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{
"id": "mp-1247068",
"created_at": "2022-09-04T14:41:01.151878Z",
"structure_string": "In16 Si16 N32\n1.0\n5.550556 0.000000 0.000000\n0.000000 10.325677 0.000000\n0.000000 0.000000 13.910253\nIn Si N\n16 16 32\ndirect\n0.776312 0.000303 0.423398 In\n0.276312 0.499697 0.576602 In\n0.223688 0.500303 0.076602 In\n0.723688 0.999697 0.923398 In\n0.223688 0.999697 0.576602 In\n0.723688 0.500303 0.423398 In\n0.776312 0.499697 0.923398 In\n0.276312 0.000303 0.076602 In\n0.888913 0.230287 0.320139 In\n0.388913 0.269713 0.679861 In\n0.111087 0.730287 0.179861 In\n0.611087 0.769713 0.820139 In\n0.111087 0.769713 0.679861 In\n0.611087 0.730287 0.320139 In\n0.888913 0.269713 0.820139 In\n0.388913 0.230287 0.179861 In\n0.799304 0.995064 0.186684 Si\n0.299304 0.504936 0.813316 Si\n0.200696 0.495064 0.313316 Si\n0.700696 0.004936 0.686684 Si\n0.200696 0.004936 0.813316 Si\n0.700696 0.495064 0.186684 Si\n0.799304 0.504936 0.686684 Si\n0.299304 0.995064 0.313316 Si\n0.838935 0.264543 0.060004 Si\n0.338935 0.235457 0.939996 Si\n0.161065 0.764543 0.439996 Si\n0.661065 0.735457 0.560004 Si\n0.161065 0.735457 0.939996 Si\n0.661065 0.764543 0.060004 Si\n0.838935 0.235457 0.560004 Si\n0.338935 0.264543 0.439996 Si\n0.424534 0.440172 0.233242 N\n0.924534 0.059828 0.766758 N\n0.575466 0.940172 0.266758 N\n0.075466 0.559828 0.733242 N\n0.575466 0.559828 0.766758 N\n0.075466 0.940172 0.233242 N\n0.424534 0.059828 0.733242 N\n0.924534 0.440172 0.266758 N\n0.650286 0.298565 0.467591 N\n0.150286 0.201435 0.532409 N\n0.349714 0.798565 0.032409 N\n0.849714 0.701435 0.967591 N\n0.349714 0.701435 0.532409 N\n0.849714 0.798565 0.467591 N\n0.650286 0.201435 0.967591 N\n0.150286 0.298565 0.032409 N\n0.712037 0.416737 0.077056 N\n0.212037 0.083263 0.922944 N\n0.287963 0.916737 0.422944 N\n0.787963 0.583263 0.577056 N\n0.287963 0.583263 0.922944 N\n0.787963 0.916737 0.077056 N\n0.712037 0.083263 0.577056 N\n0.212037 0.416737 0.422944 N\n0.804353 0.166296 0.165919 N\n0.304353 0.333704 0.834081 N\n0.195647 0.666296 0.334081 N\n0.695647 0.833704 0.665919 N\n0.195647 0.833704 0.834081 N\n0.695647 0.666296 0.165919 N\n0.804353 0.333704 0.665919 N\n0.304353 0.166296 0.334081 N\n",
"nsites": 64,
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"elements": [
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],
"chemical_system": "In-N-Si",
"density": 5.695922007597336,
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"volume": 797.241785863243,
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"formula_full": "In16 Si16 N32",
"formula_reduced": "InSiN2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:10.809000Z",
"spacegroup": 61
},
{
"id": "mp-567330",
"created_at": "2022-09-04T14:41:01.157879Z",
"structure_string": "Ti4 Cl12\n1.0\n3.056283 -5.293637 0.000000\n3.056283 5.293637 0.000000\n0.000000 0.000000 12.553533\nTi Cl\n4 12\ndirect\n0.000000 0.000000 0.750000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.250000 Ti\n0.333333 0.666667 0.250000 Ti\n0.666549 0.686076 0.138150 Cl\n0.019527 0.333451 0.138150 Cl\n0.313924 0.333451 0.361850 Cl\n0.333451 0.019527 0.638150 Cl\n0.313924 0.980473 0.138150 Cl\n0.333451 0.313924 0.861850 Cl\n0.686076 0.019527 0.861850 Cl\n0.980473 0.666549 0.861850 Cl\n0.980473 0.313924 0.638150 Cl\n0.666549 0.980473 0.361850 Cl\n0.686076 0.666549 0.638150 Cl\n0.019527 0.686076 0.361850 Cl\n",
"nsites": 16,
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"elements": [
"Ti",
"Cl"
],
"chemical_system": "Cl-Ti",
"density": 2.521871748958713,
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"volume": 406.20352433258387,
"volume_molar": 15.288842504618156,
"formula_full": "Ti4 Cl12",
"formula_reduced": "TiCl3",
"formula_anonymous": "AB3",
"energy": -86.45851929,
"energy_per_atom": -5.403657455625,
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"updated_at": "2021-11-28T01:35:10.054000Z",
"spacegroup": 163
},
{
"id": "mp-1186304",
"created_at": "2022-09-04T14:41:01.193911Z",
"structure_string": "Nd4 As8 Au4\n1.0\n4.098053 0.000000 0.000000\n0.000000 4.140666 0.000000\n0.000000 0.000000 20.892931\nNd As Au\n4 8 4\ndirect\n0.250000 0.227257 0.118241 Nd\n0.750000 0.727257 0.381759 Nd\n0.250000 0.272743 0.618241 Nd\n0.750000 0.772743 0.881759 Nd\n0.250000 0.701606 0.001773 As\n0.750000 0.727398 0.158045 As\n0.250000 0.227398 0.341955 As\n0.750000 0.201606 0.498227 As\n0.250000 0.798394 0.501773 As\n0.750000 0.772602 0.658045 As\n0.250000 0.272602 0.841955 As\n0.750000 0.298394 0.998227 As\n0.750000 0.224752 0.249828 Au\n0.250000 0.724752 0.250172 Au\n0.750000 0.275248 0.749828 Au\n0.250000 0.775248 0.750172 Au\n",
"nsites": 16,
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"elements": [
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"As",
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"chemical_system": "As-Au-Nd",
"density": 9.200029663477704,
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"volume": 354.52522479772324,
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"formula_full": "Nd4 As8 Au4",
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"updated_at": "2021-11-28T01:35:11.280000Z",
"spacegroup": 62
},
{
"id": "mp-761171",
"created_at": "2022-09-04T14:41:01.198808Z",
"structure_string": "Li4 Mn3 Cr2 Sb3 O16\n1.0\n3.063316 5.445515 0.000000\n-3.063316 5.445515 0.000000\n0.000000 0.510232 9.730980\nLi Mn Cr Sb O\n4 3 2 3 16\ndirect\n0.660378 0.660378 0.117073 Li\n0.987261 0.987261 0.016281 Li\n0.994406 0.994406 0.495935 Li\n0.322331 0.322331 0.596740 Li\n0.831833 0.831833 0.787318 Mn\n0.173482 0.661334 0.290080 Mn\n0.661334 0.173482 0.290080 Mn\n0.676587 0.676587 0.505536 Cr\n0.346961 0.346961 0.024652 Cr\n0.337096 0.831352 0.784991 Sb\n0.831352 0.337096 0.784991 Sb\n0.172273 0.172273 0.284570 Sb\n0.338503 0.851393 0.401878 O\n0.517536 0.517536 0.663578 O\n0.654344 0.654344 0.898830 O\n0.009995 0.009995 0.682592 O\n0.008068 0.008068 0.198451 O\n0.851393 0.338503 0.401878 O\n0.503940 0.958202 0.656858 O\n0.958202 0.503940 0.656858 O\n0.155880 0.155880 0.893745 O\n0.838369 0.838369 0.404475 O\n0.039629 0.468514 0.148881 O\n0.468514 0.039629 0.148881 O\n0.325119 0.325119 0.395113 O\n0.178356 0.680916 0.903182 O\n0.476441 0.476441 0.155523 O\n0.680916 0.178356 0.903182 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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"Sb",
"O"
],
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"density": 4.694605381289061,
"density_atomic": 0.08624634468847091,
"volume": 324.6514400249468,
"volume_molar": 6.9824881063104565,
"formula_full": "Li4 Mn3 Cr2 Sb3 O16",
"formula_reduced": "Li4Mn3Cr2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -204.90572439,
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"updated_at": "2021-11-28T01:35:13.179000Z",
"spacegroup": 8
},
{
"id": "mp-1211618",
"created_at": "2022-09-04T14:41:01.311010Z",
"structure_string": "K4 Sm4 S8 O32\n1.0\n7.246822 0.000000 0.000000\n0.000000 8.736339 0.000000\n0.000000 0.408964 10.649388\nK Sm S O\n4 4 8 32\ndirect\n0.349540 0.437365 0.842319 K\n0.650460 0.562635 0.157681 K\n0.849540 0.562635 0.657681 K\n0.150460 0.437365 0.342319 K\n0.168869 0.944259 0.848982 Sm\n0.831131 0.055741 0.151018 Sm\n0.668869 0.055741 0.651018 Sm\n0.331131 0.944259 0.348982 Sm\n0.166465 0.181159 0.609636 S\n0.833535 0.818841 0.390364 S\n0.666465 0.818841 0.890364 S\n0.333535 0.181159 0.109636 S\n0.343426 0.728939 0.589042 S\n0.656574 0.271061 0.410958 S\n0.843426 0.271061 0.910958 S\n0.156574 0.728939 0.089042 S\n0.817720 0.874413 0.519321 O\n0.182280 0.125587 0.480679 O\n0.317720 0.125587 0.980679 O\n0.682280 0.874413 0.019321 O\n0.511457 0.906360 0.823542 O\n0.488543 0.093640 0.176458 O\n0.011457 0.093640 0.676458 O\n0.988543 0.906360 0.323542 O\n0.139648 0.346135 0.608083 O\n0.860352 0.653865 0.391917 O\n0.639648 0.653865 0.891917 O\n0.360352 0.346135 0.108083 O\n0.246910 0.702687 0.965315 O\n0.753090 0.297313 0.034685 O\n0.746910 0.297313 0.534685 O\n0.253090 0.702687 0.465315 O\n0.445388 0.878811 0.561302 O\n0.554612 0.121189 0.438698 O\n0.945388 0.121189 0.938698 O\n0.054612 0.878811 0.061302 O\n0.468753 0.607016 0.629184 O\n0.531247 0.392984 0.370816 O\n0.968753 0.392984 0.870816 O\n0.031247 0.607016 0.129184 O\n0.832886 0.863784 0.809462 O\n0.167114 0.136216 0.190538 O\n0.332886 0.136216 0.690538 O\n0.667114 0.863784 0.309462 O\n0.199705 0.755851 0.686763 O\n0.800295 0.244149 0.313237 O\n0.699705 0.244149 0.813237 O\n0.300295 0.755851 0.186763 O\n",
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],
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"formula_full": "K4 Sm4 S8 O32",
"formula_reduced": "KSm(SO4)2",
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},
{
"id": "mp-1223126",
"created_at": "2022-09-04T14:41:01.528492Z",
"structure_string": "La3 Si7 Ni3\n1.0\n2.071419 -13.037498 0.000000\n2.071419 13.037498 0.000000\n0.000000 0.000000 4.221784\nLa Si Ni\n3 7 3\ndirect\n0.000889 0.999111 0.000000 La\n0.685870 0.314130 0.500000 La\n0.317886 0.682114 0.500000 La\n0.594019 0.405981 0.000000 Si\n0.408626 0.591374 0.000000 Si\n0.776461 0.223539 0.000000 Si\n0.224287 0.775713 0.000000 Si\n0.908591 0.091409 0.500000 Si\n0.094727 0.905273 0.500000 Si\n0.538508 0.461492 0.500000 Si\n0.866358 0.133642 0.000000 Ni\n0.132635 0.867365 0.000000 Ni\n0.451145 0.548855 0.500000 Ni\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "La-Ni-Si",
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"volume": 228.02801966792387,
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"formula_full": "La3 Si7 Ni3",
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},
{
"id": "mp-1211689",
"created_at": "2022-09-04T14:41:00.890874Z",
"structure_string": "Nd16 Sb28 Rh34\n1.0\n-6.159436 6.159436 10.888322\n6.159436 -6.159436 10.888322\n6.159436 6.159436 -10.888322\nNd Sb Rh\n16 28 34\ndirect\n0.911400 0.411400 0.967861 Nd\n0.443539 0.943539 0.032139 Nd\n0.411400 0.443539 0.500000 Nd\n0.943539 0.911400 0.500000 Nd\n0.169925 0.169925 0.000000 Nd\n0.669925 0.669925 0.000000 Nd\n0.171854 0.671854 0.500000 Nd\n0.671854 0.171854 0.500000 Nd\n0.675669 0.437680 0.257896 Nd\n0.179784 0.417773 0.742104 Nd\n0.437680 0.179784 0.762011 Nd\n0.679784 0.937680 0.762011 Nd\n0.417773 0.675669 0.237989 Nd\n0.175669 0.917773 0.237989 Nd\n0.917773 0.679784 0.742104 Nd\n0.937680 0.175669 0.257896 Nd\n0.222387 0.482386 0.237171 Sb\n0.245214 0.985215 0.762829 Sb\n0.482386 0.245214 0.259999 Sb\n0.745214 0.982386 0.259999 Sb\n0.985215 0.222387 0.740001 Sb\n0.722387 0.485215 0.740001 Sb\n0.485215 0.745214 0.762829 Sb\n0.982386 0.722387 0.237171 Sb\n0.171999 0.215051 0.273126 Sb\n0.941925 0.898873 0.726874 Sb\n0.215051 0.941925 0.043052 Sb\n0.441925 0.715051 0.043052 Sb\n0.898873 0.171999 0.956948 Sb\n0.671999 0.398873 0.956948 Sb\n0.398873 0.441925 0.726874 Sb\n0.715051 0.671999 0.273126 Sb\n0.377197 0.377197 0.000000 Sb\n0.877197 0.877197 0.000000 Sb\n0.118519 0.618519 0.676294 Sb\n0.942225 0.442225 0.323706 Sb\n0.618519 0.942225 0.500000 Sb\n0.442225 0.118519 0.500000 Sb\n0.375503 0.875503 0.500000 Sb\n0.875503 0.375503 0.500000 Sb\n0.108493 0.608493 0.983690 Sb\n0.624804 0.124804 0.016310 Sb\n0.608493 0.624804 0.500000 Sb\n0.124804 0.108493 0.500000 Sb\n0.382800 0.160811 0.309403 Rh\n0.851408 0.073396 0.690597 Rh\n0.160811 0.851408 0.778011 Rh\n0.351408 0.660811 0.778011 Rh\n0.073396 0.382800 0.221989 Rh\n0.882800 0.573396 0.221989 Rh\n0.573396 0.351408 0.690597 Rh\n0.660811 0.882800 0.309403 Rh\n0.915389 0.415389 0.737214 Rh\n0.678174 0.178174 0.262786 Rh\n0.415389 0.678174 0.500000 Rh\n0.178174 0.915389 0.500000 Rh\n0.667790 0.167790 0.748707 Rh\n0.419083 0.919083 0.251293 Rh\n0.167790 0.419083 0.500000 Rh\n0.919083 0.667790 0.500000 Rh\n0.211622 0.711622 0.956705 Rh\n0.754917 0.254917 0.043295 Rh\n0.711622 0.754917 0.500000 Rh\n0.254917 0.211622 0.500000 Rh\n0.419484 0.430207 0.245515 Rh\n0.184692 0.173969 0.754485 Rh\n0.430207 0.184692 0.010723 Rh\n0.684692 0.930207 0.010723 Rh\n0.173969 0.419484 0.989277 Rh\n0.919484 0.673969 0.989277 Rh\n0.673969 0.684692 0.754485 Rh\n0.930207 0.919484 0.245515 Rh\n0.432394 0.932394 0.752337 Rh\n0.180057 0.680057 0.247663 Rh\n0.932394 0.180057 0.500000 Rh\n0.680057 0.432394 0.500000 Rh\n0.003694 0.003694 0.000000 Rh\n0.503694 0.503694 0.000000 Rh\n",
"nsites": 78,
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"elements": [
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],
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"density": 9.261596322680772,
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"volume": 1652.3530298363248,
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"formula_full": "Nd16 Sb28 Rh34",
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"energy": -505.0657177,
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},
{
"id": "mp-761196",
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"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n8.506299 0.000000 0.000000\n0.016090 8.848832 0.000000\n0.486989 0.000027 12.379552\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.995562 0.997434 0.000253 Li\n0.000736 0.099642 0.751154 Li\n0.999297 0.998746 0.499220 Li\n0.990554 0.897060 0.249130 Li\n0.710625 0.806838 0.955118 Li\n0.707661 0.193398 0.451406 Li\n0.493982 0.503907 0.000293 Li\n0.500607 0.402997 0.749760 Li\n0.499939 0.501104 0.499256 Li\n0.495273 0.601206 0.248193 Li\n0.293241 0.806018 0.548598 Li\n0.290121 0.195203 0.050012 Li\n0.710903 0.007610 0.142858 Mn\n0.210137 0.496785 0.147509 Mn\n0.787203 0.499462 0.856467 V\n0.785538 0.500312 0.355824 V\n0.716175 0.996587 0.641966 V\n0.284094 0.997245 0.858249 V\n0.282678 0.002646 0.358484 V\n0.213868 0.500256 0.644325 V\n0.999640 0.796457 0.750421 P\n0.995692 0.198871 0.249493 P\n0.844372 0.354965 0.604390 P\n0.848624 0.642940 0.104861 P\n0.651332 0.146946 0.895220 P\n0.650686 0.852255 0.397605 P\n0.500997 0.707535 0.750141 P\n0.495334 0.295717 0.251969 P\n0.350527 0.147113 0.602999 P\n0.355150 0.854955 0.103226 P\n0.157005 0.355159 0.894309 P\n0.156132 0.645525 0.396396 P\n0.989261 0.414521 0.895207 O\n0.988901 0.587167 0.393585 O\n0.932466 0.906320 0.664699 O\n0.921886 0.089407 0.164228 O\n0.873133 0.702272 0.811090 O\n0.871844 0.296058 0.310307 O\n0.855081 0.178583 0.589875 O\n0.862271 0.818144 0.090951 O\n0.750474 0.404091 0.707486 O\n0.751245 0.059933 0.977537 O\n0.747015 0.408617 0.507060 O\n0.755451 0.594372 0.208541 O\n0.747006 0.936865 0.483725 O\n0.725186 0.097785 0.784527 O\n0.750756 0.588558 0.008878 O\n0.729070 0.901701 0.289276 O\n0.655594 0.321570 0.909409 O\n0.653665 0.677513 0.412049 O\n0.619098 0.805203 0.687275 O\n0.613737 0.204144 0.183971 O\n0.571968 0.600763 0.836743 O\n0.566806 0.404392 0.336129 O\n0.526258 0.106527 0.590541 O\n0.532997 0.898028 0.091154 O\n0.474510 0.108128 0.907406 O\n0.473825 0.893410 0.408725 O\n0.429925 0.600071 0.664538 O\n0.419256 0.403081 0.165572 O\n0.381129 0.805675 0.812750 O\n0.379436 0.196193 0.315409 O\n0.346580 0.321592 0.589563 O\n0.356776 0.681820 0.089524 O\n0.274726 0.095588 0.712650 O\n0.258152 0.406890 0.989658 O\n0.279393 0.906118 0.212674 O\n0.251577 0.062712 0.518138 O\n0.248493 0.403278 0.789859 O\n0.252284 0.590997 0.493734 O\n0.256835 0.941060 0.018688 O\n0.253592 0.600840 0.293601 O\n0.142578 0.178750 0.906968 O\n0.144438 0.821739 0.411682 O\n0.126847 0.702505 0.689918 O\n0.123313 0.284826 0.184651 O\n0.067488 0.905920 0.836621 O\n0.062770 0.088113 0.335095 O\n0.012613 0.411822 0.604805 O\n0.018615 0.583443 0.104427 O\n",
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"formula_full": "Li12 Mn2 V6 P12 O48",
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{
"id": "mp-1273032",
"created_at": "2022-09-04T14:41:00.955015Z",
"structure_string": "Na8 Co4 O12\n1.0\n2.984159 4.520084 -0.148033\n-4.991042 4.321394 5.389316\n3.690462 -0.027533 5.221120\nNa Co O\n8 4 12\ndirect\n0.503139 0.500338 0.000303 Na\n0.996453 0.999498 0.499678 Na\n0.998123 0.000095 0.999311 Na\n0.502108 0.499692 0.500628 Na\n0.000592 0.318851 0.166091 Na\n0.498026 0.820020 0.664722 Na\n0.001672 0.679939 0.835265 Na\n0.499468 0.181063 0.333941 Na\n0.476505 0.857174 0.166143 Co\n0.519999 0.145026 0.833104 Co\n0.980248 0.354982 0.666973 Co\n0.023449 0.642795 0.333814 Co\n0.273996 0.740721 0.056959 O\n0.774050 0.241349 0.557073 O\n0.726260 0.258609 0.943054 O\n0.225988 0.759315 0.442968 O\n0.183193 0.408444 0.806563 O\n0.679075 0.910833 0.305611 O\n0.807023 0.579947 0.622330 O\n0.302598 0.081282 0.121487 O\n0.820888 0.589198 0.194378 O\n0.316715 0.092044 0.693519 O\n0.197490 0.418724 0.378516 O\n0.692942 0.920062 0.877570 O\n",
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{
"id": "mp-1233295",
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"structure_string": "Ba4 Ca1 Rh4 O12\n1.0\n6.025778 -0.109300 -0.134259\n-3.107446 5.179742 0.128060\n-0.220057 0.114001 10.618814\nBa Ca Rh O\n4 1 4 12\ndirect\n0.668475 0.329710 0.725603 Ba\n0.259799 0.740419 0.302573 Ba\n0.972573 0.026973 0.499462 Ba\n0.030418 0.968804 0.911401 Ba\n0.518839 0.478291 0.142928 Ca\n0.351779 0.648930 0.878463 Rh\n0.638889 0.361402 0.402498 Rh\n0.788724 0.212025 0.098966 Rh\n0.323819 0.674402 0.615783 Rh\n0.171215 0.372602 0.744106 O\n0.791011 0.209124 0.278953 O\n0.309197 0.207745 0.300663 O\n0.626129 0.828037 0.743480 O\n0.184353 0.814170 0.740538 O\n0.789986 0.690352 0.300643 O\n0.499302 0.005671 0.505243 O\n0.532750 0.471881 0.940744 O\n0.498996 0.958444 0.001600 O\n0.495695 0.495641 0.531728 O\n0.992248 0.502678 0.505838 O\n0.045385 0.502699 0.003790 O\n",
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{
"id": "mp-1034815",
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"structure_string": "Mg14 Cr1 Si1 O16\n1.0\n8.648060 0.000000 0.000000\n0.000000 8.648060 0.000000\n0.000000 0.000000 4.263910\nMg Cr Si O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.253296 0.500000 Mg\n0.000000 0.746704 0.500000 Mg\n0.500000 0.246267 0.500000 Mg\n0.500000 0.753733 0.500000 Mg\n0.253296 0.000000 0.500000 Mg\n0.246267 0.500000 0.500000 Mg\n0.746704 0.000000 0.500000 Mg\n0.753733 0.500000 0.500000 Mg\n0.250432 0.250432 0.000000 Mg\n0.250432 0.749568 0.000000 Mg\n0.749568 0.250432 0.000000 Mg\n0.749568 0.749568 0.000000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Si\n0.260338 0.000000 0.000000 O\n0.242781 0.500000 0.000000 O\n0.739662 0.000000 0.000000 O\n0.757219 0.500000 0.000000 O\n0.249971 0.249971 0.500000 O\n0.249971 0.750029 0.500000 O\n0.750029 0.249971 0.500000 O\n0.750029 0.750029 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.260338 0.000000 O\n0.000000 0.739662 0.000000 O\n0.500000 0.242781 0.000000 O\n0.500000 0.757219 0.000000 O\n",
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{
"id": "mp-1026731",
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"structure_string": "Cs1 Rb1 Mg14\n1.0\n6.741929 0.025673 0.000000\n-3.348731 5.800172 0.000000\n0.000000 0.000000 11.293229\nCs Rb Mg\n1 1 14\ndirect\n0.287739 0.893869 0.125000 Cs\n0.281591 0.390795 0.125000 Rb\n0.101392 0.300695 0.625000 Mg\n0.101762 0.800881 0.625000 Mg\n0.784052 0.394590 0.125000 Mg\n0.645300 0.322786 0.625000 Mg\n0.784052 0.889461 0.125000 Mg\n0.645300 0.822513 0.625000 Mg\n0.296924 0.151254 0.422890 Mg\n0.296924 0.151254 0.827110 Mg\n0.296924 0.645671 0.422890 Mg\n0.296924 0.645671 0.827110 Mg\n0.797497 0.148749 0.379042 Mg\n0.797497 0.148749 0.870958 Mg\n0.793062 0.646531 0.380342 Mg\n0.793062 0.646531 0.869658 Mg\n",
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],
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]
}