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{
"id": "mp-1106140",
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"structure_string": "Y2 Co17\n1.0\n4.158742 2.401051 4.050357\n-4.158742 2.401051 4.050357\n0.000000 -4.802102 4.050357\nY Co\n2 17\ndirect\n0.655775 0.655775 0.655775 Y\n0.344225 0.344225 0.344225 Y\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.288175 0.711825 0.000000 Co\n0.711825 0.000000 0.288175 Co\n0.000000 0.288175 0.711825 Co\n0.288175 0.000000 0.711825 Co\n0.000000 0.711825 0.288175 Co\n0.711825 0.288175 0.000000 Co\n0.345457 0.345457 0.849977 Co\n0.345457 0.849977 0.345457 Co\n0.849977 0.345457 0.345457 Co\n0.654543 0.654543 0.150023 Co\n0.654543 0.150023 0.654543 Co\n0.150023 0.654543 0.654543 Co\n0.903508 0.903508 0.903508 Co\n0.096492 0.096492 0.096492 Co\n",
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{
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{
"id": "mp-1042799",
"created_at": "2022-09-04T14:41:36.763292Z",
"structure_string": "Mg8 Ni8 Bi8 O40\n1.0\n5.254923 0.000000 0.000000\n0.000000 10.042160 0.000000\n0.000000 0.000000 14.963187\nMg Ni Bi O\n8 8 8 40\ndirect\n0.517702 0.371886 0.561411 Mg\n0.017702 0.128114 0.561411 Mg\n0.017702 0.628114 0.938589 Mg\n0.982298 0.371886 0.061411 Mg\n0.482298 0.128114 0.061411 Mg\n0.982298 0.871886 0.438589 Mg\n0.482298 0.628114 0.438589 Mg\n0.517702 0.871886 0.938589 Mg\n0.038360 0.402628 0.425937 Ni\n0.461640 0.902628 0.574063 Ni\n0.961640 0.597372 0.574063 Ni\n0.538360 0.097372 0.425937 Ni\n0.961640 0.097372 0.925937 Ni\n0.038360 0.902628 0.074063 Ni\n0.461640 0.402628 0.925937 Ni\n0.538360 0.597372 0.074063 Ni\n0.989953 0.856608 0.749366 Bi\n0.010047 0.143392 0.250634 Bi\n0.510047 0.356608 0.250634 Bi\n0.010047 0.643392 0.249366 Bi\n0.489953 0.143392 0.750634 Bi\n0.489953 0.643392 0.749366 Bi\n0.510047 0.856608 0.249366 Bi\n0.989953 0.356608 0.750634 Bi\n0.854360 0.314689 0.325289 O\n0.251492 0.014562 0.975318 O\n0.248508 0.514562 0.024682 O\n0.304069 0.796654 0.833487 O\n0.195931 0.296654 0.166513 O\n0.854360 0.814689 0.174711 O\n0.195931 0.796654 0.333487 O\n0.645640 0.814689 0.674711 O\n0.251492 0.514562 0.524682 O\n0.145640 0.685311 0.674711 O\n0.645640 0.314689 0.825289 O\n0.708640 0.224115 0.490512 O\n0.751492 0.985438 0.524682 O\n0.695931 0.703346 0.333487 O\n0.253747 0.001477 0.164384 O\n0.751492 0.485438 0.975318 O\n0.145640 0.185311 0.825289 O\n0.804069 0.203346 0.666513 O\n0.208640 0.775885 0.009488 O\n0.248508 0.014562 0.475318 O\n0.291360 0.775885 0.509488 O\n0.746253 0.998523 0.835616 O\n0.695931 0.203346 0.166513 O\n0.753747 0.998523 0.335616 O\n0.291360 0.275885 0.990512 O\n0.208640 0.275885 0.490512 O\n0.748508 0.485438 0.475318 O\n0.748508 0.985438 0.024682 O\n0.753747 0.498523 0.164384 O\n0.791360 0.724115 0.509488 O\n0.791360 0.224115 0.990512 O\n0.708640 0.724115 0.009488 O\n0.746253 0.498523 0.664384 O\n0.804069 0.703346 0.833487 O\n0.304069 0.296654 0.666513 O\n0.253747 0.501477 0.335616 O\n0.246253 0.501477 0.835616 O\n0.354360 0.185311 0.325289 O\n0.246253 0.001477 0.664384 O\n0.354360 0.685311 0.174711 O\n",
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"formula_full": "Mg8 Ni8 Bi8 O40",
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"spacegroup": 61
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{
"id": "mp-1174650",
"created_at": "2022-09-04T14:41:12.348256Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.441067 2.598434 0.000000\n-1.441067 2.598434 0.000000\n0.000000 2.555629 34.141331\nLi Mn Co O\n8 2 4 14\ndirect\n0.861321 0.861321 0.712303 Li\n0.296328 0.296328 0.569648 Li\n0.703672 0.703672 0.430352 Li\n0.138679 0.138679 0.287697 Li\n0.573161 0.573161 0.141528 Li\n0.000000 0.000000 0.000000 Li\n0.426839 0.426839 0.858472 Li\n0.000000 0.000000 0.500000 Li\n0.143350 0.143350 0.785563 Mn\n0.856650 0.856650 0.214437 Mn\n0.574957 0.574957 0.642899 Co\n0.425043 0.425043 0.357101 Co\n0.285909 0.285909 0.070961 Co\n0.714091 0.714091 0.929039 Co\n0.522681 0.522681 0.753268 O\n0.922384 0.922384 0.611606 O\n0.358054 0.358054 0.463562 O\n0.784952 0.784952 0.323137 O\n0.236923 0.236923 0.181030 O\n0.644504 0.644504 0.038542 O\n0.072853 0.072853 0.896322 O\n0.215048 0.215048 0.676863 O\n0.641946 0.641946 0.536438 O\n0.077616 0.077616 0.388394 O\n0.477319 0.477319 0.246732 O\n0.927147 0.927147 0.103678 O\n0.355496 0.355496 0.961458 O\n0.763077 0.763077 0.818970 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "mp-1194407",
"created_at": "2022-09-04T14:43:05.387163Z",
"structure_string": "Co22 B6 Sb1\n1.0\n0.000000 5.266544 5.266544\n5.266544 0.000000 5.266544\n5.266544 5.266544 0.000000\nCo B Sb\n22 6 1\ndirect\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.619268 0.619268 0.142197 Co\n0.619268 0.142197 0.619268 Co\n0.142197 0.619268 0.619268 Co\n0.619268 0.619268 0.619268 Co\n0.380732 0.380732 0.857803 Co\n0.380732 0.857803 0.380732 Co\n0.857803 0.380732 0.380732 Co\n0.380732 0.380732 0.380732 Co\n0.000000 0.000000 0.345014 Co\n0.654986 0.000000 0.345014 Co\n0.000000 0.654986 0.345014 Co\n0.654986 0.345014 0.000000 Co\n0.000000 0.345014 0.000000 Co\n0.000000 0.345014 0.654986 Co\n0.345014 0.654986 0.000000 Co\n0.345014 0.000000 0.654986 Co\n0.345014 0.000000 0.000000 Co\n0.000000 0.000000 0.654986 Co\n0.000000 0.654986 0.000000 Co\n0.654986 0.000000 0.000000 Co\n0.719733 0.719733 0.280267 B\n0.280267 0.719733 0.280267 B\n0.719733 0.280267 0.280267 B\n0.280267 0.280267 0.719733 B\n0.719733 0.280267 0.719733 B\n0.280267 0.719733 0.719733 B\n0.000000 0.000000 0.000000 Sb\n",
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],
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"density": 8.43002512517839,
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"spacegroup": 225
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{
"id": "mp-1216500",
"created_at": "2022-09-04T14:44:11.491287Z",
"structure_string": "Zr2 Mn12 Ga1 Sn11\n1.0\n-2.680279 -4.656039 0.000000\n-5.374460 0.008025 0.000000\n0.000000 0.000000 -17.858234\nZr Mn Ga Sn\n2 12 1 11\ndirect\n0.999829 0.000189 0.250000 Zr\n0.999898 0.000055 0.750000 Zr\n0.503944 0.992074 0.129760 Mn\n0.499882 0.000008 0.625491 Mn\n0.992030 0.503823 0.129756 Mn\n0.000019 0.500071 0.625474 Mn\n0.504010 0.503831 0.129768 Mn\n0.499900 0.500226 0.625489 Mn\n0.503944 0.992074 0.370240 Mn\n0.499882 0.000008 0.874509 Mn\n0.992030 0.503823 0.370244 Mn\n0.000019 0.500071 0.874526 Mn\n0.504010 0.503831 0.370232 Mn\n0.499900 0.500226 0.874511 Mn\n0.666503 0.666392 0.250000 Ga\n0.000089 0.999931 0.086314 Sn\n0.000190 0.999843 0.584783 Sn\n0.000089 0.999931 0.413686 Sn\n0.000190 0.999843 0.915217 Sn\n0.666449 0.666693 0.001455 Sn\n0.666449 0.666693 0.498545 Sn\n0.333475 0.333340 0.002948 Sn\n0.333475 0.333340 0.497052 Sn\n0.666244 0.667059 0.750000 Sn\n0.333419 0.333662 0.250000 Sn\n0.333735 0.332964 0.750000 Sn\n",
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{
"id": "mp-759769",
"created_at": "2022-09-04T14:40:31.237086Z",
"structure_string": "Li10 Fe5 Co3 O16\n1.0\n2.945814 5.111369 0.000000\n-2.945814 5.111369 0.000000\n0.000000 0.007394 9.728951\nLi Fe Co O\n10 5 3 16\ndirect\n0.383528 0.806384 0.945485 Li\n0.806384 0.383528 0.945485 Li\n0.802854 0.802854 0.946214 Li\n0.669349 0.669349 0.723932 Li\n0.001523 0.001523 0.021582 Li\n0.004415 0.004415 0.514510 Li\n0.194285 0.194285 0.446637 Li\n0.609861 0.186139 0.442878 Li\n0.330480 0.330480 0.223784 Li\n0.186139 0.609861 0.442878 Li\n0.663071 0.663071 0.470693 Fe\n0.335657 0.335657 0.973509 Fe\n0.825281 0.825281 0.216229 Fe\n0.167665 0.665065 0.715778 Fe\n0.665065 0.167665 0.715778 Fe\n0.335245 0.830650 0.211484 Co\n0.171153 0.171153 0.712253 Co\n0.830650 0.335245 0.211484 Co\n0.331842 0.845887 0.592336 O\n0.509735 0.509735 0.328258 O\n0.658270 0.658270 0.101011 O\n0.497258 0.980399 0.332650 O\n0.845887 0.331842 0.592336 O\n0.011355 0.011355 0.827593 O\n0.005708 0.005708 0.318704 O\n0.980399 0.497258 0.332650 O\n0.163779 0.163779 0.100126 O\n0.837559 0.837559 0.583623 O\n0.016320 0.487645 0.834897 O\n0.487645 0.016320 0.834897 O\n0.330070 0.330070 0.592338 O\n0.170373 0.670554 0.094573 O\n0.494583 0.494583 0.838655 O\n0.670554 0.170373 0.094573 O\n",
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"formula_full": "Li10 Fe5 Co3 O16",
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{
"id": "mp-1104899",
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"structure_string": "Sm1 Fe12\n1.0\n0.000000 0.000000 4.662868\n-4.256856 4.256856 2.331434\n-4.256856 -4.256856 2.331434\nSm Fe\n1 12\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.358778 0.641222 Fe\n0.000000 0.641222 0.358778 Fe\n0.641222 0.358778 0.358778 Fe\n0.358778 0.641222 0.641222 Fe\n0.500000 0.768154 0.231846 Fe\n0.500000 0.231846 0.768154 Fe\n0.731846 0.768154 0.768154 Fe\n0.268154 0.231846 0.231846 Fe\n",
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{
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"structure_string": "Eu4 Ir4 O14\n1.0\n0.000000 5.233224 5.233224\n5.233224 0.000000 5.233224\n5.233224 5.233224 0.000000\nEu Ir O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Eu\n0.125000 0.625000 0.625000 Eu\n0.625000 0.125000 0.625000 Eu\n0.625000 0.625000 0.125000 Eu\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n0.500000 0.500000 0.500000 O\n0.202823 0.797177 0.202823 O\n0.047177 0.452823 0.047177 O\n0.202824 0.202824 0.797177 O\n0.797177 0.797177 0.202823 O\n0.047177 0.452824 0.452823 O\n0.452824 0.047177 0.047176 O\n0.797177 0.202823 0.202823 O\n0.452823 0.452823 0.047177 O\n0.202823 0.797177 0.797176 O\n0.750000 0.750000 0.750000 O\n0.452824 0.047177 0.452823 O\n0.047177 0.047177 0.452823 O\n0.797177 0.202824 0.797177 O\n",
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