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{
"id": "mp-1179352",
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{
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 12
},
{
"id": "mp-1173305",
"created_at": "2022-09-04T14:46:55.837236Z",
"structure_string": "Sc2 Pa2 O8\n1.0\n-2.621752 2.621752 5.280033\n2.621752 -2.621752 5.280033\n2.621752 2.621752 -5.280033\nSc Pa O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.250000 0.500000 Sc\n0.500000 0.500000 0.000000 Pa\n0.250000 0.750000 0.500000 Pa\n0.375000 0.373185 0.498185 O\n0.875000 0.876815 0.501815 O\n0.123185 0.125000 0.498185 O\n0.626815 0.125000 0.001815 O\n0.875000 0.373185 0.998185 O\n0.626815 0.625000 0.501815 O\n0.123185 0.625000 0.998185 O\n0.375000 0.876815 0.001815 O\n",
"nsites": 12,
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"formula_full": "Sc2 Pa2 O8",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:49.094000Z",
"spacegroup": 141
},
{
"id": "mp-1031065",
"created_at": "2022-09-04T14:46:55.736780Z",
"structure_string": "K1 Hf1 Mg6 O7\n1.0\n11.801796 0.000000 0.000000\n-0.000000 4.178423 0.000000\n0.000000 0.000000 4.178423\nK Hf Mg O\n1 1 6 7\ndirect\n0.072819 0.000000 -0.000000 K\n0.908667 0.500000 0.500000 Hf\n0.525070 -0.000000 -0.000000 Mg\n0.528252 0.500000 0.500000 Mg\n0.338855 0.000000 0.500000 Mg\n0.716050 -0.000000 0.500000 Mg\n0.338855 0.500000 0.000000 Mg\n0.716050 0.500000 -0.000000 Mg\n0.336423 0.000000 -0.000000 O\n0.697130 0.000000 -0.000000 O\n0.722894 0.500000 0.500000 O\n0.901383 -0.000000 0.500000 O\n0.523084 0.000000 0.500000 O\n0.901383 0.500000 0.000000 O\n0.523084 0.500000 -0.000000 O\n",
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"density": 3.831318400139433,
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"volume": 206.05013820666764,
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"formula_full": "K1 Hf1 Mg6 O7",
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{
"id": "mp-773084",
"created_at": "2022-09-04T14:46:39.386354Z",
"structure_string": "Ba6 Li2 Ti7 Nb9 O42\n1.0\n8.061972 4.666846 0.000000\n-8.061972 4.666846 0.000000\n0.000000 0.017506 11.791628\nBa Li Ti Nb O\n6 2 7 9 42\ndirect\n0.402860 0.402860 0.754623 Ba\n0.588787 0.588787 0.248198 Ba\n0.593533 0.999732 0.754021 Ba\n0.404723 0.004720 0.249780 Ba\n0.004720 0.404723 0.249780 Ba\n0.999732 0.593533 0.754021 Ba\n0.999472 0.999472 0.765535 Li\n0.005048 0.005048 0.257719 Li\n0.252243 0.252243 0.088104 Ti\n0.249253 0.249253 0.405259 Ti\n0.750239 0.750239 0.910584 Ti\n0.750384 0.999200 0.409756 Ti\n0.003474 0.250099 0.913448 Ti\n0.250099 0.003474 0.913448 Ti\n0.999200 0.750384 0.409756 Ti\n0.746474 0.746474 0.589539 Nb\n0.333145 0.662522 0.994542 Nb\n0.333192 0.666989 0.491479 Nb\n0.750110 0.001492 0.088795 Nb\n0.001361 0.252193 0.590178 Nb\n0.252193 0.001361 0.590178 Nb\n0.662522 0.333145 0.994542 Nb\n0.666989 0.333192 0.491479 Nb\n0.001492 0.750110 0.088795 Nb\n0.199337 0.199337 0.926098 O\n0.204298 0.204298 0.574145 O\n0.206848 0.206848 0.248745 O\n0.311476 0.479934 0.398707 O\n0.313193 0.480251 0.098056 O\n0.798360 0.798360 0.750398 O\n0.799541 0.799541 0.423323 O\n0.794734 0.794734 0.074890 O\n0.167657 0.480242 0.897308 O\n0.168422 0.484150 0.601602 O\n0.520686 0.688684 0.898973 O\n0.515217 0.684191 0.601761 O\n0.516162 0.830571 0.101149 O\n0.520653 0.832618 0.399002 O\n0.167047 0.688234 0.398956 O\n0.168077 0.682692 0.102918 O\n0.802545 0.999427 0.923375 O\n0.795281 0.000086 0.574329 O\n0.800127 0.000472 0.250413 O\n0.310629 0.832462 0.902776 O\n0.315250 0.831369 0.601367 O\n0.000243 0.198792 0.423224 O\n0.000191 0.203001 0.074822 O\n0.001521 0.201921 0.750736 O\n0.682692 0.168077 0.102918 O\n0.688234 0.167047 0.398956 O\n0.201921 0.001521 0.750736 O\n0.198792 0.000243 0.423224 O\n0.203001 0.000191 0.074822 O\n0.832462 0.310629 0.902776 O\n0.831369 0.315250 0.601367 O\n0.484150 0.168422 0.601602 O\n0.480242 0.167657 0.897308 O\n0.479934 0.311476 0.398707 O\n0.480251 0.313193 0.098056 O\n0.832618 0.520653 0.399002 O\n0.830571 0.516162 0.101149 O\n0.684191 0.515217 0.601761 O\n0.688683 0.520686 0.898973 O\n0.000472 0.800127 0.250413 O\n0.000086 0.795281 0.574329 O\n0.999427 0.802545 0.923375 O\n",
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"formula_full": "Ba6 Li2 Ti7 Nb9 O42",
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{
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"structure_string": "Ca1 Mn1 Sn1 W1 O6\n1.0\n-0.000000 -4.057259 -4.057259\n4.057259 0.000000 -4.057259\n4.057259 -4.057259 0.000000\nCa Mn Sn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.739199 0.260801 0.260801 O\n0.260801 0.739199 0.739199 O\n0.739199 0.260801 0.739199 O\n0.260801 0.739199 0.260801 O\n0.739199 0.739199 0.260801 O\n0.260801 0.260801 0.739199 O\n",
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{
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"structure_string": "Na4 Hg4 Cl12 O8\n1.0\n4.209821 0.000000 0.000000\n0.000000 8.332958 0.000000\n0.000000 0.000000 19.577439\nNa Hg Cl O\n4 4 12 8\ndirect\n0.250000 0.583955 0.140309 Na\n0.250000 0.083955 0.359691 Na\n0.750000 0.416045 0.859691 Na\n0.750000 0.916045 0.640309 Na\n0.250000 0.561794 0.412018 Hg\n0.250000 0.061794 0.087982 Hg\n0.750000 0.438206 0.587982 Hg\n0.750000 0.938206 0.912018 Hg\n0.250000 0.411687 0.310308 Cl\n0.250000 0.911687 0.189692 Cl\n0.750000 0.588313 0.689692 Cl\n0.750000 0.088313 0.810308 Cl\n0.250000 0.216796 0.671637 Cl\n0.250000 0.716796 0.828363 Cl\n0.750000 0.783204 0.328363 Cl\n0.750000 0.283204 0.171637 Cl\n0.250000 0.681697 0.521793 Cl\n0.250000 0.181697 0.978207 Cl\n0.750000 0.318303 0.478207 Cl\n0.750000 0.818303 0.021793 Cl\n0.250000 0.521209 0.837185 O\n0.250000 0.021209 0.662815 O\n0.750000 0.478791 0.162815 O\n0.750000 0.978791 0.337185 O\n0.250000 0.531061 0.022138 O\n0.250000 0.031061 0.477862 O\n0.750000 0.468939 0.977862 O\n0.750000 0.968939 0.522138 O\n",
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{
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"structure_string": "V2 Fe2 Sb2 O12\n1.0\n4.637621 -0.000803 0.000005\n-0.000804 4.637511 -0.000002\n0.000009 -0.000003 9.264417\nV Fe Sb O\n2 2 2 12\ndirect\n0.000000 0.000000 0.000849 V\n0.500000 0.499999 0.501035 V\n0.500005 0.500001 0.168786 Fe\n0.000001 0.000001 0.668802 Fe\n0.500000 0.500000 0.833767 Sb\n0.000000 0.000000 0.333570 Sb\n0.191526 0.808471 0.163466 O\n0.808472 0.191528 0.163467 O\n0.307755 0.307754 0.663846 O\n0.692243 0.692247 0.663846 O\n0.202164 0.797851 0.498059 O\n0.797835 0.202150 0.498058 O\n0.297730 0.297730 0.997907 O\n0.702269 0.702269 0.997907 O\n0.194068 0.805930 0.836874 O\n0.805932 0.194069 0.836874 O\n0.306104 0.306097 0.336443 O\n0.693896 0.693903 0.336443 O\n",
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{
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"structure_string": "Ba4 Nd1 Ir3 O12\n1.0\n2.999720 5.202119 0.000000\n-2.999720 5.202119 0.000000\n0.000000 4.012298 10.015923\nBa Nd Ir O\n4 1 3 12\ndirect\n0.871260 0.871260 0.387359 Ba\n0.128740 0.128740 0.612641 Ba\n0.276394 0.276394 0.148251 Ba\n0.723606 0.723606 0.851749 Ba\n0.000000 0.000000 0.000000 Nd\n0.571512 0.571512 0.245387 Ir\n0.428488 0.428488 0.754613 Ir\n0.500000 0.500000 0.500000 Ir\n0.381791 0.849606 0.366458 O\n0.618209 0.150394 0.633542 O\n0.150394 0.618209 0.633542 O\n0.849606 0.381791 0.366458 O\n0.761494 0.761494 0.111882 O\n0.238506 0.238506 0.888118 O\n0.374969 0.374969 0.392088 O\n0.625031 0.625031 0.607912 O\n0.282937 0.754269 0.146625 O\n0.717063 0.245731 0.853375 O\n0.245731 0.717063 0.853375 O\n0.754269 0.282937 0.146625 O\n",
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{
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{
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{
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"structure_string": "Mg6 Ti1 Cu1 O8\n1.0\n4.264662 0.000000 0.000000\n0.000000 4.264662 0.000000\n0.000000 0.000000 8.822068\nMg Ti Cu O\n6 1 1 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.238957 Mg\n0.000000 0.500000 0.761043 Mg\n0.500000 0.000000 0.238957 Mg\n0.500000 0.000000 0.761043 Mg\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.270756 O\n0.000000 0.000000 0.729244 O\n0.500000 0.500000 0.251256 O\n0.500000 0.500000 0.748744 O\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"formula_full": "Mg6 Ti1 Cu1 O8",
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]
}