
"nsites": 10,
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"elements": [
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"volume": 122.68733257119766,
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"formula_full": "Na4 Fe2 O4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 36
},
{
"id": "jvasp-15406",
"created_at": "2022-09-04T14:36:42.661702Z",
"updated_at": "2022-09-04T14:36:42.661723Z",
"structure_string": "Ho1 Cu2 Ge2\n1.0\n3.795404 0.000000 -1.378512\n-0.500683 3.762234 -1.378512\n-0.000308 -0.000351 5.913281\nHo Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.250000 0.749999 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.618473 0.618473 0.236948 Ge\n0.381526 0.381526 0.763052 Ge\n",
"nsites": 5,
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"elements": [
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"density": 8.600376319964855,
"density_atomic": 0.05921838787145881,
"volume": 84.4332339957168,
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"formula_full": "Ho1 Cu2 Ge2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-106634",
"created_at": "2022-09-04T14:36:56.634717Z",
"updated_at": "2022-09-04T14:36:56.634746Z",
"structure_string": "Pr4 Mg2 Si4\n1.0\n7.413635 -0.000000 0.000000\n0.000000 7.413635 0.000000\n0.000000 -0.000000 4.415634\nPr Mg Si\n4 2 4\ndirect\n0.680437 0.180437 0.500000 Pr\n0.319564 0.819564 0.500000 Pr\n0.180437 0.319564 0.500000 Pr\n0.819564 0.680437 0.500000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115174 0.615174 -0.000000 Si\n0.884827 0.384826 -0.000000 Si\n0.615174 0.884827 -0.000000 Si\n0.384826 0.115174 -0.000000 Si\n",
"nsites": 10,
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"elements": [
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"Mg",
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],
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"density": 4.957714675849562,
"density_atomic": 0.0412044888135617,
"volume": 242.69200487468936,
"volume_molar": 14.615254146819856,
"formula_full": "Pr4 Mg2 Si4",
"formula_reduced": "Pr2MgSi2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-3009",
"created_at": "2022-09-04T14:36:43.906447Z",
"updated_at": "2022-09-04T14:36:43.906457Z",
"structure_string": "Ca1 Zn2 As2\n1.0\n2.092534 -3.624375 0.000000\n2.092534 3.624375 0.000000\n0.000000 0.000000 6.998473\nCa Zn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.632601 Zn\n0.666666 0.333332 0.367398 Zn\n0.333332 0.666666 0.255512 As\n0.666666 0.333332 0.744488 As\n",
"nsites": 5,
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"elements": [
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"As"
],
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"density": 5.017209115652584,
"density_atomic": 0.04710110196579715,
"volume": 106.15462890084378,
"volume_molar": 12.785562351328904,
"formula_full": "Ca1 Zn2 As2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-15457",
"created_at": "2022-09-04T14:36:42.549301Z",
"updated_at": "2022-09-04T14:36:42.549317Z",
"structure_string": "Yb1 Mn2 Sb2\n1.0\n2.148814 -3.721856 -0.000000\n2.148814 3.721856 -0.000000\n-0.000000 0.000000 7.584448\nYb Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333332 0.609445 Mn\n0.333332 0.666666 0.390555 Mn\n0.666666 0.333332 0.256739 Sb\n0.333332 0.666666 0.743261 Sb\n",
"nsites": 5,
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],
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"density": 7.205803046935743,
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"formula_full": "Yb1 Mn2 Sb2",
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},
{
"id": "jvasp-15802",
"created_at": "2022-09-04T14:36:42.482323Z",
"updated_at": "2022-09-04T14:36:42.482350Z",
"structure_string": "Ca1 Cu2 P2\n1.0\n3.751844 -0.000000 -1.443860\n-0.555655 3.710470 -1.443860\n0.046263 0.053707 5.716696\nCa Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.618036 0.618037 0.236072 P\n0.381963 0.381964 0.763929 P\n",
"nsites": 5,
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"volume": 80.16459906609393,
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"formula_full": "Ca1 Cu2 P2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-102241",
"created_at": "2022-09-04T14:36:42.445418Z",
"updated_at": "2022-09-04T14:36:42.445441Z",
"structure_string": "Na2 Ti1 N2\n1.0\n3.131094 0.000117 0.000357\n-1.565646 2.711583 0.000192\n-0.001632 -0.001288 8.773121\nNa Ti N\n2 1 2\ndirect\n0.666678 0.333326 0.294196 Na\n0.333319 0.666673 0.705804 Na\n0.000000 0.000000 0.000000 Ti\n0.666639 0.333325 0.877090 N\n0.333359 0.666674 0.122910 N\n",
"nsites": 5,
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