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{
"id": "mp-24479",
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"structure_string": "Sr2 H4 Br4 O14\n1.0\n3.896260 6.538074 0.000000\n-3.896260 6.538074 0.000000\n0.000000 6.145223 6.582520\nSr H Br O\n2 4 4 14\ndirect\n0.648566 0.351434 0.750000 Sr\n0.351434 0.648566 0.250000 Sr\n0.285206 0.782576 0.634733 H\n0.217424 0.714794 0.865267 H\n0.714794 0.217424 0.365267 H\n0.782576 0.285206 0.134733 H\n0.213897 0.170192 0.804536 Br\n0.829808 0.786103 0.695464 Br\n0.786103 0.829808 0.195464 Br\n0.170192 0.213897 0.304536 Br\n0.324116 0.675884 0.750000 O\n0.675884 0.324116 0.250000 O\n0.099128 0.276901 0.487058 O\n0.723099 0.900872 0.012942 O\n0.900872 0.723099 0.512942 O\n0.276901 0.099128 0.987058 O\n0.255193 0.933159 0.399768 O\n0.066841 0.744807 0.100232 O\n0.744807 0.066841 0.600232 O\n0.933159 0.255193 0.899768 O\n0.404012 0.310399 0.121918 O\n0.689601 0.595988 0.378082 O\n0.595988 0.689601 0.878082 O\n0.310399 0.404012 0.621918 O\n",
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{
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"volume": 191.02238584655188,
"volume_molar": 8.848951506761287,
"formula_full": "Ho1 Ga6 Fe6",
"formula_reduced": "Ho(GaFe)6",
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"energy": -75.83231435,
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"updated_at": "2021-11-28T01:34:25.580000Z",
"spacegroup": 69
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{
"id": "mp-980059",
"created_at": "2022-09-04T14:39:12.944126Z",
"structure_string": "Tb1 Pm1 Rh2\n1.0\n0.000000 3.497227 3.497227\n3.497227 0.000000 3.497227\n3.497227 3.497227 0.000000\nTb Pm Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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"volume": 85.54634593746289,
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"formula_full": "Tb1 Pm1 Rh2",
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"updated_at": "2021-11-28T01:34:26.239000Z",
"spacegroup": 225
},
{
"id": "mp-18895",
"created_at": "2022-09-04T14:39:12.949513Z",
"structure_string": "K2 Co2 O4\n1.0\n-2.909995 2.909995 3.691109\n2.909995 -2.909995 3.691109\n2.909995 2.909995 -3.691109\nK Co O\n2 2 4\ndirect\n0.750000 0.250000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.250000 0.750000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.244597 0.625000 0.119597 O\n0.875000 0.755403 0.380403 O\n0.375000 0.494597 0.619597 O\n0.505403 0.125000 0.880403 O\n",
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"elements": [
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"density": 3.453999686409289,
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"formula_full": "K2 Co2 O4",
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"updated_at": "2021-11-28T01:34:33.461000Z",
"spacegroup": 122
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{
"id": "mp-1025313",
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"structure_string": "Ti1 Ga5 Ni1\n1.0\n4.141011 0.000000 0.000000\n0.000000 4.141011 0.000000\n0.000000 0.000000 6.425501\nTi Ga Ni\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.293404 Ga\n0.000000 0.500000 0.706596 Ga\n0.500000 0.000000 0.293404 Ga\n0.500000 0.000000 0.706596 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ni\n",
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"volume": 110.18431189015058,
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"formula_full": "Ti1 Ga5 Ni1",
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"formula_anonymous": "ABC5",
"energy": -31.05927878,
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"updated_at": "2021-11-28T01:34:43.906000Z",
"spacegroup": 123
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{
"id": "mp-1220528",
"created_at": "2022-09-04T14:39:12.958922Z",
"structure_string": "Nd4 V2 Fe2 O12\n1.0\n5.699668 0.000000 0.000000\n0.000000 5.500205 0.000000\n0.000000 5.470654 7.867168\nNd V Fe O\n4 2 2 12\ndirect\n0.555645 0.764398 0.749559 Nd\n0.055645 0.235602 0.750441 Nd\n0.444355 0.235602 0.250441 Nd\n0.944355 0.764398 0.249559 Nd\n0.500000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.702745 0.245866 0.050719 O\n0.202745 0.754134 0.449281 O\n0.295783 0.152849 0.549550 O\n0.795783 0.847151 0.950450 O\n0.297255 0.754134 0.949281 O\n0.797255 0.245866 0.550719 O\n0.704217 0.847151 0.450450 O\n0.204217 0.152849 0.049550 O\n0.472942 0.342608 0.751785 O\n0.972942 0.657392 0.748215 O\n0.527058 0.657392 0.248215 O\n0.027058 0.342608 0.251785 O\n",
"nsites": 20,
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"elements": [
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"formula_full": "Nd4 V2 Fe2 O12",
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{
"id": "mp-1105082",
"created_at": "2022-09-04T14:39:12.960298Z",
"structure_string": "Tb1 Cr6 Ge6\n1.0\n-2.557959 -4.430515 0.000000\n-2.558626 4.430900 0.000000\n0.000000 0.000000 -8.327228\nTb Cr Ge\n1 6 6\ndirect\n0.999980 0.000000 0.000000 Tb\n0.499988 0.000000 0.250503 Cr\n0.499989 0.500001 0.250450 Cr\n0.999988 0.499999 0.250450 Cr\n0.499988 0.000000 0.749497 Cr\n0.499989 0.500001 0.749550 Cr\n0.999988 0.499999 0.749550 Cr\n0.333244 0.666522 0.000000 Ge\n0.666722 0.333478 0.000000 Ge\n0.333257 0.666556 0.500000 Ge\n0.666701 0.333444 0.500000 Ge\n0.999984 0.000000 0.346126 Ge\n0.999984 0.000000 0.653874 Ge\n",
"nsites": 13,
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"Cr",
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],
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"density": 7.9758885917680535,
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"volume": 188.77901991435567,
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"formula_full": "Tb1 Cr6 Ge6",
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"energy": -92.77352634,
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"updated_at": "2021-11-28T01:34:33.680000Z",
"spacegroup": 191
},
{
"id": "mp-976319",
"created_at": "2022-09-04T14:39:12.962352Z",
"structure_string": "Na1 Ho3\n1.0\n5.005563 0.000000 0.000000\n0.000000 5.005563 0.000000\n0.000000 0.000000 5.005563\nNa Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n",
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{
"id": "mp-19590",
"created_at": "2022-09-04T14:39:12.941126Z",
"structure_string": "Fe2 Sb8 C12 O12 F44\n1.0\n9.944078 0.000806 0.000000\n-3.786953 10.130015 0.000000\n0.000000 0.000000 12.680306\nFe Sb C O F\n2 8 12 12 44\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.484606 0.724066 0.867658 Sb\n0.515394 0.275934 0.132342 Sb\n0.015394 0.775934 0.367658 Sb\n0.984606 0.224066 0.632342 Sb\n0.901471 0.502454 0.797858 Sb\n0.598529 0.997546 0.297858 Sb\n0.098530 0.497546 0.202142 Sb\n0.401471 0.002454 0.702142 Sb\n0.864908 0.834880 0.049905 C\n0.978289 0.930971 0.858459 C\n0.521711 0.569029 0.358459 C\n0.021711 0.069029 0.141541 C\n0.478289 0.430971 0.641542 C\n0.152804 0.932392 0.021563 C\n0.347196 0.567608 0.521563 C\n0.847196 0.067609 0.978437 C\n0.364907 0.334880 0.450095 C\n0.135093 0.165120 0.950095 C\n0.635093 0.665120 0.549905 C\n0.652804 0.432392 0.478437 C\n0.285266 0.237236 0.421829 O\n0.240947 0.889317 0.031117 O\n0.259052 0.610683 0.531117 O\n0.759052 0.110683 0.968883 O\n0.740947 0.389317 0.468883 O\n0.785266 0.737236 0.078171 O\n0.714733 0.762764 0.578171 O\n0.214734 0.262764 0.921829 O\n0.032581 0.112326 0.223888 O\n0.467420 0.387675 0.723888 O\n0.532581 0.612326 0.276112 O\n0.967420 0.887675 0.776112 O\n0.572794 0.104441 0.771530 F\n0.927206 0.395560 0.271529 F\n0.427206 0.895559 0.228470 F\n0.072794 0.604441 0.728470 F\n0.292058 0.056244 0.806161 F\n0.207942 0.443756 0.306161 F\n0.707943 0.943757 0.193839 F\n0.792057 0.556243 0.693839 F\n0.568496 0.599097 0.908776 F\n0.931504 0.900903 0.408776 F\n0.431504 0.400902 0.091223 F\n0.068495 0.099097 0.591223 F\n0.451261 0.654301 0.726508 F\n0.048740 0.845699 0.226508 F\n0.548740 0.345700 0.273492 F\n0.001196 0.420336 0.884520 F\n0.665577 0.846166 0.820307 F\n0.834422 0.653835 0.320307 F\n0.334423 0.153835 0.179693 F\n0.165577 0.346165 0.679693 F\n0.519516 0.817585 0.997509 F\n0.980483 0.682416 0.497509 F\n0.480484 0.182416 0.002491 F\n0.019516 0.317584 0.502491 F\n0.295716 0.620430 0.907143 F\n0.498804 0.079664 0.384520 F\n0.704284 0.379570 0.092857 F\n0.795716 0.120431 0.592857 F\n0.998803 0.579664 0.115479 F\n0.501196 0.920336 0.615479 F\n0.725044 0.382318 0.848214 F\n0.774956 0.117681 0.348214 F\n0.274956 0.617681 0.151786 F\n0.225045 0.882319 0.651786 F\n0.911006 0.642187 0.892548 F\n0.588994 0.857813 0.392548 F\n0.088994 0.357813 0.107452 F\n0.411006 0.142187 0.607452 F\n0.893429 0.357773 0.684116 F\n0.606571 0.142227 0.184116 F\n0.106570 0.642227 0.315884 F\n0.393429 0.857773 0.815884 F\n0.204284 0.879569 0.407143 F\n0.951260 0.154301 0.773492 F\n",
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{
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{
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}