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{
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"results": [
{
"id": "mp-757039",
"created_at": "2022-09-04T14:41:55.700209Z",
"structure_string": "Fe3 Co3 Sb2 O16\n1.0\n2.927988 5.095105 0.000000\n-2.927988 5.095105 0.000000\n0.000000 0.352562 9.262331\nFe Co Sb O\n3 3 2 16\ndirect\n0.165770 0.165770 0.212923 Fe\n0.331632 0.827918 0.709262 Fe\n0.827918 0.331632 0.709262 Fe\n0.169257 0.658564 0.213715 Co\n0.658564 0.169257 0.213715 Co\n0.828058 0.828058 0.717617 Co\n0.335112 0.335112 0.489151 Sb\n0.668763 0.668763 0.991702 Sb\n0.164195 0.667710 0.599268 O\n0.482585 0.482585 0.325148 O\n0.343755 0.343755 0.110729 O\n0.988454 0.988454 0.306552 O\n0.987938 0.987938 0.805843 O\n0.667710 0.164195 0.599268 O\n0.037313 0.497977 0.339818 O\n0.497977 0.037313 0.339818 O\n0.839054 0.839054 0.106736 O\n0.166040 0.166040 0.598227 O\n0.531730 0.967489 0.839256 O\n0.967489 0.531730 0.839256 O\n0.678774 0.678774 0.608028 O\n0.326648 0.836956 0.099673 O\n0.521247 0.521247 0.845363 O\n0.836956 0.326648 0.099673 O\n",
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"Sb",
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],
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"volume": 276.3584342628295,
"volume_molar": 6.9344557972665255,
"formula_full": "Fe3 Co3 Sb2 O16",
"formula_reduced": "Fe3Co3(SbO8)2",
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"energy": -166.93125787,
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"spacegroup": 8
},
{
"id": "mp-757180",
"created_at": "2022-09-04T14:44:16.793770Z",
"structure_string": "Ti3 Mn2 Co3 O16\n1.0\n2.913860 4.976939 0.000000\n-2.913860 4.976939 0.000000\n0.000000 0.221229 8.894762\nTi Mn Co O\n3 2 3 16\ndirect\n0.827698 0.323239 0.205961 Ti\n0.323239 0.827698 0.205961 Ti\n0.156224 0.156224 0.707103 Ti\n0.666580 0.666580 0.484910 Mn\n0.332850 0.332850 0.979202 Mn\n0.827689 0.827689 0.213440 Co\n0.664038 0.159997 0.707564 Co\n0.159997 0.664038 0.707564 Co\n0.829581 0.337800 0.603662 O\n0.522677 0.522677 0.345857 O\n0.674528 0.674528 0.099786 O\n0.992724 0.992724 0.318042 O\n0.988423 0.988423 0.816812 O\n0.337800 0.829581 0.603662 O\n0.956016 0.532270 0.342918 O\n0.532270 0.956016 0.342918 O\n0.172055 0.172055 0.103647 O\n0.836134 0.836134 0.606503 O\n0.481366 0.043304 0.840470 O\n0.043304 0.481366 0.840470 O\n0.339519 0.339519 0.603161 O\n0.659818 0.171132 0.100343 O\n0.477530 0.477530 0.831266 O\n0.171132 0.659818 0.100343 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O-Ti",
"density": 4.4171986777741905,
"density_atomic": 0.09302847773648987,
"volume": 257.9855178108127,
"volume_molar": 6.4734379262425055,
"formula_full": "Ti3 Mn2 Co3 O16",
"formula_reduced": "Ti3Mn2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -191.44406728,
"energy_per_atom": -7.976836136666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -172.20206728,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.816000Z",
"spacegroup": 8
},
{
"id": "mp-553969",
"created_at": "2022-09-04T14:46:08.470993Z",
"structure_string": "Na2 Te3 Mo3 O16\n1.0\n5.766510 5.246772 0.000000\n-5.766510 5.246772 0.000000\n0.000000 4.631049 5.887820\nNa Te Mo O\n2 3 3 16\ndirect\n0.932789 0.067211 0.500000 Na\n0.517090 0.482910 0.000000 Na\n0.013420 0.986580 0.000000 Te\n0.950357 0.608105 0.501320 Te\n0.391895 0.049643 0.498680 Te\n0.032207 0.513991 0.973820 Mo\n0.486009 0.967793 0.026180 Mo\n0.419400 0.580600 0.500000 Mo\n0.590817 0.845270 0.236187 O\n0.558052 0.830826 0.887398 O\n0.154730 0.409183 0.763813 O\n0.169174 0.441948 0.112602 O\n0.690904 0.187480 0.834745 O\n0.296068 0.760715 0.661171 O\n0.567276 0.539675 0.629847 O\n0.239285 0.703932 0.338829 O\n0.289073 0.039042 0.929382 O\n0.812520 0.309096 0.165255 O\n0.960958 0.710927 0.070618 O\n0.934491 0.869433 0.338751 O\n0.130567 0.065509 0.661249 O\n0.460325 0.432724 0.370153 O\n0.893384 0.634152 0.756762 O\n0.365848 0.106616 0.243238 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O-Te",
"density": 4.533035373735545,
"density_atomic": 0.06736300926299016,
"volume": 356.27862030780466,
"volume_molar": 8.939833338634143,
"formula_full": "Na2 Te3 Mo3 O16",
"formula_reduced": "Na2Te3Mo3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -167.81365929999998,
"energy_per_atom": -6.992235804166666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -147.2156593,
"band_gap": 2.2606,
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"updated_at": "2021-11-28T01:37:23.350000Z",
"spacegroup": 5
},
{
"id": "mp-757950",
"created_at": "2022-09-04T14:45:17.376596Z",
"structure_string": "Cr3 Fe3 Te2 O16\n1.0\n3.013281 5.213183 0.000000\n-3.013281 5.213183 0.000000\n0.000000 0.079332 9.206750\nCr Fe Te O\n3 3 2 16\ndirect\n0.340900 0.832415 0.786855 Cr\n0.832415 0.340900 0.786855 Cr\n0.172291 0.172291 0.282658 Cr\n0.832078 0.832078 0.794916 Fe\n0.171619 0.663937 0.294119 Fe\n0.663937 0.171619 0.294119 Fe\n0.668246 0.668246 0.512459 Te\n0.332389 0.332389 0.010049 Te\n0.351274 0.825716 0.401517 O\n0.523036 0.523036 0.656231 O\n0.662840 0.662840 0.890742 O\n0.004758 0.004758 0.704837 O\n0.007371 0.007371 0.205161 O\n0.825716 0.351274 0.401517 O\n0.521065 0.955671 0.653779 O\n0.955671 0.521065 0.653779 O\n0.173238 0.173238 0.900272 O\n0.826554 0.826554 0.401376 O\n0.043252 0.468664 0.153402 O\n0.468664 0.043252 0.153402 O\n0.324561 0.324561 0.392663 O\n0.171969 0.651855 0.901389 O\n0.473991 0.473991 0.150927 O\n0.651855 0.171969 0.901389 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Te",
"O"
],
"chemical_system": "Cr-Fe-O-Te",
"density": 4.791899370352982,
"density_atomic": 0.08297214010310908,
"volume": 289.2537178163094,
"volume_molar": 7.258027516846397,
"formula_full": "Cr3 Fe3 Te2 O16",
"formula_reduced": "Cr3Fe3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -180.74831686,
"energy_per_atom": -7.5311798691666665,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:03.607000Z",
"spacegroup": 8
},
{
"id": "mp-756097",
"created_at": "2022-09-04T14:46:39.920750Z",
"structure_string": "Cr3 Sb3 Te2 O16\n1.0\n3.095213 5.318908 0.000000\n-3.095213 5.318908 0.000000\n0.000000 0.003330 9.964414\nCr Sb Te O\n3 3 2 16\ndirect\n0.832064 0.336779 0.211488 Cr\n0.336779 0.832064 0.211488 Cr\n0.169230 0.169230 0.710911 Cr\n0.834887 0.834887 0.212764 Sb\n0.169567 0.668925 0.714014 Sb\n0.668925 0.169567 0.714014 Sb\n0.654828 0.654828 0.472621 Te\n0.321314 0.321314 0.000909 Te\n0.842044 0.309331 0.606067 O\n0.521133 0.521133 0.331277 O\n0.669767 0.669767 0.113521 O\n0.001160 0.001160 0.305807 O\n0.002813 0.002813 0.816931 O\n0.309331 0.842044 0.606067 O\n0.956071 0.522336 0.333924 O\n0.522336 0.956071 0.333924 O\n0.163138 0.163138 0.104977 O\n0.843471 0.843471 0.611407 O\n0.482262 0.042655 0.826941 O\n0.042655 0.482262 0.826941 O\n0.335959 0.335959 0.607136 O\n0.673584 0.158352 0.109001 O\n0.488630 0.488630 0.824634 O\n0.158352 0.673584 0.109001 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cr",
"Sb",
"Te",
"O"
],
"chemical_system": "Cr-O-Sb-Te",
"density": 5.225489837990775,
"density_atomic": 0.07315035928554996,
"volume": 328.09134820942614,
"volume_molar": 8.23255117106391,
"formula_full": "Cr3 Sb3 Te2 O16",
"formula_reduced": "Cr3Sb3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -170.72071137,
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"updated_at": "2021-11-28T01:37:48.266000Z",
"spacegroup": 8
},
{
"id": "mp-1200752",
"created_at": "2022-09-04T14:45:53.446660Z",
"structure_string": "K4 Cd6 S6 O32\n1.0\n0.000000 8.293310 0.000000\n0.000000 0.000000 9.682611\n9.522332 -4.146655 0.000000\nK Cd S O\n4 6 6 32\ndirect\n0.736402 0.554165 0.383488 K\n0.352914 0.554165 0.616512 K\n0.263598 0.054165 0.616512 K\n0.647086 0.054165 0.383488 K\n0.115983 0.491361 0.176537 Cd\n0.939446 0.491361 0.823463 Cd\n0.884017 0.991361 0.823463 Cd\n0.060554 0.991361 0.176537 Cd\n0.315262 0.776426 0.000000 Cd\n0.684738 0.276426 0.000000 Cd\n0.026987 0.771936 0.641945 S\n0.385042 0.771936 0.358055 S\n0.973013 0.271936 0.358055 S\n0.614958 0.271936 0.641945 S\n0.688659 0.619605 0.000000 S\n0.311341 0.119605 0.000000 S\n0.211504 0.767182 0.750329 O\n0.461175 0.767182 0.249671 O\n0.788496 0.267182 0.249671 O\n0.538825 0.267182 0.750329 O\n0.950027 0.912535 0.639613 O\n0.310413 0.912535 0.360387 O\n0.049973 0.412535 0.360387 O\n0.689587 0.412535 0.639613 O\n0.029009 0.743228 0.502694 O\n0.526315 0.743228 0.497306 O\n0.970991 0.243228 0.497306 O\n0.473685 0.243228 0.502694 O\n0.914623 0.667399 0.672832 O\n0.241791 0.667399 0.327168 O\n0.085377 0.167399 0.327168 O\n0.758209 0.167399 0.672832 O\n0.587908 0.746262 0.000000 O\n0.412092 0.246262 0.000000 O\n0.579971 0.496858 0.000000 O\n0.420029 0.996858 0.000000 O\n0.855130 0.621116 0.129340 O\n0.725790 0.621116 0.870660 O\n0.144870 0.121116 0.870660 O\n0.274210 0.121116 0.129340 O\n0.878821 0.905191 0.277246 O\n0.601575 0.905191 0.722754 O\n0.121179 0.405191 0.722754 O\n0.398425 0.405191 0.277246 O\n0.176754 0.577069 0.000000 O\n0.823246 0.077069 0.000000 O\n0.937993 0.360953 0.000000 O\n0.062007 0.860953 0.000000 O\n",
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],
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"volume": 764.6517785868259,
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"formula_full": "K4 Cd6 S6 O32",
"formula_reduced": "K2Cd3S3O16",
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"energy": -263.11244156,
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"updated_at": "2021-11-28T01:37:13.468000Z",
"spacegroup": 36
},
{
"id": "mp-771173",
"created_at": "2022-09-04T14:42:42.860234Z",
"structure_string": "Ti2 Mn3 Cr3 O16\n1.0\n2.905044 5.047277 0.000000\n-2.905044 5.047277 0.000000\n0.000000 0.009430 9.020690\nTi Mn Cr O\n2 3 3 16\ndirect\n0.328174 0.328174 0.495035 Ti\n0.665752 0.665752 0.993895 Ti\n0.168441 0.168441 0.212060 Mn\n0.337432 0.828172 0.712779 Mn\n0.828172 0.337432 0.712779 Mn\n0.169745 0.663253 0.208759 Cr\n0.663253 0.169745 0.208759 Cr\n0.831836 0.831836 0.710387 Cr\n0.162343 0.662270 0.602652 O\n0.475214 0.475214 0.334248 O\n0.329507 0.329507 0.101396 O\n0.001336 0.001336 0.313923 O\n0.001586 0.001586 0.816225 O\n0.662270 0.162343 0.602652 O\n0.044529 0.474754 0.334447 O\n0.474754 0.044529 0.334447 O\n0.829629 0.829629 0.103506 O\n0.165983 0.165983 0.600200 O\n0.521534 0.952989 0.833822 O\n0.952989 0.521534 0.833822 O\n0.661123 0.661123 0.601939 O\n0.334249 0.825902 0.101522 O\n0.519371 0.519371 0.835561 O\n0.825902 0.334249 0.101522 O\n",
"nsites": 24,
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"elements": [
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"Mn",
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"O"
],
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"density": 4.221619692421236,
"density_atomic": 0.09072597270585096,
"volume": 264.5328485792275,
"volume_molar": 6.637725207449475,
"formula_full": "Ti2 Mn3 Cr3 O16",
"formula_reduced": "Ti2Mn3Cr3O16",
"formula_anonymous": "A2B3C3D16",
"energy": -205.08788587,
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"updated_at": "2021-11-28T01:35:57.603000Z",
"spacegroup": 8
},
{
"id": "mp-753297",
"created_at": "2022-09-04T14:42:27.593755Z",
"structure_string": "V3 Cr3 Te2 O16\n1.0\n2.960477 5.111944 0.000000\n-2.960477 5.111944 0.000000\n0.000000 0.172001 9.429457\nV Cr Te O\n3 3 2 16\ndirect\n0.827125 0.827125 0.775882 V\n0.650470 0.179790 0.278945 V\n0.179790 0.650470 0.278945 V\n0.831174 0.342827 0.788808 Cr\n0.342827 0.831174 0.788808 Cr\n0.170312 0.170312 0.292540 Cr\n0.663851 0.663851 0.508528 Te\n0.332254 0.332254 0.004524 Te\n0.827217 0.339184 0.401169 O\n0.521933 0.521933 0.664406 O\n0.675632 0.675632 0.892747 O\n0.997143 0.997143 0.703381 O\n0.999337 0.999337 0.209115 O\n0.339184 0.827217 0.401169 O\n0.960976 0.523960 0.655707 O\n0.523960 0.960976 0.655707 O\n0.166844 0.166844 0.902047 O\n0.827840 0.827840 0.397078 O\n0.480998 0.043478 0.161722 O\n0.043478 0.480998 0.161722 O\n0.337691 0.337691 0.397687 O\n0.660394 0.168860 0.898560 O\n0.481098 0.481098 0.151917 O\n0.168860 0.660394 0.898560 O\n",
"nsites": 24,
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"elements": [
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],
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"volume_molar": 7.161502035756469,
"formula_full": "V3 Cr3 Te2 O16",
"formula_reduced": "V3Cr3(TeO8)2",
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"spacegroup": 8
},
{
"id": "mp-756766",
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"structure_string": "Mn3 Fe2 Sb3 O16\n1.0\n3.014739 5.292939 0.000000\n-3.014739 5.292939 0.000000\n0.000000 0.097873 9.137371\nMn Fe Sb O\n3 2 3 16\ndirect\n0.830225 0.830225 0.214003 Mn\n0.661783 0.166191 0.710290 Mn\n0.166191 0.661783 0.710290 Mn\n0.673919 0.673919 0.498528 Fe\n0.343748 0.343748 0.990598 Fe\n0.829572 0.334719 0.211531 Sb\n0.334719 0.829572 0.211531 Sb\n0.165427 0.165427 0.711753 Sb\n0.833374 0.331113 0.604265 O\n0.518928 0.518928 0.344179 O\n0.652965 0.652965 0.087585 O\n0.009991 0.009991 0.325972 O\n0.993247 0.993247 0.814129 O\n0.331113 0.833374 0.604265 O\n0.953692 0.520938 0.334989 O\n0.520938 0.953692 0.334989 O\n0.165507 0.165507 0.094975 O\n0.836429 0.836429 0.605331 O\n0.484126 0.045291 0.835012 O\n0.045291 0.484126 0.835012 O\n0.336976 0.336976 0.600595 O\n0.670918 0.165880 0.104472 O\n0.475527 0.475527 0.826941 O\n0.165880 0.670918 0.104472 O\n",
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{
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"created_at": "2022-09-04T14:42:09.203268Z",
"structure_string": "V3 Cr3 Sb2 O16\n1.0\n-5.938101 0.000000 0.000000\n2.957308 5.166688 0.000000\n-0.048309 -0.096725 -9.339978\nV Cr Sb O\n3 3 2 16\ndirect\n0.664006 0.830697 0.784243 V\n0.836183 0.175044 0.278531 V\n0.827594 0.665770 0.294701 V\n0.171970 0.340548 0.790561 Cr\n0.172684 0.832721 0.791270 Cr\n0.341612 0.168756 0.290619 Cr\n0.321942 0.658943 0.510977 Sb\n0.655736 0.331732 0.009651 Sb\n0.164662 0.332539 0.401081 O\n0.045099 0.522333 0.662957 O\n0.361420 0.682321 0.894909 O\n0.984302 0.991031 0.697241 O\n0.993045 0.000731 0.196379 O\n0.163102 0.825048 0.397500 O\n0.491954 0.532595 0.660869 O\n0.490590 0.957198 0.660340 O\n0.328029 0.166389 0.903737 O\n0.655203 0.820584 0.394837 O\n0.528784 0.043354 0.159021 O\n0.524994 0.480979 0.164725 O\n0.682446 0.334765 0.392603 O\n0.818942 0.161562 0.893787 O\n0.956654 0.483772 0.159159 O\n0.819045 0.660386 0.894580 O\n",
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"formula_full": "V3 Cr3 Sb2 O16",
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"spacegroup": 1
},
{
"id": "mp-772061",
"created_at": "2022-09-04T14:40:08.508215Z",
"structure_string": "Mn3 Cr3 Te2 O16\n1.0\n2.983641 5.154533 0.000000\n-2.983641 5.154533 0.000000\n0.000000 0.043641 9.216071\nMn Cr Te O\n3 3 2 16\ndirect\n0.831215 0.831215 0.210750 Mn\n0.665072 0.168011 0.709668 Mn\n0.168011 0.665072 0.709668 Mn\n0.830894 0.337578 0.210569 Cr\n0.337578 0.830894 0.210569 Cr\n0.169972 0.169972 0.711410 Cr\n0.664822 0.664822 0.486709 Te\n0.332360 0.332360 0.988693 Te\n0.828952 0.343693 0.596324 O\n0.521201 0.521201 0.345541 O\n0.671846 0.671846 0.109301 O\n0.995575 0.995575 0.303407 O\n0.995624 0.995624 0.801850 O\n0.343693 0.828952 0.596324 O\n0.958041 0.524622 0.342680 O\n0.524622 0.958041 0.342680 O\n0.171171 0.171171 0.095707 O\n0.823722 0.823722 0.597745 O\n0.478219 0.042903 0.844876 O\n0.042903 0.478219 0.844876 O\n0.339609 0.339609 0.611671 O\n0.655113 0.170056 0.097649 O\n0.480166 0.480166 0.849414 O\n0.170056 0.655113 0.097649 O\n",
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"O"
],
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"density_atomic": 0.08466414820973074,
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"formula_full": "Mn3 Cr3 Te2 O16",
"formula_reduced": "Mn3Cr3(TeO8)2",
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"spacegroup": 8
},
{
"id": "mp-770963",
"created_at": "2022-09-04T14:39:48.276951Z",
"structure_string": "V2 Ni3 Te3 O16\n1.0\n3.031181 5.271040 0.000000\n-3.031181 5.271040 0.000000\n0.000000 0.197954 9.215280\nV Ni Te O\n2 3 3 16\ndirect\n0.681349 0.681349 0.495019 V\n0.360144 0.360144 0.038849 V\n0.827243 0.827243 0.792589 Ni\n0.169274 0.668261 0.295332 Ni\n0.668261 0.169274 0.295332 Ni\n0.329023 0.826855 0.785205 Te\n0.826855 0.329023 0.785205 Te\n0.169424 0.169424 0.288398 Te\n0.346653 0.839667 0.400055 O\n0.513249 0.513249 0.660545 O\n0.650695 0.650695 0.904026 O\n0.000884 0.000884 0.675456 O\n0.010122 0.010122 0.193082 O\n0.839667 0.346653 0.400055 O\n0.504761 0.947154 0.664773 O\n0.947154 0.504761 0.664773 O\n0.157966 0.157966 0.890747 O\n0.824546 0.824546 0.407907 O\n0.050743 0.467560 0.151466 O\n0.467560 0.050743 0.151466 O\n0.323318 0.323318 0.398046 O\n0.174771 0.671983 0.896839 O\n0.484208 0.484208 0.152329 O\n0.671983 0.174771 0.896839 O\n",
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],
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"formula_full": "V2 Ni3 Te3 O16",
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}
]
}