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{
"id": "mp-775335",
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"formula_full": "Li4 Cr6 Fe2 O16",
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{
"id": "mp-1040051",
"created_at": "2022-09-04T14:44:21.887379Z",
"structure_string": "Li1 Mg30 Ga1 O32\n1.0\n8.504064 0.000000 0.000000\n0.000000 8.504064 0.000000\n0.000000 0.000000 8.507230\nLi Mg Ga O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.249119 0.245088 Mg\n0.000000 0.249119 0.754912 Mg\n0.000000 0.750881 0.245088 Mg\n0.000000 0.750881 0.754912 Mg\n0.500000 0.249928 0.248775 Mg\n0.500000 0.249928 0.751225 Mg\n0.500000 0.750072 0.248775 Mg\n0.500000 0.750072 0.751225 Mg\n0.249119 0.000000 0.245088 Mg\n0.249119 0.000000 0.754912 Mg\n0.249928 0.500000 0.248775 Mg\n0.249928 0.500000 0.751225 Mg\n0.750881 0.000000 0.245088 Mg\n0.750881 0.000000 0.754912 Mg\n0.750072 0.500000 0.248775 Mg\n0.750072 0.500000 0.751225 Mg\n0.247290 0.247290 0.000000 Mg\n0.251014 0.251014 0.500000 Mg\n0.247290 0.752710 0.000000 Mg\n0.251014 0.748986 0.500000 Mg\n0.752710 0.247290 0.000000 Mg\n0.748986 0.251014 0.500000 Mg\n0.752710 0.752710 0.000000 Mg\n0.748986 0.748986 0.500000 Mg\n0.000000 0.000000 0.500000 Ga\n0.254579 0.000000 0.000000 O\n0.244275 0.000000 0.500000 O\n0.250599 0.500000 0.000000 O\n0.248955 0.500000 0.500000 O\n0.745421 0.000000 0.000000 O\n0.755725 0.000000 0.500000 O\n0.749401 0.500000 0.000000 O\n0.751045 0.500000 0.500000 O\n0.249614 0.249614 0.250818 O\n0.249614 0.249614 0.749182 O\n0.249614 0.750386 0.250818 O\n0.249614 0.750386 0.749182 O\n0.750386 0.249614 0.250818 O\n0.750386 0.249614 0.749182 O\n0.750386 0.750386 0.250818 O\n0.750386 0.750386 0.749182 O\n0.000000 0.000000 0.265998 O\n0.000000 0.000000 0.734002 O\n0.000000 0.500000 0.252819 O\n0.000000 0.500000 0.747181 O\n0.500000 0.000000 0.252819 O\n0.500000 0.000000 0.747181 O\n0.500000 0.500000 0.251166 O\n0.500000 0.500000 0.748834 O\n0.000000 0.254579 0.000000 O\n0.000000 0.244275 0.500000 O\n0.000000 0.745421 0.000000 O\n0.000000 0.755725 0.500000 O\n0.500000 0.250599 0.000000 O\n0.500000 0.248955 0.500000 O\n0.500000 0.749401 0.000000 O\n0.500000 0.751045 0.500000 O\n",
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],
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"formula_full": "Li1 Mg30 Ga1 O32",
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"formula_anonymous": "ABC30D32",
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"spacegroup": 123
},
{
"id": "mp-567433",
"created_at": "2022-09-04T14:44:12.498799Z",
"structure_string": "B4 P4 I12 Br12\n1.0\n7.964903 0.000000 0.000000\n0.000000 11.999793 0.000000\n0.000000 0.000000 13.639436\nB P I Br\n4 4 12 12\ndirect\n0.249864 0.750000 0.105614 B\n0.749864 0.250000 0.394386 B\n0.750136 0.250000 0.894386 B\n0.250136 0.750000 0.605614 B\n0.500853 0.750000 0.140353 P\n0.000853 0.250000 0.359647 P\n0.499147 0.250000 0.859647 P\n0.999147 0.750000 0.640353 P\n0.177902 0.250000 0.505116 I\n0.322098 0.250000 0.005116 I\n0.080088 0.412976 0.263683 I\n0.419912 0.087024 0.763683 I\n0.580088 0.912976 0.236317 I\n0.419912 0.412976 0.763683 I\n0.822098 0.750000 0.494884 I\n0.919912 0.912976 0.736317 I\n0.580088 0.587024 0.236317 I\n0.677902 0.750000 0.994884 I\n0.080088 0.087024 0.263683 I\n0.919912 0.587024 0.736317 I\n0.282787 0.610235 0.529100 Br\n0.717213 0.110235 0.470900 Br\n0.634454 0.250000 0.264437 Br\n0.782787 0.110235 0.970900 Br\n0.365546 0.750000 0.735563 Br\n0.217213 0.889765 0.029100 Br\n0.782787 0.389765 0.970900 Br\n0.282787 0.889765 0.529100 Br\n0.865546 0.250000 0.764437 Br\n0.134454 0.750000 0.235563 Br\n0.717213 0.389765 0.470900 Br\n0.217213 0.610235 0.029100 Br\n",
"nsites": 32,
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"elements": [
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"density": 3.374071476394194,
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"volume": 1303.61892876206,
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"formula_full": "B4 P4 I12 Br12",
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"updated_at": "2021-11-28T01:36:33.532000Z",
"spacegroup": 62
},
{
"id": "mp-777567",
"created_at": "2022-09-04T14:44:21.914717Z",
"structure_string": "Li8 Fe8 F32\n1.0\n8.935905 0.000000 0.000000\n0.000000 8.982027 0.000000\n0.000000 0.000000 9.936984\nLi Fe F\n8 8 32\ndirect\n0.206639 0.142795 0.584518 Li\n0.706639 0.142795 0.915482 Li\n0.206639 0.357205 0.084518 Li\n0.706639 0.357205 0.415482 Li\n0.293361 0.642795 0.584518 Li\n0.793361 0.642795 0.915482 Li\n0.293361 0.857205 0.084518 Li\n0.793361 0.857205 0.415482 Li\n0.577921 0.063884 0.229521 Fe\n0.077921 0.063884 0.270479 Fe\n0.077921 0.436116 0.770479 Fe\n0.577921 0.436116 0.729521 Fe\n0.422079 0.563884 0.270479 Fe\n0.922079 0.563884 0.229521 Fe\n0.922079 0.936116 0.729521 Fe\n0.422079 0.936116 0.770479 Fe\n0.398895 0.037480 0.138979 F\n0.898895 0.037480 0.361021 F\n0.374613 0.121148 0.699828 F\n0.874613 0.121148 0.800172 F\n0.218892 0.120925 0.396149 F\n0.718892 0.120925 0.103851 F\n0.082030 0.194030 0.127002 F\n0.582030 0.194030 0.372998 F\n0.082030 0.305970 0.627002 F\n0.582030 0.305970 0.872998 F\n0.218892 0.379075 0.896149 F\n0.718892 0.379075 0.603851 F\n0.374613 0.378852 0.199828 F\n0.874613 0.378852 0.300172 F\n0.398895 0.462520 0.638979 F\n0.898895 0.462520 0.861021 F\n0.101105 0.537480 0.138979 F\n0.601105 0.537480 0.361021 F\n0.125387 0.621148 0.699828 F\n0.625387 0.621148 0.800172 F\n0.281108 0.620925 0.396149 F\n0.781108 0.620925 0.103851 F\n0.417970 0.694030 0.127002 F\n0.917970 0.694030 0.372998 F\n0.417970 0.805970 0.627002 F\n0.917970 0.805970 0.872998 F\n0.281108 0.879075 0.896149 F\n0.781108 0.879075 0.603851 F\n0.125387 0.878852 0.199828 F\n0.625387 0.878852 0.300172 F\n0.101105 0.962520 0.638979 F\n0.601105 0.962520 0.861021 F\n",
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{
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"structure_string": "La12 Ti4 Cl20 O16\n1.0\n4.082481 0.000000 0.000000\n0.000000 14.804852 0.000000\n0.000000 0.000000 16.954473\nLa Ti Cl O\n12 4 20 16\ndirect\n0.750000 0.080669 0.620462 La\n0.250000 0.919331 0.379538 La\n0.750000 0.915643 0.879157 La\n0.250000 0.239188 0.869955 La\n0.750000 0.419331 0.120462 La\n0.250000 0.084357 0.120843 La\n0.750000 0.584357 0.379157 La\n0.250000 0.580669 0.879538 La\n0.750000 0.739188 0.630045 La\n0.250000 0.260812 0.369955 La\n0.250000 0.415643 0.620843 La\n0.750000 0.760812 0.130045 La\n0.750000 0.410780 0.791602 Ti\n0.250000 0.910780 0.708398 Ti\n0.750000 0.089220 0.291602 Ti\n0.250000 0.589220 0.208398 Ti\n0.250000 0.899217 0.201984 Cl\n0.750000 0.399217 0.298016 Cl\n0.750000 0.556496 0.554496 Cl\n0.250000 0.715686 0.478724 Cl\n0.250000 0.096384 0.483643 Cl\n0.250000 0.443504 0.445504 Cl\n0.750000 0.596384 0.016357 Cl\n0.250000 0.224907 0.679773 Cl\n0.750000 0.775093 0.320227 Cl\n0.250000 0.275093 0.179773 Cl\n0.750000 0.903616 0.516357 Cl\n0.250000 0.403616 0.983643 Cl\n0.250000 0.056496 0.945504 Cl\n0.750000 0.724907 0.820227 Cl\n0.250000 0.784314 0.978724 Cl\n0.750000 0.943504 0.054496 Cl\n0.250000 0.600783 0.701984 Cl\n0.750000 0.100783 0.798016 Cl\n0.750000 0.284314 0.521276 Cl\n0.750000 0.215686 0.021276 Cl\n0.250000 0.909991 0.817678 O\n0.250000 0.482066 0.151986 O\n0.750000 0.517934 0.848014 O\n0.750000 0.090009 0.182322 O\n0.250000 0.590009 0.317678 O\n0.750000 0.982066 0.348014 O\n0.750000 0.301713 0.845371 O\n0.250000 0.017934 0.651986 O\n0.750000 0.591449 0.208417 O\n0.750000 0.908551 0.708417 O\n0.250000 0.698287 0.154629 O\n0.750000 0.198287 0.345371 O\n0.250000 0.408551 0.791583 O\n0.250000 0.801713 0.654629 O\n0.250000 0.091449 0.291583 O\n0.750000 0.409991 0.682322 O\n",
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{
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"structure_string": "Mg8 Sn2 N8\n1.0\n5.586503 -0.002537 -0.171005\n2.077730 5.235019 0.076655\n1.292667 2.467468 8.003183\nMg Sn N\n8 2 8\ndirect\n0.723522 0.614688 0.217759 Mg\n0.276477 0.385312 0.782241 Mg\n0.752139 0.244961 0.998924 Mg\n0.247861 0.755039 0.001076 Mg\n0.736193 0.486749 0.573334 Mg\n0.263807 0.513251 0.426666 Mg\n0.259760 0.929126 0.580223 Mg\n0.740240 0.070874 0.419777 Mg\n0.729344 0.833630 0.783712 Sn\n0.270656 0.166370 0.216288 Sn\n0.996270 0.697121 0.602184 N\n0.003730 0.302879 0.397816 N\n0.846422 0.841427 0.999631 N\n0.153578 0.158573 0.000369 N\n0.495696 0.605667 0.804016 N\n0.504304 0.394333 0.195984 N\n0.490020 0.801697 0.384626 N\n0.509980 0.198303 0.615374 N\n",
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{
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