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{
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"results": [
{
"id": "mp-886023",
"created_at": "2022-09-04T14:47:23.031859Z",
"structure_string": "Li5 Fe3 Sb2 O10\n1.0\n5.356240 0.000000 0.000000\n-0.996376 5.271683 0.000000\n-1.797215 -2.943654 7.483243\nLi Fe Sb O\n5 3 2 10\ndirect\n0.293100 0.628284 0.601663 Li\n0.094231 0.206411 0.204558 Li\n0.000000 0.000000 0.500000 Li\n0.905769 0.793589 0.795442 Li\n0.706900 0.371716 0.398337 Li\n0.500000 0.000000 0.000000 Fe\n0.796250 0.599626 0.102428 Fe\n0.203750 0.400374 0.897572 Fe\n0.409506 0.809677 0.300284 Sb\n0.590494 0.190323 0.699716 Sb\n0.923583 0.897888 0.156768 O\n0.635065 0.277922 0.064386 O\n0.873605 0.685278 0.453704 O\n0.727987 0.457489 0.759033 O\n0.557174 0.099100 0.343712 O\n0.442826 0.900900 0.656288 O\n0.272013 0.542511 0.240967 O\n0.126395 0.314722 0.546296 O\n0.364935 0.722078 0.935614 O\n0.076417 0.102112 0.843232 O\n",
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{
"id": "mp-1095972",
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"structure_string": "Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
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"formula_full": "Sr2 Hg1 Ge1",
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"updated_at": "2021-11-28T01:38:06.774000Z",
"spacegroup": 71
},
{
"id": "mp-1217970",
"created_at": "2022-09-04T14:47:22.479171Z",
"structure_string": "Sr1 Si1 Ni1\n1.0\n1.992508 -3.451124 0.000000\n1.992508 3.451124 0.000000\n0.000000 0.000000 4.755983\nSr Si Ni\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 3,
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"elements": [
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"density": 4.427534070822728,
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"volume": 65.40800860923781,
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"formula_full": "Sr1 Si1 Ni1",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:38:02.281000Z",
"spacegroup": 187
},
{
"id": "mp-1221947",
"created_at": "2022-09-04T14:47:22.479144Z",
"structure_string": "Mn4 Co1 Sb4 Ir3\n1.0\n-3.024887 -3.024887 0.000000\n0.000000 3.024887 -3.024887\n6.013509 -9.038396 -9.038396\nMn Co Sb Ir\n4 1 4 3\ndirect\n0.245059 0.622529 0.132412 Mn\n0.756116 0.878058 0.365825 Mn\n0.252555 0.126277 0.621168 Mn\n0.747954 0.373977 0.878069 Mn\n0.870376 0.935188 0.194436 Co\n0.002711 0.501355 0.495934 Sb\n0.498729 0.749365 0.751906 Sb\n0.991197 0.995599 0.013204 Sb\n0.507179 0.253590 0.239231 Sb\n0.380436 0.190218 0.429346 Ir\n0.875359 0.437679 0.686962 Ir\n0.372329 0.686164 0.941507 Ir\n",
"nsites": 12,
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"elements": [
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"Sb",
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],
"chemical_system": "Co-Ir-Mn-Sb",
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"density_atomic": 0.05444032494247862,
"volume": 220.42484156145542,
"volume_molar": 11.061911857364857,
"formula_full": "Mn4 Co1 Sb4 Ir3",
"formula_reduced": "Mn4CoSb4Ir3",
"formula_anonymous": "AB3C4D4",
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"updated_at": "2021-11-28T01:38:08.254000Z",
"spacegroup": 160
},
{
"id": "mp-1096166",
"created_at": "2022-09-04T14:47:22.501810Z",
"structure_string": "Be1 Al1 Co2\n1.0\n-4.564963 4.767122 6.744159\n4.564963 -4.767122 6.744159\n4.564963 4.767122 -6.744159\nBe Al Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Al\n0.000000 0.239337 0.239337 Co\n0.000000 0.760663 0.760663 Co\n",
"nsites": 4,
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"density_atomic": 0.006813631954673297,
"volume": 587.0584185658138,
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"formula_full": "Be1 Al1 Co2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:07.653000Z",
"spacegroup": 71
},
{
"id": "mp-1208462",
"created_at": "2022-09-04T14:47:22.515050Z",
"structure_string": "Tb6 Ge8\n1.0\n2.044883 -5.373742 0.000000\n2.044883 5.373742 0.000000\n0.000000 0.000000 14.362289\nTb Ge\n6 8\ndirect\n0.668000 0.332000 0.096849 Tb\n0.332000 0.668000 0.903151 Tb\n0.332000 0.668000 0.596849 Tb\n0.668000 0.332000 0.403151 Tb\n0.951987 0.048013 0.250000 Tb\n0.048013 0.951987 0.750000 Tb\n0.378612 0.621388 0.108670 Ge\n0.621388 0.378612 0.891330 Ge\n0.621388 0.378612 0.608670 Ge\n0.378612 0.621388 0.391330 Ge\n0.224173 0.775827 0.250000 Ge\n0.775827 0.224173 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 14,
"nelements": 2,
"elements": [
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"Ge"
],
"chemical_system": "Ge-Tb",
"density": 8.073572734094133,
"density_atomic": 0.04435362318808103,
"volume": 315.64501372600745,
"volume_molar": 13.577562163215351,
"formula_full": "Tb6 Ge8",
"formula_reduced": "Tb3Ge4",
"formula_anonymous": "A3B4",
"energy": -75.90664103,
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"updated_at": "2021-11-28T01:38:05.780000Z",
"spacegroup": 63
},
{
"id": "mp-1217331",
"created_at": "2022-09-04T14:47:22.452036Z",
"structure_string": "Th2 Ir2 Os2\n1.0\n-2.614988 2.768339 3.983153\n2.614988 -2.768339 3.983153\n2.614988 2.768339 -3.983153\nTh Ir Os\n2 2 2\ndirect\n0.127651 0.877651 0.250000 Th\n0.872349 0.122349 0.750000 Th\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n",
"nsites": 6,
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"elements": [
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],
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"density": 17.693529320010914,
"density_atomic": 0.05202059305222908,
"volume": 115.33893883093477,
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"formula_full": "Th2 Ir2 Os2",
"formula_reduced": "ThIrOs",
"formula_anonymous": "ABC",
"energy": -58.21941631,
"energy_per_atom": -9.703236051666666,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:01.959000Z",
"spacegroup": 74
},
{
"id": "mp-1076598",
"created_at": "2022-09-04T14:47:22.453252Z",
"structure_string": "La7 Sm1 Mn2 Fe6 O24\n1.0\n5.530454 -5.591326 0.000000\n5.530454 5.591326 0.000000\n0.000000 0.000000 7.875194\nLa Sm Mn Fe O\n7 1 2 6 24\ndirect\n0.000000 0.500000 0.754878 La\n0.500000 0.500000 0.760229 La\n0.000000 0.500000 0.245021 La\n0.500000 0.500000 0.246503 La\n0.500000 0.000000 0.754878 La\n0.000000 0.000000 0.239627 La\n0.500000 0.000000 0.245021 La\n0.000000 0.000000 0.757589 Sm\n0.249381 0.750619 0.500461 Mn\n0.750619 0.249381 0.500461 Mn\n0.750030 0.750030 0.999788 Fe\n0.249465 0.750535 0.999419 Fe\n0.750764 0.750764 0.500601 Fe\n0.750535 0.249465 0.999419 Fe\n0.249970 0.249970 0.999788 Fe\n0.249236 0.249236 0.500601 Fe\n0.751933 0.495267 0.001396 O\n0.248067 0.504733 0.001396 O\n0.750892 0.495418 0.500879 O\n0.249108 0.504582 0.500879 O\n0.751048 0.004328 0.995573 O\n0.248952 0.995672 0.995573 O\n0.751128 0.004580 0.501088 O\n0.248872 0.995420 0.501088 O\n0.753356 0.753356 0.741386 O\n0.248631 0.751369 0.744415 O\n0.749210 0.749210 0.258871 O\n0.248958 0.751042 0.255311 O\n0.751369 0.248631 0.744415 O\n0.246644 0.246644 0.741386 O\n0.751042 0.248958 0.255311 O\n0.250790 0.250790 0.258871 O\n0.004328 0.751048 0.995573 O\n0.495267 0.751933 0.001396 O\n0.004580 0.751128 0.501088 O\n0.495418 0.750892 0.500879 O\n0.995672 0.248952 0.995573 O\n0.504733 0.248067 0.001396 O\n0.995420 0.248872 0.501088 O\n0.504582 0.249108 0.500879 O\n",
"nsites": 40,
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],
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"formula_full": "La7 Sm1 Mn2 Fe6 O24",
"formula_reduced": "La7SmMn2(FeO4)6",
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{
"id": "mp-1210842",
"created_at": "2022-09-04T14:47:22.454419Z",
"structure_string": "Lu2 I2 O1\n1.0\n4.180958 0.000000 0.000000\n0.000000 4.180958 0.000000\n0.000000 0.000000 15.317711\nLu I O\n2 2 1\ndirect\n0.500000 0.500000 0.129724 Lu\n0.500000 0.500000 0.870276 Lu\n0.500000 0.500000 0.687999 I\n0.500000 0.500000 0.312001 I\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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],
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"volume": 267.75986544371744,
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"formula_full": "Lu2 I2 O1",
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{
"id": "mp-1207849",
"created_at": "2022-09-04T14:47:23.175847Z",
"structure_string": "Y2 Mn1 Si2\n1.0\n2.891492 0.000000 0.000000\n0.000000 2.891492 0.000000\n0.000000 0.000000 13.764196\nY Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.623762 Y\n0.500000 0.500000 0.376238 Y\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.168140 Si\n0.500000 0.500000 0.831860 Si\n",
"nsites": 5,
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],
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"volume": 115.07867117447815,
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"formula_full": "Y2 Mn1 Si2",
"formula_reduced": "Y2MnSi2",
"formula_anonymous": "AB2C2",
"energy": -28.4902527,
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"spacegroup": 123
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{
"id": "mp-1336",
"created_at": "2022-09-04T14:47:22.477978Z",
"structure_string": "Pd2 O2\n1.0\n3.095951 0.000000 0.000000\n0.000000 3.095951 0.000000\n0.000000 0.000000 5.442299\nPd O\n2 2\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n",
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"formula_full": "Pd2 O2",
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},
{
"id": "mp-1217020",
"created_at": "2022-09-04T14:47:22.483539Z",
"structure_string": "Ti1 Al1 Fe2\n1.0\n2.931225 0.000000 0.000000\n0.000000 2.931225 0.000000\n0.000000 0.000000 5.757742\nTi Al Fe\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.248181 Fe\n0.500000 0.500000 0.751819 Fe\n",
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}
]
}