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{
"id": "mp-1184392",
"created_at": "2022-09-04T14:41:51.888404Z",
"structure_string": "Eu2 Ag6\n1.0\n3.377183 -5.849452 0.000000\n3.377183 5.849452 0.000000\n0.000000 0.000000 4.827992\nEu Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n0.143919 0.287838 0.250000 Ag\n0.712162 0.856081 0.250000 Ag\n0.143919 0.856081 0.250000 Ag\n0.856081 0.712162 0.750000 Ag\n0.287838 0.143919 0.750000 Ag\n0.856081 0.143919 0.750000 Ag\n",
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{
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"structure_string": "Rb4 Hg6 Se8\n1.0\n-3.342620 6.000086 7.402444\n3.342620 -6.000086 7.402444\n3.342620 6.000086 -7.402444\nRb Hg Se\n4 6 8\ndirect\n0.120313 0.770850 0.891163 Rb\n0.879687 0.229150 0.108837 Rb\n0.620313 0.729150 0.349463 Rb\n0.379687 0.270850 0.650537 Rb\n0.250000 0.750000 0.500000 Hg\n0.750000 0.250000 0.500000 Hg\n0.914271 0.750000 0.164271 Hg\n0.585729 0.750000 0.835729 Hg\n0.085729 0.250000 0.835729 Hg\n0.414271 0.250000 0.164271 Hg\n0.232575 0.640148 0.145308 Se\n0.494840 0.087267 0.854692 Se\n0.005160 0.859852 0.592427 Se\n0.267425 0.412733 0.407573 Se\n0.767425 0.359852 0.854692 Se\n0.505160 0.912733 0.145308 Se\n0.994840 0.140148 0.407573 Se\n0.732575 0.587267 0.592427 Se\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Hg-Rb-Se",
"density": 6.087600096831126,
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"volume": 593.853888502453,
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"formula_full": "Rb4 Hg6 Se8",
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"spacegroup": 72
},
{
"id": "mp-22956",
"created_at": "2022-09-04T14:41:51.904170Z",
"structure_string": "K2 Pd1 Cl4\n1.0\n7.142082 0.000000 0.000000\n0.000000 7.142082 0.000000\n0.000000 0.000000 4.225829\nK Pd Cl\n2 1 4\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.231031 0.231031 0.000000 Cl\n0.768969 0.768969 0.000000 Cl\n0.231031 0.768969 0.000000 Cl\n0.768969 0.231031 0.000000 Cl\n",
"nsites": 7,
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"density": 2.514639403193976,
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"volume": 215.55672835916823,
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"formula_anonymous": "AB2C4",
"energy": -26.87598014,
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"updated_at": "2021-11-28T01:35:33.413000Z",
"spacegroup": 123
},
{
"id": "mp-29580",
"created_at": "2022-09-04T14:41:51.905751Z",
"structure_string": "Ta18 Co4 S12\n1.0\n5.179606 -8.971341 0.000000\n5.179606 8.971341 0.000000\n0.000000 0.000000 6.610844\nTa Co S\n18 4 12\ndirect\n0.739680 0.191600 0.500000 Ta\n0.471413 0.260009 0.000000 Ta\n0.543253 0.543253 0.248629 Ta\n0.000000 0.456747 0.751371 Ta\n0.548080 0.808400 0.500000 Ta\n0.191600 0.739680 0.500000 Ta\n0.260320 0.451920 0.500000 Ta\n0.456747 0.000000 0.751371 Ta\n0.808400 0.548080 0.500000 Ta\n0.739991 0.211404 0.000000 Ta\n0.260009 0.471413 0.000000 Ta\n0.788596 0.528587 0.000000 Ta\n0.000000 0.456747 0.248629 Ta\n0.528587 0.788596 0.000000 Ta\n0.451920 0.260320 0.500000 Ta\n0.543253 0.543253 0.751371 Ta\n0.456747 0.000000 0.248629 Ta\n0.211404 0.739991 0.000000 Ta\n0.666667 0.333333 0.279042 Co\n0.666667 0.333333 0.720958 Co\n0.333333 0.666667 0.720958 Co\n0.333333 0.666667 0.279042 Co\n0.297010 0.297010 0.762056 S\n0.702990 0.000000 0.762056 S\n0.726656 0.726656 0.500000 S\n0.274647 0.000000 0.000000 S\n0.000000 0.702990 0.762056 S\n0.297010 0.297010 0.237944 S\n0.000000 0.702990 0.237944 S\n0.000000 0.273344 0.500000 S\n0.000000 0.274647 0.000000 S\n0.725353 0.725353 0.000000 S\n0.702990 0.000000 0.237944 S\n0.273344 0.000000 0.500000 S\n",
"nsites": 34,
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"elements": [
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"chemical_system": "Co-S-Ta",
"density": 10.48016854568319,
"density_atomic": 0.055339842990382804,
"volume": 614.3855523028619,
"volume_molar": 10.88210669670052,
"formula_full": "Ta18 Co4 S12",
"formula_reduced": "Ta9(CoS3)2",
"formula_anonymous": "A2B6C9",
"energy": -323.15545012,
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"updated_at": "2021-11-28T01:35:25.884000Z",
"spacegroup": 189
},
{
"id": "mp-1110617",
"created_at": "2022-09-04T14:41:51.915886Z",
"structure_string": "Na2 Mn1 Tl1 F6\n1.0\n6.342561 0.000000 0.000000\n3.171281 5.492819 0.000000\n3.171281 1.830940 5.178680\nNa Mn Tl F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tl\n0.218432 0.781568 0.218432 F\n0.781568 0.781568 0.218432 F\n0.781568 0.218432 0.781568 F\n0.781568 0.218432 0.218432 F\n0.218432 0.781568 0.781568 F\n0.218432 0.218432 0.781568 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "F-Mn-Na-Tl",
"density": 3.8590991283849996,
"density_atomic": 0.05542695022048075,
"volume": 180.41764809756594,
"volume_molar": 10.865004724316881,
"formula_full": "Na2 Mn1 Tl1 F6",
"formula_reduced": "Na2MnTlF6",
"formula_anonymous": "ABC2D6",
"energy": -50.86190867,
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"updated_at": "2021-11-28T01:35:31.663000Z",
"spacegroup": 225
},
{
"id": "mp-771023",
"created_at": "2022-09-04T14:41:52.027164Z",
"structure_string": "Li6 Mn3 Sb3 O16\n1.0\n3.015679 5.286413 0.000000\n-3.015679 5.286413 0.000000\n0.000000 0.043567 10.030165\nLi Mn Sb O\n6 3 3 16\ndirect\n0.668893 0.668893 0.506401 Li\n0.663908 0.663908 0.874199 Li\n0.986580 0.986580 0.997699 Li\n0.993256 0.993256 0.506611 Li\n0.341699 0.341699 0.994255 Li\n0.330842 0.330842 0.382215 Li\n0.834062 0.834062 0.218772 Mn\n0.664254 0.168657 0.716184 Mn\n0.168657 0.664254 0.716184 Mn\n0.833411 0.338464 0.214517 Sb\n0.338464 0.833411 0.214517 Sb\n0.169618 0.169618 0.716880 Sb\n0.843588 0.306236 0.611990 O\n0.513960 0.513960 0.328886 O\n0.653667 0.653667 0.094540 O\n0.016365 0.016365 0.327695 O\n0.995032 0.995032 0.816244 O\n0.306236 0.843588 0.611990 O\n0.969603 0.515667 0.320433 O\n0.515667 0.969603 0.320433 O\n0.153425 0.153425 0.099275 O\n0.848786 0.848786 0.617436 O\n0.490900 0.030561 0.822575 O\n0.030561 0.490900 0.822575 O\n0.339319 0.339319 0.608918 O\n0.695812 0.153297 0.114653 O\n0.480702 0.480702 0.817111 O\n0.153297 0.695812 0.114653 O\n",
"nsites": 28,
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"elements": [
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"density": 4.297875195349603,
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"formula_full": "Li6 Mn3 Sb3 O16",
"formula_reduced": "Li6Mn3Sb3O16",
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"updated_at": "2021-11-28T01:35:34.191000Z",
"spacegroup": 8
},
{
"id": "mp-12826",
"created_at": "2022-09-04T14:41:51.907480Z",
"structure_string": "Sb8 Te3\n1.0\n21.645505 -2.187484 0.000000\n21.645505 2.187484 0.000000\n21.424439 0.000000 3.782379\nSb Te\n8 3\ndirect\n0.178389 0.178389 0.178389 Sb\n0.363719 0.363719 0.363719 Sb\n0.636281 0.636281 0.636281 Sb\n0.821611 0.821611 0.821611 Sb\n0.547701 0.547701 0.547701 Sb\n0.095361 0.095361 0.095361 Sb\n0.904639 0.904639 0.904639 Sb\n0.452299 0.452299 0.452299 Sb\n0.276835 0.276835 0.276835 Te\n0.723164 0.723165 0.723164 Te\n0.000000 0.000000 0.000000 Te\n",
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"volume": 358.1852081711143,
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"formula_full": "Sb8 Te3",
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{
"id": "mp-21330",
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"structure_string": "Eu2 Ag2 As2\n1.0\n2.280107 -3.949260 0.000000\n2.280107 3.949260 0.000000\n0.000000 0.000000 8.175491\nEu Ag As\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
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{
"id": "mp-570562",
"created_at": "2022-09-04T14:41:51.919061Z",
"structure_string": "Te6 Pt4\n1.0\n2.028856 3.516127 0.000000\n-2.028856 3.516127 0.000000\n0.000000 2.264568 17.584677\nTe Pt\n6 4\ndirect\n0.765484 0.765484 0.729256 Te\n0.036162 0.036162 0.888808 Te\n0.148804 0.148804 0.572913 Te\n0.234516 0.234516 0.270744 Te\n0.963838 0.963838 0.111192 Te\n0.851196 0.851196 0.427087 Te\n0.457683 0.457683 0.650120 Pt\n0.542317 0.542317 0.349880 Pt\n0.652958 0.652958 0.042065 Pt\n0.347042 0.347042 0.957935 Pt\n",
"nsites": 10,
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"formula_full": "Te6 Pt4",
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{
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"created_at": "2022-09-04T14:41:51.918176Z",
"structure_string": "Mg12 Zn2 Ni2\n1.0\n4.832255 0.000000 0.000000\n0.000000 6.057038 0.000000\n0.000000 0.000000 10.450335\nMg Zn Ni\n12 2 2\ndirect\n0.000000 0.263726 0.091824 Mg\n0.000000 0.736274 0.091824 Mg\n0.000000 0.500000 0.833860 Mg\n0.500000 0.243602 0.911404 Mg\n0.500000 0.756398 0.911404 Mg\n0.500000 0.500000 0.665605 Mg\n0.000000 0.763726 0.591824 Mg\n0.000000 0.236274 0.591824 Mg\n0.000000 0.000000 0.333860 Mg\n0.500000 0.743602 0.411404 Mg\n0.500000 0.256398 0.411404 Mg\n0.500000 0.000000 0.165605 Mg\n0.000000 0.500000 0.329019 Zn\n0.000000 0.000000 0.829019 Zn\n0.500000 0.500000 0.165060 Ni\n0.500000 0.000000 0.665060 Ni\n",
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"formula_full": "Mg12 Zn2 Ni2",
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{
"id": "mp-1096587",
"created_at": "2022-09-04T14:41:51.955231Z",
"structure_string": "Sc2 Tl1 Pd1\n1.0\n-5.196454 6.268789 8.842698\n5.196454 -6.268789 8.842698\n5.196454 6.268789 -8.842698\nSc Tl Pd\n2 1 1\ndirect\n0.000000 0.229323 0.229323 Sc\n0.000000 0.770677 0.770677 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Ti2 Fe1 Os1\n1.0\n0.000000 3.039259 3.039259\n3.039259 0.000000 3.039259\n3.039259 3.039259 0.000000\nTi Fe Os\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Os\n",
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"total_magnetization": 0.0010593,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.949000Z",
"spacegroup": 225
}
]
}