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{
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"results": [
{
"id": "jvasp-16870",
"created_at": "2022-09-04T14:38:33.232571Z",
"updated_at": "2022-09-04T14:38:33.232587Z",
"structure_string": "Ho2 Si2\n1.0\n3.828351 -0.000000 -0.000000\n0.000000 3.947407 -1.594161\n0.000000 -0.009923 5.659727\nHo Si\n2 2\ndirect\n0.250000 0.859510 0.719019 Ho\n0.750000 0.140492 0.280983 Ho\n0.250000 0.578145 0.156290 Si\n0.750000 0.421856 0.843711 Si\n",
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{
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"updated_at": "2022-09-04T14:38:33.341934Z",
"structure_string": "U2\n1.0\n2.807465 0.000000 0.000000\n-1.403732 2.958954 0.000000\n0.000000 0.000000 4.904591\nU\n2\ndirect\n0.096884 0.193769 0.750000 U\n0.903117 0.806230 0.250000 U\n",
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"spacegroup": 63
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{
"id": "jvasp-56705",
"created_at": "2022-09-04T14:38:33.469768Z",
"updated_at": "2022-09-04T14:38:33.469790Z",
"structure_string": "Zr2 Mn2 Tl2 F14\n1.0\n0.000000 6.452957 -0.019694\n8.322917 0.000000 0.000000\n0.000000 -2.982258 -5.722211\nZr Mn Tl F\n2 2 2 14\ndirect\n0.309964 0.750000 0.190219 Zr\n0.690035 0.250000 0.809781 Zr\n0.691282 0.750000 0.808876 Mn\n0.308718 0.250000 0.191123 Mn\n-0.000000 0.500000 0.500000 Tl\n-0.000000 0.000000 0.500000 Tl\n0.335753 0.750000 0.531374 F\n0.503342 0.250000 0.996300 F\n0.699047 0.004914 0.800890 F\n0.338302 0.250000 0.556133 F\n0.496658 0.750000 0.003699 F\n0.300953 0.995086 0.199109 F\n0.664246 0.250000 0.468625 F\n0.968778 0.750000 0.164336 F\n0.661698 0.750000 0.443866 F\n0.031222 0.250000 0.835663 F\n0.699047 0.495086 0.800890 F\n0.056431 0.750000 0.838471 F\n0.300953 0.504915 0.199109 F\n0.943569 0.250000 0.161529 F\n",
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"volume": 307.81404753074446,
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"formula_full": "Zr2 Mn2 Tl2 F14",
"formula_reduced": "ZrMnTlF7",
"formula_anonymous": "ABCD7",
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"spacegroup": 63
},
{
"id": "jvasp-11084",
"created_at": "2022-09-04T14:38:33.669858Z",
"updated_at": "2022-09-04T14:38:33.669884Z",
"structure_string": "K4 Ti2 O6\n1.0\n5.478603 0.000000 0.000000\n0.000000 5.724110 -2.147976\n-0.000000 0.011034 6.113845\nK Ti O\n4 2 6\ndirect\n0.250000 0.486758 0.811672 K\n0.250000 0.811672 0.486759 K\n0.750000 0.513241 0.188327 K\n0.750000 0.188327 0.513241 K\n0.750000 0.914281 0.914282 Ti\n0.250000 0.085718 0.085718 Ti\n0.750000 0.659688 0.659688 O\n0.250000 0.340312 0.340312 O\n0.500000 0.127272 0.872727 O\n0.000000 0.872727 0.127273 O\n0.000000 0.127272 0.872727 O\n0.500000 0.872727 0.127273 O\n",
"nsites": 12,
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"elements": [
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"Ti",
"O"
],
"chemical_system": "K-O-Ti",
"density": 3.0129804728804928,
"density_atomic": 0.06254534603602194,
"volume": 191.86079797350234,
"volume_molar": 9.628439431019615,
"formula_full": "K4 Ti2 O6",
"formula_reduced": "K2TiO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2602858055555552,
"spacegroup": 63
},
{
"id": "jvasp-119472",
"created_at": "2022-09-04T14:38:33.806370Z",
"updated_at": "2022-09-04T14:38:33.806400Z",
"structure_string": "Ba2 Zn4 Cu4 As6\n1.0\n6.683574 0.013213 0.000000\n-5.361798 3.990170 0.000000\n-0.000000 -0.000000 12.245006\nBa Zn Cu As\n2 4 4 6\ndirect\n0.178760 0.821239 0.250000 Ba\n0.821238 0.178760 0.750000 Ba\n0.831691 0.168307 0.057381 Zn\n0.168307 0.831692 0.942619 Zn\n0.168307 0.831692 0.557382 Zn\n0.831691 0.168307 0.442619 Zn\n0.454907 0.545091 0.145109 Cu\n0.545091 0.454908 0.854891 Cu\n0.545091 0.454908 0.645109 Cu\n0.454907 0.545091 0.354891 Cu\n0.623435 0.376564 0.046072 As\n0.376564 0.623435 0.953929 As\n0.376564 0.623435 0.546072 As\n0.623435 0.376564 0.453928 As\n0.905362 0.094636 0.250000 As\n0.094637 0.905363 0.750000 As\n",
"nsites": 16,
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"elements": [
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"Cu",
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],
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"density": 6.288697469615739,
"density_atomic": 0.048866208288000916,
"volume": 327.4246265579152,
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"formula_full": "Ba2 Zn4 Cu4 As6",
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"spacegroup": 63
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{
"id": "jvasp-9080",
"created_at": "2022-09-04T14:38:34.249119Z",
"updated_at": "2022-09-04T14:38:34.249154Z",
"structure_string": "Hf2 Te10\n1.0\n4.012571 0.000000 0.000000\n-2.006286 7.367970 -0.000000\n0.000000 -0.000000 13.861501\nHf Te\n2 10\ndirect\n0.685665 0.371331 0.250000 Hf\n0.314334 0.628669 0.750000 Hf\n0.209088 0.418179 0.934242 Te\n0.790910 0.581821 0.065758 Te\n0.663965 0.327931 0.750000 Te\n0.336033 0.672069 0.250000 Te\n0.927674 0.855350 0.850890 Te\n0.072325 0.144650 0.149110 Te\n0.072325 0.144650 0.350890 Te\n0.927674 0.855350 0.649110 Te\n0.209088 0.418179 0.565758 Te\n0.790910 0.581821 0.434242 Te\n",
"nsites": 12,
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"elements": [
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"Te"
],
"chemical_system": "Hf-Te",
"density": 6.616817000082254,
"density_atomic": 0.029281977761951777,
"volume": 409.8083844456873,
"volume_molar": 20.56603146466769,
"formula_full": "Hf2 Te10",
"formula_reduced": "HfTe5",
"formula_anonymous": "AB5",
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"spacegroup": 63
},
{
"id": "jvasp-38018",
"created_at": "2022-09-04T14:38:33.863207Z",
"updated_at": "2022-09-04T14:38:33.863231Z",
"structure_string": "Al2 Ag4\n1.0\n5.057840 -0.061883 0.000000\n-2.582513 4.349276 0.000000\n0.000000 0.000000 4.628089\nAl Ag\n2 4\ndirect\n0.016561 0.016561 0.000000 Al\n0.650237 0.650237 0.500000 Al\n0.682308 0.360827 0.000000 Ag\n0.360827 0.682309 0.000000 Ag\n0.305945 0.984458 0.500000 Ag\n0.984458 0.305945 0.500000 Ag\n",
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"elements": [
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"density": 7.975608903864504,
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"volume": 101.06880216120669,
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"formula_full": "Al2 Ag4",
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"spacegroup": 63
},
{
"id": "jvasp-33979",
"created_at": "2022-09-04T14:38:33.933242Z",
"updated_at": "2022-09-04T14:38:33.933265Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-0.352353 -5.950695 0.000009\n0.000003 -0.000016 13.951637\n-4.973492 3.272952 -0.000004\nTe Mo S\n8 6 4\ndirect\n0.998415 0.880654 0.682006 Te\n0.998420 0.119350 0.316405 Te\n0.998416 0.619347 0.682006 Te\n0.334908 0.880653 0.350260 Te\n0.334917 0.380651 0.984658 Te\n0.334918 0.119350 0.984658 Te\n0.334910 0.619347 0.350260 Te\n0.998419 0.380650 0.316405 Te\n0.354723 0.250000 0.339073 Mo\n0.666665 0.750000 0.704819 Mo\n0.666669 0.250000 0.961851 Mo\n0.978606 0.750000 0.327590 Mo\n0.978617 0.250000 0.651018 Mo\n0.354721 0.750000 0.015648 Mo\n0.666670 0.861270 0.016270 S\n0.666671 0.638730 0.016270 S\n0.666666 0.138735 0.650399 S\n0.666665 0.361266 0.650399 S\n",
"nsites": 18,
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"elements": [
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"density": 6.675855721309039,
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"volume": 428.99844570089726,
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"formula_full": "Te8 Mo6 S4",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 63
},
{
"id": "jvasp-30689",
"created_at": "2022-09-04T14:38:34.099282Z",
"updated_at": "2022-09-04T14:38:34.099299Z",
"structure_string": "Sb2 F10\n1.0\n3.643082 -0.000000 0.000000\n-1.821540 5.412439 -0.000000\n-0.000000 0.000000 8.441252\nSb F\n2 10\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.465788 0.931576 0.250000 F\n0.534212 0.068424 0.750000 F\n0.080169 0.160336 0.584119 F\n0.919831 0.839664 0.415881 F\n0.339385 0.678770 0.913503 F\n0.660615 0.321231 0.086497 F\n0.660615 0.321231 0.413503 F\n0.339385 0.678770 0.586496 F\n0.080169 0.160336 0.915880 F\n0.919831 0.839664 0.084119 F\n",
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"density_atomic": 0.07209620734335553,
"volume": 166.44426166345258,
"volume_molar": 8.352923103596527,
"formula_full": "Sb2 F10",
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"spacegroup": 63
},
{
"id": "jvasp-20296",
"created_at": "2022-09-04T14:38:34.138088Z",
"updated_at": "2022-09-04T14:38:34.138105Z",
"structure_string": "Ba2 Zn10\n1.0\n5.401100 0.000000 0.000000\n-0.000000 6.638621 -1.688714\n-0.000000 -0.011510 6.850029\nBa Zn\n2 10\ndirect\n0.750000 0.332739 0.332739 Ba\n0.250000 0.667261 0.667262 Ba\n0.500000 0.205222 0.794778 Zn\n0.000000 0.794778 0.205223 Zn\n0.250000 0.079665 0.079665 Zn\n0.750000 0.920335 0.920336 Zn\n0.250000 0.464935 0.087337 Zn\n0.750000 0.535065 0.912664 Zn\n0.250000 0.087337 0.464935 Zn\n0.750000 0.912663 0.535065 Zn\n0.000000 0.205222 0.794778 Zn\n0.500000 0.794778 0.205223 Zn\n",
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],
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"spacegroup": 63
},
{
"id": "jvasp-21687",
"created_at": "2022-09-04T14:38:34.238637Z",
"updated_at": "2022-09-04T14:38:34.238656Z",
"structure_string": "Ca2 Ga6 Ni4\n1.0\n5.182414 0.000000 0.000000\n0.000000 6.097272 -1.299989\n0.000000 0.013515 6.234301\nCa Ga Ni\n2 6 4\ndirect\n0.250000 0.345024 0.345024 Ca\n0.749999 0.654976 0.654976 Ca\n0.749999 0.464392 0.096602 Ga\n0.749999 0.096603 0.464392 Ga\n0.250000 0.535608 0.903397 Ga\n0.749999 0.046560 0.046560 Ga\n0.250000 0.953441 0.953440 Ga\n0.250000 0.903398 0.535608 Ga\n0.500000 0.787803 0.212196 Ni\n0.000000 0.787803 0.212196 Ni\n0.000000 0.212197 0.787803 Ni\n0.500000 0.212197 0.787803 Ni\n",
"nsites": 12,
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],
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"density_atomic": 0.06088707629203983,
"volume": 197.08615901415584,
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"formula_full": "Ca2 Ga6 Ni4",
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"formula_anonymous": "AB2C3",
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"spacegroup": 63
},
{
"id": "jvasp-119091",
"created_at": "2022-09-04T14:38:34.225774Z",
"updated_at": "2022-09-04T14:38:34.225795Z",
"structure_string": "Mg4 Mn2 Ga6\n1.0\n5.051197 -0.002126 0.000000\n-2.194369 4.549652 0.000000\n0.000000 -0.000000 8.438482\nMg Mn Ga\n4 2 6\ndirect\n0.672569 0.327430 0.066319 Mg\n0.327431 0.672569 0.933680 Mg\n0.327431 0.672569 0.566319 Mg\n0.672569 0.327430 0.433681 Mg\n0.845622 0.154378 0.750000 Mn\n0.154378 0.845621 0.250000 Mn\n0.831190 0.639150 0.750000 Ga\n0.168810 0.360849 0.250000 Ga\n0.360849 0.168809 0.750000 Ga\n0.639151 0.831189 0.250000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
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"elements": [
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],
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"volume": 193.88697833140108,
"volume_molar": 9.73012229202306,
"formula_full": "Mg4 Mn2 Ga6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 63
}
]
}